data_5072 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5072 _Entry.Title ; CD3 Epsilon and gamma Ectodomain Fragment Complex in Single-Chain Construct ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-09 _Entry.Accession_date 2001-07-09 _Entry.Last_release_date 2001-07-09 _Entry.Original_release_date 2001-07-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Z.-Y. Sun . J . . 5072 2 K. Kim . S. . . 5072 3 G. Wagner . . . . 5072 4 E. Reinherz . L. . . 5072 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5072 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 564 5072 '15N chemical shifts' 160 5072 '1H chemical shifts' 1030 5072 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-07-17 . original BMRB . 5072 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1JBJ 'BMRB Entry Tracking System' 5072 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5072 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11439187 _Citation.Full_citation . _Citation.Title ; Mechanisms Contributing to T Cell Receptor Signaling and Assembly Revealed by the Solution Structure of an Ectodomain Fragment of the CD3eg Heterodimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 913 _Citation.Page_last 923 _Citation.Year 2001 _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 Z.Y. Sun . J . . 5072 1 2 K. Kim . S. . . 5072 1 3 G. Wagner . . . . 5072 1 4 E. Reinherz . L. . . 5072 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C2-set immunoglobulin superfamily' 5072 1 'H-bonded G strand pair' 5072 1 beta-sheet 5072 1 single-chain 5072 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CD3eg _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CD3eg _Assembly.Entry_ID 5072 _Assembly.ID 1 _Assembly.Name 'CD3 Epsilon and gamma Ectodomain Fragment Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5072 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'linked CD3 ectodomains' 1 $CD3eg . . . native . . . . . 5072 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . . . 5072 1 2 disulfide single . 1 . 1 CYS 129 129 SG . 1 . 1 CYS 170 170 SG . . . . . . . . . . . . 5072 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JBJ . . . . . . 5072 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CD3 Epsilon and gamma Ectodomain Fragment Complex' system 5072 1 CD3eg abbreviation 5072 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD3eg _Entity.Sf_category entity _Entity.Sf_framecode CD3eg _Entity.Entry_ID 5072 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CD3 epsilon and gamma ectodomain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDAENIEYKVSISGTSVELT CPLDSDENLKWEKNGQELPQ KHDKHLVLQDFSEVEDSGYY VCYTPASNKNTYLYLKARVG SADDAKKDAAKKDDAKKDDA KKDGSQTNKAKNLVQVDGSR GDGSVLLTCGLTDKTIKWLK DGSIISPLNATKNTWNLGNN AKDPRGTYQCQGAKETSNPL QVYYRM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20604 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JBJ . 'Cd3 Epsilon And Gamma Ectodomain Fragment Complex In Single- Chain Construct' . . . . . 100.00 186 100.00 100.00 4.94e-104 . . . . 5072 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CD3 epsilon and gamma ectodomain' common 5072 1 CD3eg abbreviation 5072 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 5072 1 2 . ASP . 5072 1 3 . ALA . 5072 1 4 . GLU . 5072 1 5 . ASN . 5072 1 6 . ILE . 5072 1 7 . GLU . 5072 1 8 . TYR . 5072 1 9 . LYS . 5072 1 10 . VAL . 5072 1 11 . SER . 5072 1 12 . ILE . 5072 1 13 . SER . 5072 1 14 . GLY . 5072 1 15 . THR . 5072 1 16 . SER . 5072 1 17 . VAL . 5072 1 18 . GLU . 5072 1 19 . LEU . 5072 1 20 . THR . 5072 1 21 . CYS . 5072 1 22 . PRO . 5072 1 23 . LEU . 5072 1 24 . ASP . 5072 1 25 . SER . 5072 1 26 . ASP . 5072 1 27 . GLU . 5072 1 28 . ASN . 5072 1 29 . LEU . 5072 1 30 . LYS . 5072 1 31 . TRP . 5072 1 32 . GLU . 5072 1 33 . LYS . 5072 1 34 . ASN . 5072 1 35 . GLY . 5072 1 36 . GLN . 5072 1 37 . GLU . 5072 1 38 . LEU . 5072 1 39 . PRO . 5072 1 40 . GLN . 5072 1 41 . LYS . 5072 1 42 . HIS . 5072 1 43 . ASP . 5072 1 44 . LYS . 5072 1 45 . HIS . 5072 1 46 . LEU . 5072 1 47 . VAL . 5072 1 48 . LEU . 5072 1 49 . GLN . 5072 1 50 . ASP . 5072 1 51 . PHE . 5072 1 52 . SER . 5072 1 53 . GLU . 5072 1 54 . VAL . 5072 1 55 . GLU . 5072 1 56 . ASP . 5072 1 57 . SER . 5072 1 58 . GLY . 5072 1 59 . TYR . 5072 1 60 . TYR . 5072 1 61 . VAL . 5072 1 62 . CYS . 5072 1 63 . TYR . 5072 1 64 . THR . 5072 1 65 . PRO . 5072 1 66 . ALA . 5072 1 67 . SER . 5072 1 68 . ASN . 5072 1 69 . LYS . 5072 1 70 . ASN . 5072 1 71 . THR . 5072 1 72 . TYR . 5072 1 73 . LEU . 5072 1 74 . TYR . 5072 1 75 . LEU . 5072 1 76 . LYS . 5072 1 77 . ALA . 5072 1 78 . ARG . 5072 1 79 . VAL . 5072 1 80 . GLY . 5072 1 81 . SER . 5072 1 82 . ALA . 5072 1 83 . ASP . 5072 1 84 . ASP . 5072 1 85 . ALA . 5072 1 86 . LYS . 5072 1 87 . LYS . 5072 1 88 . ASP . 5072 1 89 . ALA . 5072 1 90 . ALA . 5072 1 91 . LYS . 5072 1 92 . LYS . 5072 1 93 . ASP . 5072 1 94 . ASP . 5072 1 95 . ALA . 5072 1 96 . LYS . 5072 1 97 . LYS . 5072 1 98 . ASP . 5072 1 99 . ASP . 5072 1 100 . ALA . 5072 1 101 . LYS . 5072 1 102 . LYS . 5072 1 103 . ASP . 5072 1 104 . GLY . 5072 1 105 . SER . 5072 1 106 . GLN . 5072 1 107 . THR . 5072 1 108 . ASN . 5072 1 109 . LYS . 5072 1 110 . ALA . 5072 1 111 . LYS . 5072 1 112 . ASN . 5072 1 113 . LEU . 5072 1 114 . VAL . 5072 1 115 . GLN . 5072 1 116 . VAL . 5072 1 117 . ASP . 5072 1 118 . GLY . 5072 1 119 . SER . 5072 1 120 . ARG . 5072 1 121 . GLY . 5072 1 122 . ASP . 5072 1 123 . GLY . 5072 1 124 . SER . 5072 1 125 . VAL . 5072 1 126 . LEU . 5072 1 127 . LEU . 5072 1 128 . THR . 5072 1 129 . CYS . 5072 1 130 . GLY . 5072 1 131 . LEU . 5072 1 132 . THR . 5072 1 133 . ASP . 5072 1 134 . LYS . 5072 1 135 . THR . 5072 1 136 . ILE . 5072 1 137 . LYS . 5072 1 138 . TRP . 5072 1 139 . LEU . 5072 1 140 . LYS . 5072 1 141 . ASP . 5072 1 142 . GLY . 5072 1 143 . SER . 5072 1 144 . ILE . 5072 1 145 . ILE . 5072 1 146 . SER . 5072 1 147 . PRO . 5072 1 148 . LEU . 5072 1 149 . ASN . 5072 1 150 . ALA . 5072 1 151 . THR . 5072 1 152 . LYS . 5072 1 153 . ASN . 5072 1 154 . THR . 5072 1 155 . TRP . 5072 1 156 . ASN . 5072 1 157 . LEU . 5072 1 158 . GLY . 5072 1 159 . ASN . 5072 1 160 . ASN . 5072 1 161 . ALA . 5072 1 162 . LYS . 5072 1 163 . ASP . 5072 1 164 . PRO . 5072 1 165 . ARG . 5072 1 166 . GLY . 5072 1 167 . THR . 5072 1 168 . TYR . 5072 1 169 . GLN . 5072 1 170 . CYS . 5072 1 171 . GLN . 5072 1 172 . GLY . 5072 1 173 . ALA . 5072 1 174 . LYS . 5072 1 175 . GLU . 5072 1 176 . THR . 5072 1 177 . SER . 5072 1 178 . ASN . 5072 1 179 . PRO . 5072 1 180 . LEU . 5072 1 181 . GLN . 5072 1 182 . VAL . 5072 1 183 . TYR . 5072 1 184 . TYR . 5072 1 185 . ARG . 5072 1 186 . MET . 5072 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 . ASP 1 1 5072 1 . ASP 2 2 5072 1 . ALA 3 3 5072 1 . GLU 4 4 5072 1 . ASN 5 5 5072 1 . ILE 6 6 5072 1 . GLU 7 7 5072 1 . TYR 8 8 5072 1 . LYS 9 9 5072 1 . VAL 10 10 5072 1 . SER 11 11 5072 1 . ILE 12 12 5072 1 . SER 13 13 5072 1 . GLY 14 14 5072 1 . THR 15 15 5072 1 . SER 16 16 5072 1 . VAL 17 17 5072 1 . GLU 18 18 5072 1 . LEU 19 19 5072 1 . THR 20 20 5072 1 . CYS 21 21 5072 1 . PRO 22 22 5072 1 . LEU 23 23 5072 1 . ASP 24 24 5072 1 . SER 25 25 5072 1 . ASP 26 26 5072 1 . GLU 27 27 5072 1 . ASN 28 28 5072 1 . LEU 29 29 5072 1 . LYS 30 30 5072 1 . TRP 31 31 5072 1 . GLU 32 32 5072 1 . LYS 33 33 5072 1 . ASN 34 34 5072 1 . GLY 35 35 5072 1 . GLN 36 36 5072 1 . GLU 37 37 5072 1 . LEU 38 38 5072 1 . PRO 39 39 5072 1 . GLN 40 40 5072 1 . LYS 41 41 5072 1 . HIS 42 42 5072 1 . ASP 43 43 5072 1 . LYS 44 44 5072 1 . HIS 45 45 5072 1 . LEU 46 46 5072 1 . VAL 47 47 5072 1 . LEU 48 48 5072 1 . GLN 49 49 5072 1 . ASP 50 50 5072 1 . PHE 51 51 5072 1 . SER 52 52 5072 1 . GLU 53 53 5072 1 . VAL 54 54 5072 1 . GLU 55 55 5072 1 . ASP 56 56 5072 1 . SER 57 57 5072 1 . GLY 58 58 5072 1 . TYR 59 59 5072 1 . TYR 60 60 5072 1 . VAL 61 61 5072 1 . CYS 62 62 5072 1 . TYR 63 63 5072 1 . THR 64 64 5072 1 . PRO 65 65 5072 1 . ALA 66 66 5072 1 . SER 67 67 5072 1 . ASN 68 68 5072 1 . LYS 69 69 5072 1 . ASN 70 70 5072 1 . THR 71 71 5072 1 . TYR 72 72 5072 1 . LEU 73 73 5072 1 . TYR 74 74 5072 1 . LEU 75 75 5072 1 . LYS 76 76 5072 1 . ALA 77 77 5072 1 . ARG 78 78 5072 1 . VAL 79 79 5072 1 . GLY 80 80 5072 1 . SER 81 81 5072 1 . ALA 82 82 5072 1 . ASP 83 83 5072 1 . ASP 84 84 5072 1 . ALA 85 85 5072 1 . LYS 86 86 5072 1 . LYS 87 87 5072 1 . ASP 88 88 5072 1 . ALA 89 89 5072 1 . ALA 90 90 5072 1 . LYS 91 91 5072 1 . LYS 92 92 5072 1 . ASP 93 93 5072 1 . ASP 94 94 5072 1 . ALA 95 95 5072 1 . LYS 96 96 5072 1 . LYS 97 97 5072 1 . ASP 98 98 5072 1 . ASP 99 99 5072 1 . ALA 100 100 5072 1 . LYS 101 101 5072 1 . LYS 102 102 5072 1 . ASP 103 103 5072 1 . GLY 104 104 5072 1 . SER 105 105 5072 1 . GLN 106 106 5072 1 . THR 107 107 5072 1 . ASN 108 108 5072 1 . LYS 109 109 5072 1 . ALA 110 110 5072 1 . LYS 111 111 5072 1 . ASN 112 112 5072 1 . LEU 113 113 5072 1 . VAL 114 114 5072 1 . GLN 115 115 5072 1 . VAL 116 116 5072 1 . ASP 117 117 5072 1 . GLY 118 118 5072 1 . SER 119 119 5072 1 . ARG 120 120 5072 1 . GLY 121 121 5072 1 . ASP 122 122 5072 1 . GLY 123 123 5072 1 . SER 124 124 5072 1 . VAL 125 125 5072 1 . LEU 126 126 5072 1 . LEU 127 127 5072 1 . THR 128 128 5072 1 . CYS 129 129 5072 1 . GLY 130 130 5072 1 . LEU 131 131 5072 1 . THR 132 132 5072 1 . ASP 133 133 5072 1 . LYS 134 134 5072 1 . THR 135 135 5072 1 . ILE 136 136 5072 1 . LYS 137 137 5072 1 . TRP 138 138 5072 1 . LEU 139 139 5072 1 . LYS 140 140 5072 1 . ASP 141 141 5072 1 . GLY 142 142 5072 1 . SER 143 143 5072 1 . ILE 144 144 5072 1 . ILE 145 145 5072 1 . SER 146 146 5072 1 . PRO 147 147 5072 1 . LEU 148 148 5072 1 . ASN 149 149 5072 1 . ALA 150 150 5072 1 . THR 151 151 5072 1 . LYS 152 152 5072 1 . ASN 153 153 5072 1 . THR 154 154 5072 1 . TRP 155 155 5072 1 . ASN 156 156 5072 1 . LEU 157 157 5072 1 . GLY 158 158 5072 1 . ASN 159 159 5072 1 . ASN 160 160 5072 1 . ALA 161 161 5072 1 . LYS 162 162 5072 1 . ASP 163 163 5072 1 . PRO 164 164 5072 1 . ARG 165 165 5072 1 . GLY 166 166 5072 1 . THR 167 167 5072 1 . TYR 168 168 5072 1 . GLN 169 169 5072 1 . CYS 170 170 5072 1 . GLN 171 171 5072 1 . GLY 172 172 5072 1 . ALA 173 173 5072 1 . LYS 174 174 5072 1 . GLU 175 175 5072 1 . THR 176 176 5072 1 . SER 177 177 5072 1 . ASN 178 178 5072 1 . PRO 179 179 5072 1 . LEU 180 180 5072 1 . GLN 181 181 5072 1 . VAL 182 182 5072 1 . TYR 183 183 5072 1 . TYR 184 184 5072 1 . ARG 185 185 5072 1 . MET 186 186 5072 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 5072 _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 $CD3eg . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . T-lymphocyte . . . . CD3e/CD3g . 5072 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 5072 _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 $CD3eg . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli B834(DE3) . . plasmid . . pET-11a . . 'Part of a single-chain construct.' 5072 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5072 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' '[U-15N; U-13C; U-2H]' . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 1 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 1 3 H2O . . . . . . . 90 . . % . . . . 5072 1 4 D2O . . . . . . . 10 . . % . . . . 5072 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5072 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' . . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 2 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 2 3 D2O . . . . . . . 100 . . % . . . . 5072 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5072 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' '[U-15N; U-13C; U-70% 2H]' . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 3 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 3 3 H2O . . . . . . . 90 . . % . . . . 5072 3 4 D2O . . . . . . . 10 . . % . . . . 5072 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5072 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' [U-15N] . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 4 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 4 3 H2O . . . . . . . 90 . . % . . . . 5072 4 4 D2O . . . . . . . 10 . . % . . . . 5072 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 5072 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' [U-13C] . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 5 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 5 3 D2O . . . . . . . 100 . . % . . . . 5072 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 5072 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CD3 epsilon and gamma ectodomain' '[U-10% 13C]' . . 1 $CD3eg . . 0.5 . . mM . . . . 5072 6 2 'sodium acetate' . . . . . . . 5 . . mM . . . . 5072 6 3 D2O . . . . . . . 100 . . % . . . . 5072 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5072 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 5072 1 pH 4.5 0.1 n/a 5072 1 pressure 1 . atm 5072 1 temperature 298 1 K 5072 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 5072 _Software.ID 1 _Software.Type . _Software.Name PROSA _Software.Version 3.7 _Software.DOI . _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5072 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5072 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version 1.3.13 _Software.DOI . _Software.Details Bartels loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5072 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5072 _Software.ID 3 _Software.Type . _Software.Name DYANA _Software.Version 1.4 _Software.DOI . _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5072 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5072 _Software.ID 4 _Software.Type . _Software.Name X-PLOR _Software.Version 3.1 _Software.DOI . _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5072 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5072 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5072 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5072 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 750 . . . 5072 1 2 NMR_spectrometer_2 BRUKER AVANCE . 500 . . . 5072 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 5072 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 3 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 4 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 7 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 8 2D-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 9 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 10 15N-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 11 15N-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 12 13C-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 13 13C-HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 14 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 15 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 16 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 17 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5072 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5072 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.0 . indirect 0.251449530 . . . . . 5072 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . 5072 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5072 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5072 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA . . . 5072 1 2 HN(CO)CA . . . 5072 1 3 HN(CA)CB . . . 5072 1 4 HN(COCA)CB . . . 5072 1 5 HNCO . . . 5072 1 6 HN(CA)CO . . . 5072 1 7 2D-NOESY . . . 5072 1 8 2D-TOCSY . . . 5072 1 9 H(CCO)NH . . . 5072 1 10 15N-NOESY . . . 5072 1 11 15N-TOCSY . . . 5072 1 12 13C-NOESY . . . 5072 1 13 13C-HCCHTOCSY . . . 5072 1 14 13C-HSQC . . . 5072 1 15 15N-HSQC . . . 5072 1 16 HNHA . . . 5072 1 17 HNHB . . . 5072 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ASP CA C 13 53.586 0.000 . 1 . . . . . . . . . 5072 1 2 . 1 1 2 2 ASP HA H 1 4.542 0.000 . 1 . . . . . . . . . 5072 1 3 . 1 1 2 2 ASP CB C 13 39.635 0.000 . 1 . . . . . . . . . 5072 1 4 . 1 1 2 2 ASP HB2 H 1 2.716 0.000 . 1 . . . . . . . . . 5072 1 5 . 1 1 2 2 ASP HB3 H 1 2.716 0.000 . 1 . . . . . . . . . 5072 1 6 . 1 1 2 2 ASP C C 13 175.657 0.000 . 1 . . . . . . . . . 5072 1 7 . 1 1 3 3 ALA N N 15 123.583 0.000 . 1 . . . . . . . . . 5072 1 8 . 1 1 3 3 ALA H H 1 8.304 0.000 . 1 . . . . . . . . . 5072 1 9 . 1 1 3 3 ALA CA C 13 52.234 0.000 . 1 . . . . . . . . . 5072 1 10 . 1 1 3 3 ALA HA H 1 4.231 0.000 . 1 . . . . . . . . . 5072 1 11 . 1 1 3 3 ALA HB1 H 1 1.359 0.000 . 1 . . . . . . . . . 5072 1 12 . 1 1 3 3 ALA HB2 H 1 1.359 0.000 . 1 . . . . . . . . . 5072 1 13 . 1 1 3 3 ALA HB3 H 1 1.359 0.000 . 1 . . . . . . . . . 5072 1 14 . 1 1 3 3 ALA CB C 13 17.767 0.000 . 1 . . . . . . . . . 5072 1 15 . 1 1 3 3 ALA C C 13 177.585 0.000 . 1 . . . . . . . . . 5072 1 16 . 1 1 4 4 GLU N N 15 117.677 0.000 . 1 . . . . . . . . . 5072 1 17 . 1 1 4 4 GLU H H 1 8.187 0.000 . 1 . . . . . . . . . 5072 1 18 . 1 1 4 4 GLU CA C 13 55.741 0.000 . 1 . . . . . . . . . 5072 1 19 . 1 1 4 4 GLU HA H 1 4.208 0.000 . 1 . . . . . . . . . 5072 1 20 . 1 1 4 4 GLU CB C 13 28.671 0.000 . 1 . . . . . . . . . 5072 1 21 . 1 1 4 4 GLU HB2 H 1 2.037 0.000 . 2 . . . . . . . . . 5072 1 22 . 1 1 4 4 GLU HB3 H 1 1.954 0.000 . 2 . . . . . . . . . 5072 1 23 . 1 1 4 4 GLU CG C 13 33.866 0.000 . 1 . . . . . . . . . 5072 1 24 . 1 1 4 4 GLU HG2 H 1 2.318 0.000 . 1 . . . . . . . . . 5072 1 25 . 1 1 4 4 GLU HG3 H 1 2.318 0.000 . 1 . . . . . . . . . 5072 1 26 . 1 1 4 4 GLU C C 13 175.949 0.000 . 1 . . . . . . . . . 5072 1 27 . 1 1 5 5 ASN N N 15 118.521 0.000 . 1 . . . . . . . . . 5072 1 28 . 1 1 5 5 ASN H H 1 8.253 0.000 . 1 . . . . . . . . . 5072 1 29 . 1 1 5 5 ASN CA C 13 52.765 0.000 . 1 . . . . . . . . . 5072 1 30 . 1 1 5 5 ASN HA H 1 4.709 0.000 . 1 . . . . . . . . . 5072 1 31 . 1 1 5 5 ASN CB C 13 37.823 0.000 . 1 . . . . . . . . . 5072 1 32 . 1 1 5 5 ASN HB2 H 1 2.768 0.000 . 1 . . . . . . . . . 5072 1 33 . 1 1 5 5 ASN HB3 H 1 2.768 0.000 . 1 . . . . . . . . . 5072 1 34 . 1 1 5 5 ASN ND2 N 15 112.861 0.000 . 1 . . . . . . . . . 5072 1 35 . 1 1 5 5 ASN HD21 H 1 7.663 0.000 . 2 . . . . . . . . . 5072 1 36 . 1 1 5 5 ASN HD22 H 1 6.850 0.000 . 2 . . . . . . . . . 5072 1 37 . 1 1 5 5 ASN C C 13 174.522 0.000 . 1 . . . . . . . . . 5072 1 38 . 1 1 6 6 ILE N N 15 117.567 0.000 . 1 . . . . . . . . . 5072 1 39 . 1 1 6 6 ILE H H 1 7.926 0.000 . 1 . . . . . . . . . 5072 1 40 . 1 1 6 6 ILE CA C 13 60.082 0.000 . 1 . . . . . . . . . 5072 1 41 . 1 1 6 6 ILE HA H 1 4.246 0.000 . 1 . . . . . . . . . 5072 1 42 . 1 1 6 6 ILE CB C 13 37.933 0.000 . 1 . . . . . . . . . 5072 1 43 . 1 1 6 6 ILE HB H 1 1.925 0.000 . 1 . . . . . . . . . 5072 1 44 . 1 1 6 6 ILE HG21 H 1 0.851 0.000 . 1 . . . . . . . . . 5072 1 45 . 1 1 6 6 ILE HG22 H 1 0.851 0.000 . 1 . . . . . . . . . 5072 1 46 . 1 1 6 6 ILE HG23 H 1 0.851 0.000 . 1 . . . . . . . . . 5072 1 47 . 1 1 6 6 ILE CG2 C 13 16.879 0.000 . 1 . . . . . . . . . 5072 1 48 . 1 1 6 6 ILE CG1 C 13 25.902 0.000 . 1 . . . . . . . . . 5072 1 49 . 1 1 6 6 ILE HG12 H 1 1.350 0.000 . 2 . . . . . . . . . 5072 1 50 . 1 1 6 6 ILE HG13 H 1 1.136 0.000 . 2 . . . . . . . . . 5072 1 51 . 1 1 6 6 ILE HD11 H 1 0.816 0.000 . 1 . . . . . . . . . 5072 1 52 . 1 1 6 6 ILE HD12 H 1 0.816 0.000 . 1 . . . . . . . . . 5072 1 53 . 1 1 6 6 ILE HD13 H 1 0.816 0.000 . 1 . . . . . . . . . 5072 1 54 . 1 1 6 6 ILE CD1 C 13 12.230 0.000 . 1 . . . . . . . . . 5072 1 55 . 1 1 6 6 ILE C C 13 174.973 0.000 . 1 . . . . . . . . . 5072 1 56 . 1 1 7 7 GLU N N 15 120.752 0.000 . 1 . . . . . . . . . 5072 1 57 . 1 1 7 7 GLU H H 1 7.816 0.000 . 1 . . . . . . . . . 5072 1 58 . 1 1 7 7 GLU CA C 13 54.909 0.000 . 1 . . . . . . . . . 5072 1 59 . 1 1 7 7 GLU HA H 1 4.518 0.000 . 1 . . . . . . . . . 5072 1 60 . 1 1 7 7 GLU CB C 13 29.957 0.000 . 1 . . . . . . . . . 5072 1 61 . 1 1 7 7 GLU HB2 H 1 2.090 0.000 . 2 . . . . . . . . . 5072 1 62 . 1 1 7 7 GLU HB3 H 1 1.941 0.000 . 2 . . . . . . . . . 5072 1 63 . 1 1 7 7 GLU HG2 H 1 2.314 0.000 . 1 . . . . . . . . . 5072 1 64 . 1 1 7 7 GLU HG3 H 1 2.314 0.000 . 1 . . . . . . . . . 5072 1 65 . 1 1 7 7 GLU C C 13 177.090 0.000 . 1 . . . . . . . . . 5072 1 66 . 1 1 8 8 TYR N N 15 121.052 0.000 . 1 . . . . . . . . . 5072 1 67 . 1 1 8 8 TYR H H 1 10.371 0.000 . 1 . . . . . . . . . 5072 1 68 . 1 1 8 8 TYR CA C 13 57.886 0.000 . 1 . . . . . . . . . 5072 1 69 . 1 1 8 8 TYR HA H 1 4.558 0.000 . 1 . . . . . . . . . 5072 1 70 . 1 1 8 8 TYR CB C 13 38.029 0.000 . 1 . . . . . . . . . 5072 1 71 . 1 1 8 8 TYR HB2 H 1 2.887 0.000 . 2 . . . . . . . . . 5072 1 72 . 1 1 8 8 TYR HB3 H 1 2.560 0.000 . 2 . . . . . . . . . 5072 1 73 . 1 1 8 8 TYR HD1 H 1 7.288 0.000 . 1 . . . . . . . . . 5072 1 74 . 1 1 8 8 TYR HE1 H 1 6.825 0.000 . 1 . . . . . . . . . 5072 1 75 . 1 1 8 8 TYR HE2 H 1 6.825 0.000 . 1 . . . . . . . . . 5072 1 76 . 1 1 8 8 TYR HD2 H 1 7.288 0.000 . 1 . . . . . . . . . 5072 1 77 . 1 1 8 8 TYR C C 13 177.030 0.000 . 1 . . . . . . . . . 5072 1 78 . 1 1 9 9 LYS N N 15 120.771 0.000 . 1 . . . . . . . . . 5072 1 79 . 1 1 9 9 LYS H H 1 7.520 0.000 . 1 . . . . . . . . . 5072 1 80 . 1 1 9 9 LYS CA C 13 54.258 0.000 . 1 . . . . . . . . . 5072 1 81 . 1 1 9 9 LYS HA H 1 4.663 0.000 . 1 . . . . . . . . . 5072 1 82 . 1 1 9 9 LYS CB C 13 32.111 0.000 . 1 . . . . . . . . . 5072 1 83 . 1 1 9 9 LYS HB2 H 1 1.840 0.000 . 1 . . . . . . . . . 5072 1 84 . 1 1 9 9 LYS HB3 H 1 1.840 0.000 . 1 . . . . . . . . . 5072 1 85 . 1 1 9 9 LYS HG2 H 1 1.399 0.000 . 1 . . . . . . . . . 5072 1 86 . 1 1 9 9 LYS HG3 H 1 1.399 0.000 . 1 . . . . . . . . . 5072 1 87 . 1 1 9 9 LYS HD2 H 1 1.625 0.000 . 1 . . . . . . . . . 5072 1 88 . 1 1 9 9 LYS HD3 H 1 1.625 0.000 . 1 . . . . . . . . . 5072 1 89 . 1 1 9 9 LYS HE2 H 1 2.971 0.000 . 1 . . . . . . . . . 5072 1 90 . 1 1 9 9 LYS HE3 H 1 2.971 0.000 . 1 . . . . . . . . . 5072 1 91 . 1 1 9 9 LYS C C 13 174.778 0.000 . 1 . . . . . . . . . 5072 1 92 . 1 1 10 10 VAL N N 15 123.583 0.000 . 1 . . . . . . . . . 5072 1 93 . 1 1 10 10 VAL H H 1 8.385 0.000 . 1 . . . . . . . . . 5072 1 94 . 1 1 10 10 VAL CA C 13 60.355 0.000 . 1 . . . . . . . . . 5072 1 95 . 1 1 10 10 VAL HA H 1 4.443 0.000 . 1 . . . . . . . . . 5072 1 96 . 1 1 10 10 VAL CB C 13 33.285 0.000 . 1 . . . . . . . . . 5072 1 97 . 1 1 10 10 VAL HB H 1 1.071 0.000 . 1 . . . . . . . . . 5072 1 98 . 1 1 10 10 VAL HG11 H 1 -0.140 0.000 . 2 . . . . . . . . . 5072 1 99 . 1 1 10 10 VAL HG12 H 1 -0.140 0.000 . 2 . . . . . . . . . 5072 1 100 . 1 1 10 10 VAL HG13 H 1 -0.140 0.000 . 2 . . . . . . . . . 5072 1 101 . 1 1 10 10 VAL HG21 H 1 0.175 0.000 . 2 . . . . . . . . . 5072 1 102 . 1 1 10 10 VAL HG22 H 1 0.175 0.000 . 2 . . . . . . . . . 5072 1 103 . 1 1 10 10 VAL HG23 H 1 0.175 0.000 . 2 . . . . . . . . . 5072 1 104 . 1 1 10 10 VAL CG1 C 13 19.339 0.000 . 1 . . . . . . . . . 5072 1 105 . 1 1 10 10 VAL CG2 C 13 18.793 0.000 . 1 . . . . . . . . . 5072 1 106 . 1 1 10 10 VAL C C 13 174.913 0.000 . 1 . . . . . . . . . 5072 1 107 . 1 1 11 11 SER N N 15 121.615 0.000 . 1 . . . . . . . . . 5072 1 108 . 1 1 11 11 SER H H 1 8.700 0.000 . 1 . . . . . . . . . 5072 1 109 . 1 1 11 11 SER CA C 13 55.741 0.000 . 1 . . . . . . . . . 5072 1 110 . 1 1 11 11 SER HA H 1 4.706 0.000 . 1 . . . . . . . . . 5072 1 111 . 1 1 11 11 SER CB C 13 64.218 0.000 . 1 . . . . . . . . . 5072 1 112 . 1 1 11 11 SER HB2 H 1 3.647 0.000 . 2 . . . . . . . . . 5072 1 113 . 1 1 11 11 SER HB3 H 1 3.575 0.000 . 2 . . . . . . . . . 5072 1 114 . 1 1 11 11 SER C C 13 172.270 0.000 . 1 . . . . . . . . . 5072 1 115 . 1 1 12 12 ILE N N 15 126.717 0.000 . 1 . . . . . . . . . 5072 1 116 . 1 1 12 12 ILE H H 1 8.670 0.000 . 1 . . . . . . . . . 5072 1 117 . 1 1 12 12 ILE CA C 13 60.082 0.000 . 1 . . . . . . . . . 5072 1 118 . 1 1 12 12 ILE HA H 1 4.494 0.000 . 1 . . . . . . . . . 5072 1 119 . 1 1 12 12 ILE CB C 13 38.480 0.000 . 1 . . . . . . . . . 5072 1 120 . 1 1 12 12 ILE HB H 1 1.630 0.000 . 1 . . . . . . . . . 5072 1 121 . 1 1 12 12 ILE HG21 H 1 0.700 0.000 . 1 . . . . . . . . . 5072 1 122 . 1 1 12 12 ILE HG22 H 1 0.700 0.000 . 1 . . . . . . . . . 5072 1 123 . 1 1 12 12 ILE HG23 H 1 0.700 0.000 . 1 . . . . . . . . . 5072 1 124 . 1 1 12 12 ILE CG2 C 13 16.332 0.000 . 1 . . . . . . . . . 5072 1 125 . 1 1 12 12 ILE HG12 H 1 1.320 0.000 . 1 . . . . . . . . . 5072 1 126 . 1 1 12 12 ILE HG13 H 1 1.320 0.000 . 1 . . . . . . . . . 5072 1 127 . 1 1 12 12 ILE HD11 H 1 0.597 0.000 . 1 . . . . . . . . . 5072 1 128 . 1 1 12 12 ILE HD12 H 1 0.597 0.000 . 1 . . . . . . . . . 5072 1 129 . 1 1 12 12 ILE HD13 H 1 0.597 0.000 . 1 . . . . . . . . . 5072 1 130 . 1 1 12 12 ILE CD1 C 13 11.957 0.000 . 1 . . . . . . . . . 5072 1 131 . 1 1 12 12 ILE C C 13 175.331 0.000 . 1 . . . . . . . . . 5072 1 132 . 1 1 13 13 SER N N 15 123.451 0.000 . 1 . . . . . . . . . 5072 1 133 . 1 1 13 13 SER H H 1 8.433 0.000 . 1 . . . . . . . . . 5072 1 134 . 1 1 13 13 SER CA C 13 55.468 0.000 . 1 . . . . . . . . . 5072 1 135 . 1 1 13 13 SER HA H 1 4.612 0.000 . 1 . . . . . . . . . 5072 1 136 . 1 1 13 13 SER CB C 13 62.946 0.000 . 1 . . . . . . . . . 5072 1 137 . 1 1 13 13 SER HB2 H 1 3.679 0.000 . 2 . . . . . . . . . 5072 1 138 . 1 1 13 13 SER HB3 H 1 3.571 0.000 . 2 . . . . . . . . . 5072 1 139 . 1 1 13 13 SER C C 13 174.312 0.000 . 1 . . . . . . . . . 5072 1 140 . 1 1 14 14 GLY N N 15 117.677 0.000 . 1 . . . . . . . . . 5072 1 141 . 1 1 14 14 GLY H H 1 9.103 0.000 . 1 . . . . . . . . . 5072 1 142 . 1 1 14 14 GLY CA C 13 46.171 0.000 . 1 . . . . . . . . . 5072 1 143 . 1 1 14 14 GLY HA2 H 1 4.104 0.000 . 2 . . . . . . . . . 5072 1 144 . 1 1 14 14 GLY HA3 H 1 3.667 0.000 . 2 . . . . . . . . . 5072 1 145 . 1 1 14 14 GLY C C 13 174.387 0.000 . 1 . . . . . . . . . 5072 1 146 . 1 1 15 15 THR N N 15 115.427 0.000 . 1 . . . . . . . . . 5072 1 147 . 1 1 15 15 THR H H 1 8.605 0.000 . 1 . . . . . . . . . 5072 1 148 . 1 1 15 15 THR CA C 13 60.116 0.000 . 1 . . . . . . . . . 5072 1 149 . 1 1 15 15 THR HA H 1 4.351 0.000 . 1 . . . . . . . . . 5072 1 150 . 1 1 15 15 THR CB C 13 68.319 0.000 . 1 . . . . . . . . . 5072 1 151 . 1 1 15 15 THR HB H 1 4.820 0.000 . 1 . . . . . . . . . 5072 1 152 . 1 1 15 15 THR HG21 H 1 1.164 0.000 . 1 . . . . . . . . . 5072 1 153 . 1 1 15 15 THR HG22 H 1 1.164 0.000 . 1 . . . . . . . . . 5072 1 154 . 1 1 15 15 THR HG23 H 1 1.164 0.000 . 1 . . . . . . . . . 5072 1 155 . 1 1 15 15 THR CG2 C 13 20.741 0.000 . 1 . . . . . . . . . 5072 1 156 . 1 1 15 15 THR C C 13 172.946 0.000 . 1 . . . . . . . . . 5072 1 157 . 1 1 16 16 SER N N 15 116.833 0.000 . 1 . . . . . . . . . 5072 1 158 . 1 1 16 16 SER H H 1 8.224 0.000 . 1 . . . . . . . . . 5072 1 159 . 1 1 16 16 SER CA C 13 56.288 0.000 . 1 . . . . . . . . . 5072 1 160 . 1 1 16 16 SER HA H 1 5.322 0.000 . 1 . . . . . . . . . 5072 1 161 . 1 1 16 16 SER CB C 13 64.491 0.000 . 1 . . . . . . . . . 5072 1 162 . 1 1 16 16 SER HB2 H 1 3.814 0.000 . 2 . . . . . . . . . 5072 1 163 . 1 1 16 16 SER HB3 H 1 3.610 0.000 . 2 . . . . . . . . . 5072 1 164 . 1 1 16 16 SER C C 13 172.285 0.000 . 1 . . . . . . . . . 5072 1 165 . 1 1 17 17 VAL N N 15 123.609 0.000 . 1 . . . . . . . . . 5072 1 166 . 1 1 17 17 VAL H H 1 8.226 0.000 . 1 . . . . . . . . . 5072 1 167 . 1 1 17 17 VAL CA C 13 60.082 0.000 . 1 . . . . . . . . . 5072 1 168 . 1 1 17 17 VAL HA H 1 4.285 0.000 . 1 . . . . . . . . . 5072 1 169 . 1 1 17 17 VAL CB C 13 33.558 0.000 . 1 . . . . . . . . . 5072 1 170 . 1 1 17 17 VAL HB H 1 1.515 0.000 . 1 . . . . . . . . . 5072 1 171 . 1 1 17 17 VAL HG11 H 1 0.227 0.000 . 2 . . . . . . . . . 5072 1 172 . 1 1 17 17 VAL HG12 H 1 0.227 0.000 . 2 . . . . . . . . . 5072 1 173 . 1 1 17 17 VAL HG13 H 1 0.227 0.000 . 2 . . . . . . . . . 5072 1 174 . 1 1 17 17 VAL HG21 H 1 -0.123 0.000 . 2 . . . . . . . . . 5072 1 175 . 1 1 17 17 VAL HG22 H 1 -0.123 0.000 . 2 . . . . . . . . . 5072 1 176 . 1 1 17 17 VAL HG23 H 1 -0.123 0.000 . 2 . . . . . . . . . 5072 1 177 . 1 1 17 17 VAL CG1 C 13 19.886 0.000 . 1 . . . . . . . . . 5072 1 178 . 1 1 17 17 VAL CG2 C 13 19.886 0.000 . 1 . . . . . . . . . 5072 1 179 . 1 1 17 17 VAL C C 13 172.901 0.000 . 1 . . . . . . . . . 5072 1 180 . 1 1 18 18 GLU N N 15 126.396 0.000 . 1 . . . . . . . . . 5072 1 181 . 1 1 18 18 GLU H H 1 9.030 0.000 . 1 . . . . . . . . . 5072 1 182 . 1 1 18 18 GLU CA C 13 53.007 0.000 . 1 . . . . . . . . . 5072 1 183 . 1 1 18 18 GLU HA H 1 5.104 0.000 . 1 . . . . . . . . . 5072 1 184 . 1 1 18 18 GLU CB C 13 30.369 0.000 . 1 . . . . . . . . . 5072 1 185 . 1 1 18 18 GLU HB2 H 1 1.844 0.000 . 2 . . . . . . . . . 5072 1 186 . 1 1 18 18 GLU HB3 H 1 1.769 0.000 . 2 . . . . . . . . . 5072 1 187 . 1 1 18 18 GLU CG C 13 34.686 0.000 . 1 . . . . . . . . . 5072 1 188 . 1 1 18 18 GLU HG2 H 1 1.927 0.000 . 1 . . . . . . . . . 5072 1 189 . 1 1 18 18 GLU HG3 H 1 1.927 0.000 . 1 . . . . . . . . . 5072 1 190 . 1 1 18 18 GLU C C 13 175.063 0.000 . 1 . . . . . . . . . 5072 1 191 . 1 1 19 19 LEU N N 15 127.060 0.000 . 1 . . . . . . . . . 5072 1 192 . 1 1 19 19 LEU H H 1 9.277 0.000 . 1 . . . . . . . . . 5072 1 193 . 1 1 19 19 LEU CA C 13 52.186 0.000 . 1 . . . . . . . . . 5072 1 194 . 1 1 19 19 LEU HA H 1 5.203 0.000 . 1 . . . . . . . . . 5072 1 195 . 1 1 19 19 LEU CB C 13 44.257 0.000 . 1 . . . . . . . . . 5072 1 196 . 1 1 19 19 LEU HB2 H 1 1.674 0.000 . 2 . . . . . . . . . 5072 1 197 . 1 1 19 19 LEU HB3 H 1 1.187 0.000 . 2 . . . . . . . . . 5072 1 198 . 1 1 19 19 LEU CG C 13 26.184 0.000 . 1 . . . . . . . . . 5072 1 199 . 1 1 19 19 LEU HG H 1 1.187 0.000 . 1 . . . . . . . . . 5072 1 200 . 1 1 19 19 LEU HD11 H 1 0.060 0.000 . 2 . . . . . . . . . 5072 1 201 . 1 1 19 19 LEU HD12 H 1 0.060 0.000 . 2 . . . . . . . . . 5072 1 202 . 1 1 19 19 LEU HD13 H 1 0.060 0.000 . 2 . . . . . . . . . 5072 1 203 . 1 1 19 19 LEU HD21 H 1 0.348 0.000 . 2 . . . . . . . . . 5072 1 204 . 1 1 19 19 LEU HD22 H 1 0.348 0.000 . 2 . . . . . . . . . 5072 1 205 . 1 1 19 19 LEU HD23 H 1 0.348 0.000 . 2 . . . . . . . . . 5072 1 206 . 1 1 19 19 LEU CD1 C 13 23.988 0.000 . 1 . . . . . . . . . 5072 1 207 . 1 1 19 19 LEU CD2 C 13 24.268 0.000 . 1 . . . . . . . . . 5072 1 208 . 1 1 19 19 LEU C C 13 176.519 0.000 . 1 . . . . . . . . . 5072 1 209 . 1 1 20 20 THR N N 15 116.833 0.000 . 1 . . . . . . . . . 5072 1 210 . 1 1 20 20 THR H H 1 9.045 0.000 . 1 . . . . . . . . . 5072 1 211 . 1 1 20 20 THR CA C 13 60.936 0.000 . 1 . . . . . . . . . 5072 1 212 . 1 1 20 20 THR HA H 1 5.028 0.000 . 1 . . . . . . . . . 5072 1 213 . 1 1 20 20 THR CB C 13 68.866 0.000 . 1 . . . . . . . . . 5072 1 214 . 1 1 20 20 THR HB H 1 3.931 0.000 . 1 . . . . . . . . . 5072 1 215 . 1 1 20 20 THR HG21 H 1 0.950 0.000 . 1 . . . . . . . . . 5072 1 216 . 1 1 20 20 THR HG22 H 1 0.950 0.000 . 1 . . . . . . . . . 5072 1 217 . 1 1 20 20 THR HG23 H 1 0.950 0.000 . 1 . . . . . . . . . 5072 1 218 . 1 1 20 20 THR CG2 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 219 . 1 1 20 20 THR C C 13 174.606 0.000 . 1 . . . . . . . . . 5072 1 220 . 1 1 21 21 CYS N N 15 128.084 0.000 . 1 . . . . . . . . . 5072 1 221 . 1 1 21 21 CYS H H 1 9.638 0.000 . 1 . . . . . . . . . 5072 1 222 . 1 1 21 21 CYS CA C 13 52.673 0.000 . 1 . . . . . . . . . 5072 1 223 . 1 1 21 21 CYS HA H 1 4.460 0.000 . 1 . . . . . . . . . 5072 1 224 . 1 1 21 21 CYS CB C 13 40.624 0.000 . 1 . . . . . . . . . 5072 1 225 . 1 1 21 21 CYS HB2 H 1 3.553 0.000 . 2 . . . . . . . . . 5072 1 226 . 1 1 21 21 CYS HB3 H 1 3.036 0.000 . 2 . . . . . . . . . 5072 1 227 . 1 1 21 21 CYS C C 13 172.608 0.000 . 1 . . . . . . . . . 5072 1 228 . 1 1 22 22 PRO CA C 13 63.397 0.000 . 1 . . . . . . . . . 5072 1 229 . 1 1 22 22 PRO HA H 1 4.252 0.000 . 1 . . . . . . . . . 5072 1 230 . 1 1 22 22 PRO CB C 13 30.493 0.000 . 1 . . . . . . . . . 5072 1 231 . 1 1 22 22 PRO HB2 H 1 1.913 0.000 . 2 . . . . . . . . . 5072 1 232 . 1 1 22 22 PRO HB3 H 1 1.680 0.000 . 2 . . . . . . . . . 5072 1 233 . 1 1 22 22 PRO HG2 H 1 1.435 0.000 . 2 . . . . . . . . . 5072 1 234 . 1 1 22 22 PRO HG3 H 1 1.216 0.000 . 2 . . . . . . . . . 5072 1 235 . 1 1 22 22 PRO HD2 H 1 2.916 0.000 . 1 . . . . . . . . . 5072 1 236 . 1 1 22 22 PRO HD3 H 1 2.916 0.000 . 1 . . . . . . . . . 5072 1 237 . 1 1 22 22 PRO C C 13 176.100 0.000 . 1 . . . . . . . . . 5072 1 238 . 1 1 23 23 LEU N N 15 118.240 0.000 . 1 . . . . . . . . . 5072 1 239 . 1 1 23 23 LEU H H 1 6.963 0.000 . 1 . . . . . . . . . 5072 1 240 . 1 1 23 23 LEU CA C 13 53.280 0.000 . 1 . . . . . . . . . 5072 1 241 . 1 1 23 23 LEU HA H 1 4.185 0.000 . 1 . . . . . . . . . 5072 1 242 . 1 1 23 23 LEU CB C 13 41.249 0.000 . 1 . . . . . . . . . 5072 1 243 . 1 1 23 23 LEU HB2 H 1 1.439 0.000 . 1 . . . . . . . . . 5072 1 244 . 1 1 23 23 LEU HB3 H 1 1.439 0.000 . 1 . . . . . . . . . 5072 1 245 . 1 1 23 23 LEU CG C 13 26.757 0.000 . 1 . . . . . . . . . 5072 1 246 . 1 1 23 23 LEU HG H 1 1.384 0.000 . 1 . . . . . . . . . 5072 1 247 . 1 1 23 23 LEU HD11 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 248 . 1 1 23 23 LEU HD12 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 249 . 1 1 23 23 LEU HD13 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 250 . 1 1 23 23 LEU HD21 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 251 . 1 1 23 23 LEU HD22 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 252 . 1 1 23 23 LEU HD23 H 1 0.811 0.000 . 1 . . . . . . . . . 5072 1 253 . 1 1 23 23 LEU CD1 C 13 25.390 0.000 . 1 . . . . . . . . . 5072 1 254 . 1 1 23 23 LEU CD2 C 13 21.288 0.000 . 1 . . . . . . . . . 5072 1 255 . 1 1 23 23 LEU C C 13 175.612 0.000 . 1 . . . . . . . . . 5072 1 256 . 1 1 24 24 ASP N N 15 118.240 0.000 . 1 . . . . . . . . . 5072 1 257 . 1 1 24 24 ASP H H 1 8.033 0.000 . 1 . . . . . . . . . 5072 1 258 . 1 1 24 24 ASP CA C 13 53.280 0.000 . 1 . . . . . . . . . 5072 1 259 . 1 1 24 24 ASP HA H 1 4.482 0.000 . 1 . . . . . . . . . 5072 1 260 . 1 1 24 24 ASP CB C 13 40.155 0.000 . 1 . . . . . . . . . 5072 1 261 . 1 1 24 24 ASP HB2 H 1 2.722 0.000 . 2 . . . . . . . . . 5072 1 262 . 1 1 24 24 ASP HB3 H 1 2.517 0.000 . 2 . . . . . . . . . 5072 1 263 . 1 1 24 24 ASP C C 13 175.483 0.000 . 1 . . . . . . . . . 5072 1 264 . 1 1 25 25 SER N N 15 113.458 0.000 . 1 . . . . . . . . . 5072 1 265 . 1 1 25 25 SER H H 1 8.062 0.000 . 1 . . . . . . . . . 5072 1 266 . 1 1 25 25 SER CA C 13 58.202 0.000 . 1 . . . . . . . . . 5072 1 267 . 1 1 25 25 SER HA H 1 4.232 0.000 . 1 . . . . . . . . . 5072 1 268 . 1 1 25 25 SER CB C 13 63.124 0.000 . 1 . . . . . . . . . 5072 1 269 . 1 1 25 25 SER HB2 H 1 3.842 0.000 . 2 . . . . . . . . . 5072 1 270 . 1 1 25 25 SER HB3 H 1 3.792 0.000 . 2 . . . . . . . . . 5072 1 271 . 1 1 25 25 SER C C 13 173.051 0.000 . 1 . . . . . . . . . 5072 1 272 . 1 1 26 26 ASP N N 15 121.896 0.000 . 1 . . . . . . . . . 5072 1 273 . 1 1 26 26 ASP H H 1 8.004 0.000 . 1 . . . . . . . . . 5072 1 274 . 1 1 26 26 ASP CA C 13 53.280 0.000 . 1 . . . . . . . . . 5072 1 275 . 1 1 26 26 ASP HA H 1 4.647 0.000 . 1 . . . . . . . . . 5072 1 276 . 1 1 26 26 ASP CB C 13 43.163 0.000 . 1 . . . . . . . . . 5072 1 277 . 1 1 26 26 ASP HB2 H 1 2.786 0.000 . 2 . . . . . . . . . 5072 1 278 . 1 1 26 26 ASP HB3 H 1 2.437 0.000 . 2 . . . . . . . . . 5072 1 279 . 1 1 26 26 ASP C C 13 175.378 0.000 . 1 . . . . . . . . . 5072 1 280 . 1 1 27 27 GLU N N 15 123.583 0.000 . 1 . . . . . . . . . 5072 1 281 . 1 1 27 27 GLU H H 1 8.671 0.000 . 1 . . . . . . . . . 5072 1 282 . 1 1 27 27 GLU CA C 13 57.382 0.000 . 1 . . . . . . . . . 5072 1 283 . 1 1 27 27 GLU HA H 1 4.059 0.000 . 1 . . . . . . . . . 5072 1 284 . 1 1 27 27 GLU CB C 13 28.397 0.000 . 1 . . . . . . . . . 5072 1 285 . 1 1 27 27 GLU HB2 H 1 1.944 0.000 . 1 . . . . . . . . . 5072 1 286 . 1 1 27 27 GLU HB3 H 1 1.944 0.000 . 1 . . . . . . . . . 5072 1 287 . 1 1 27 27 GLU CG C 13 34.140 0.000 . 1 . . . . . . . . . 5072 1 288 . 1 1 27 27 GLU HG2 H 1 2.264 0.000 . 1 . . . . . . . . . 5072 1 289 . 1 1 27 27 GLU HG3 H 1 2.264 0.000 . 1 . . . . . . . . . 5072 1 290 . 1 1 27 27 GLU C C 13 175.694 0.000 . 1 . . . . . . . . . 5072 1 291 . 1 1 28 28 ASN N N 15 115.708 0.000 . 1 . . . . . . . . . 5072 1 292 . 1 1 28 28 ASN H H 1 9.088 0.000 . 1 . . . . . . . . . 5072 1 293 . 1 1 28 28 ASN CA C 13 52.385 0.000 . 1 . . . . . . . . . 5072 1 294 . 1 1 28 28 ASN HA H 1 4.597 0.000 . 1 . . . . . . . . . 5072 1 295 . 1 1 28 28 ASN CB C 13 37.725 0.000 . 1 . . . . . . . . . 5072 1 296 . 1 1 28 28 ASN HB2 H 1 2.577 0.000 . 2 . . . . . . . . . 5072 1 297 . 1 1 28 28 ASN HB3 H 1 2.804 0.000 . 2 . . . . . . . . . 5072 1 298 . 1 1 28 28 ASN ND2 N 15 114.662 0.000 . 1 . . . . . . . . . 5072 1 299 . 1 1 28 28 ASN HD21 H 1 7.837 0.000 . 2 . . . . . . . . . 5072 1 300 . 1 1 28 28 ASN HD22 H 1 6.984 0.000 . 2 . . . . . . . . . 5072 1 301 . 1 1 28 28 ASN C C 13 173.742 0.000 . 1 . . . . . . . . . 5072 1 302 . 1 1 29 29 LEU N N 15 121.615 0.000 . 1 . . . . . . . . . 5072 1 303 . 1 1 29 29 LEU H H 1 7.586 0.000 . 1 . . . . . . . . . 5072 1 304 . 1 1 29 29 LEU CA C 13 55.741 0.000 . 1 . . . . . . . . . 5072 1 305 . 1 1 29 29 LEU HA H 1 4.169 0.000 . 1 . . . . . . . . . 5072 1 306 . 1 1 29 29 LEU CB C 13 42.343 0.000 . 1 . . . . . . . . . 5072 1 307 . 1 1 29 29 LEU HB2 H 1 1.781 0.000 . 2 . . . . . . . . . 5072 1 308 . 1 1 29 29 LEU HB3 H 1 1.313 0.000 . 2 . . . . . . . . . 5072 1 309 . 1 1 29 29 LEU CG C 13 26.210 0.000 . 1 . . . . . . . . . 5072 1 310 . 1 1 29 29 LEU HG H 1 1.173 0.000 . 1 . . . . . . . . . 5072 1 311 . 1 1 29 29 LEU HD11 H 1 0.606 0.000 . 2 . . . . . . . . . 5072 1 312 . 1 1 29 29 LEU HD12 H 1 0.606 0.000 . 2 . . . . . . . . . 5072 1 313 . 1 1 29 29 LEU HD13 H 1 0.606 0.000 . 2 . . . . . . . . . 5072 1 314 . 1 1 29 29 LEU HD21 H 1 0.420 0.000 . 2 . . . . . . . . . 5072 1 315 . 1 1 29 29 LEU HD22 H 1 0.420 0.000 . 2 . . . . . . . . . 5072 1 316 . 1 1 29 29 LEU HD23 H 1 0.420 0.000 . 2 . . . . . . . . . 5072 1 317 . 1 1 29 29 LEU CD1 C 13 25.116 0.000 . 1 . . . . . . . . . 5072 1 318 . 1 1 29 29 LEU CD2 C 13 24.296 0.000 . 1 . . . . . . . . . 5072 1 319 . 1 1 29 29 LEU C C 13 175.243 0.000 . 1 . . . . . . . . . 5072 1 320 . 1 1 30 30 LYS N N 15 125.735 0.000 . 1 . . . . . . . . . 5072 1 321 . 1 1 30 30 LYS H H 1 8.489 0.000 . 1 . . . . . . . . . 5072 1 322 . 1 1 30 30 LYS CA C 13 54.124 0.000 . 1 . . . . . . . . . 5072 1 323 . 1 1 30 30 LYS HA H 1 4.812 0.000 . 1 . . . . . . . . . 5072 1 324 . 1 1 30 30 LYS CB C 13 35.596 0.000 . 1 . . . . . . . . . 5072 1 325 . 1 1 30 30 LYS HB2 H 1 1.464 0.000 . 1 . . . . . . . . . 5072 1 326 . 1 1 30 30 LYS HB3 H 1 1.464 0.000 . 1 . . . . . . . . . 5072 1 327 . 1 1 30 30 LYS HG2 H 1 1.286 0.000 . 1 . . . . . . . . . 5072 1 328 . 1 1 30 30 LYS HG3 H 1 1.286 0.000 . 1 . . . . . . . . . 5072 1 329 . 1 1 30 30 LYS HD2 H 1 1.532 0.000 . 1 . . . . . . . . . 5072 1 330 . 1 1 30 30 LYS HD3 H 1 1.532 0.000 . 1 . . . . . . . . . 5072 1 331 . 1 1 30 30 LYS HE2 H 1 2.955 0.000 . 1 . . . . . . . . . 5072 1 332 . 1 1 30 30 LYS HE3 H 1 2.955 0.000 . 1 . . . . . . . . . 5072 1 333 . 1 1 30 30 LYS C C 13 173.541 0.000 . 1 . . . . . . . . . 5072 1 334 . 1 1 31 31 TRP N N 15 118.388 0.000 . 1 . . . . . . . . . 5072 1 335 . 1 1 31 31 TRP H H 1 8.981 0.000 . 1 . . . . . . . . . 5072 1 336 . 1 1 31 31 TRP CA C 13 55.169 0.000 . 1 . . . . . . . . . 5072 1 337 . 1 1 31 31 TRP HA H 1 5.683 0.000 . 1 . . . . . . . . . 5072 1 338 . 1 1 31 31 TRP CB C 13 33.458 0.000 . 1 . . . . . . . . . 5072 1 339 . 1 1 31 31 TRP HB2 H 1 2.962 0.000 . 2 . . . . . . . . . 5072 1 340 . 1 1 31 31 TRP HB3 H 1 3.175 0.000 . 2 . . . . . . . . . 5072 1 341 . 1 1 31 31 TRP NE1 N 15 128.750 0.000 . 1 . . . . . . . . . 5072 1 342 . 1 1 31 31 TRP HD1 H 1 7.075 0.000 . 1 . . . . . . . . . 5072 1 343 . 1 1 31 31 TRP HE3 H 1 7.595 0.000 . 1 . . . . . . . . . 5072 1 344 . 1 1 31 31 TRP HE1 H 1 10.232 0.000 . 1 . . . . . . . . . 5072 1 345 . 1 1 31 31 TRP HZ3 H 1 6.932 0.000 . 1 . . . . . . . . . 5072 1 346 . 1 1 31 31 TRP HZ2 H 1 7.573 0.000 . 1 . . . . . . . . . 5072 1 347 . 1 1 31 31 TRP HH2 H 1 6.893 0.000 . 1 . . . . . . . . . 5072 1 348 . 1 1 31 31 TRP C C 13 176.263 0.000 . 1 . . . . . . . . . 5072 1 349 . 1 1 32 32 GLU N N 15 118.521 0.000 . 1 . . . . . . . . . 5072 1 350 . 1 1 32 32 GLU H H 1 9.220 0.000 . 1 . . . . . . . . . 5072 1 351 . 1 1 32 32 GLU CA C 13 53.302 0.000 . 1 . . . . . . . . . 5072 1 352 . 1 1 32 32 GLU HA H 1 5.300 0.000 . 1 . . . . . . . . . 5072 1 353 . 1 1 32 32 GLU CB C 13 33.046 0.000 . 1 . . . . . . . . . 5072 1 354 . 1 1 32 32 GLU HB2 H 1 1.700 0.000 . 1 . . . . . . . . . 5072 1 355 . 1 1 32 32 GLU HB3 H 1 1.700 0.000 . 1 . . . . . . . . . 5072 1 356 . 1 1 32 32 GLU HG2 H 1 1.984 0.000 . 1 . . . . . . . . . 5072 1 357 . 1 1 32 32 GLU HG3 H 1 1.984 0.000 . 1 . . . . . . . . . 5072 1 358 . 1 1 32 32 GLU C C 13 174.014 0.000 . 1 . . . . . . . . . 5072 1 359 . 1 1 33 33 LYS N N 15 122.469 0.000 . 1 . . . . . . . . . 5072 1 360 . 1 1 33 33 LYS H H 1 8.778 0.000 . 1 . . . . . . . . . 5072 1 361 . 1 1 33 33 LYS CA C 13 53.280 0.000 . 1 . . . . . . . . . 5072 1 362 . 1 1 33 33 LYS HA H 1 5.287 0.000 . 1 . . . . . . . . . 5072 1 363 . 1 1 33 33 LYS CB C 13 35.507 0.000 . 1 . . . . . . . . . 5072 1 364 . 1 1 33 33 LYS HB2 H 1 2.243 0.000 . 2 . . . . . . . . . 5072 1 365 . 1 1 33 33 LYS HB3 H 1 2.072 0.000 . 2 . . . . . . . . . 5072 1 366 . 1 1 33 33 LYS CG C 13 24.022 0.000 . 1 . . . . . . . . . 5072 1 367 . 1 1 33 33 LYS HG2 H 1 0.858 0.000 . 2 . . . . . . . . . 5072 1 368 . 1 1 33 33 LYS HG3 H 1 0.784 0.000 . 2 . . . . . . . . . 5072 1 369 . 1 1 33 33 LYS CD C 13 28.245 0.000 . 1 . . . . . . . . . 5072 1 370 . 1 1 33 33 LYS HD2 H 1 1.499 0.000 . 2 . . . . . . . . . 5072 1 371 . 1 1 33 33 LYS HD3 H 1 1.318 0.000 . 2 . . . . . . . . . 5072 1 372 . 1 1 33 33 LYS CE C 13 42.069 0.000 . 1 . . . . . . . . . 5072 1 373 . 1 1 33 33 LYS HE2 H 1 2.867 0.000 . 2 . . . . . . . . . 5072 1 374 . 1 1 33 33 LYS HE3 H 1 2.613 0.000 . 2 . . . . . . . . . 5072 1 375 . 1 1 33 33 LYS C C 13 176.174 0.000 . 1 . . . . . . . . . 5072 1 376 . 1 1 34 34 ASN N N 15 134.552 0.000 . 1 . . . . . . . . . 5072 1 377 . 1 1 34 34 ASN H H 1 9.609 0.000 . 1 . . . . . . . . . 5072 1 378 . 1 1 34 34 ASN CA C 13 54.599 0.000 . 1 . . . . . . . . . 5072 1 379 . 1 1 34 34 ASN HA H 1 4.787 0.000 . 1 . . . . . . . . . 5072 1 380 . 1 1 34 34 ASN CB C 13 43.890 0.000 . 1 . . . . . . . . . 5072 1 381 . 1 1 34 34 ASN HB2 H 1 3.145 0.000 . 2 . . . . . . . . . 5072 1 382 . 1 1 34 34 ASN HB3 H 1 2.558 0.000 . 2 . . . . . . . . . 5072 1 383 . 1 1 34 34 ASN C C 13 178.051 0.000 . 1 . . . . . . . . . 5072 1 384 . 1 1 35 35 GLY N N 15 111.783 0.000 . 1 . . . . . . . . . 5072 1 385 . 1 1 35 35 GLY H H 1 8.530 0.000 . 1 . . . . . . . . . 5072 1 386 . 1 1 35 35 GLY HA2 H 1 3.920 0.000 . 1 . . . . . . . . . 5072 1 387 . 1 1 35 35 GLY HA3 H 1 3.920 0.000 . 1 . . . . . . . . . 5072 1 388 . 1 1 36 36 GLN CA C 13 53.528 0.000 . 1 . . . . . . . . . 5072 1 389 . 1 1 36 36 GLN HA H 1 4.675 0.000 . 1 . . . . . . . . . 5072 1 390 . 1 1 36 36 GLN CB C 13 28.284 0.000 . 1 . . . . . . . . . 5072 1 391 . 1 1 36 36 GLN HB2 H 1 2.213 0.000 . 2 . . . . . . . . . 5072 1 392 . 1 1 36 36 GLN HB3 H 1 2.019 0.000 . 2 . . . . . . . . . 5072 1 393 . 1 1 36 36 GLN HG2 H 1 2.424 0.000 . 1 . . . . . . . . . 5072 1 394 . 1 1 36 36 GLN HG3 H 1 2.424 0.000 . 1 . . . . . . . . . 5072 1 395 . 1 1 36 36 GLN C C 13 174.813 0.000 . 1 . . . . . . . . . 5072 1 396 . 1 1 37 37 GLU N N 15 127.088 0.000 . 1 . . . . . . . . . 5072 1 397 . 1 1 37 37 GLU H H 1 8.869 0.000 . 1 . . . . . . . . . 5072 1 398 . 1 1 37 37 GLU CA C 13 56.139 0.000 . 1 . . . . . . . . . 5072 1 399 . 1 1 37 37 GLU HA H 1 4.668 0.000 . 1 . . . . . . . . . 5072 1 400 . 1 1 37 37 GLU CB C 13 29.085 0.000 . 1 . . . . . . . . . 5072 1 401 . 1 1 37 37 GLU HB2 H 1 2.156 0.000 . 1 . . . . . . . . . 5072 1 402 . 1 1 37 37 GLU HB3 H 1 2.156 0.000 . 1 . . . . . . . . . 5072 1 403 . 1 1 37 37 GLU HG2 H 1 2.426 0.000 . 1 . . . . . . . . . 5072 1 404 . 1 1 37 37 GLU HG3 H 1 2.426 0.000 . 1 . . . . . . . . . 5072 1 405 . 1 1 37 37 GLU C C 13 176.647 0.000 . 1 . . . . . . . . . 5072 1 406 . 1 1 38 38 LEU N N 15 128.141 0.000 . 1 . . . . . . . . . 5072 1 407 . 1 1 38 38 LEU H H 1 8.731 0.000 . 1 . . . . . . . . . 5072 1 408 . 1 1 38 38 LEU CA C 13 51.093 0.000 . 1 . . . . . . . . . 5072 1 409 . 1 1 38 38 LEU HA H 1 4.906 0.000 . 1 . . . . . . . . . 5072 1 410 . 1 1 38 38 LEU CB C 13 39.608 0.000 . 1 . . . . . . . . . 5072 1 411 . 1 1 38 38 LEU HB2 H 1 1.892 0.000 . 2 . . . . . . . . . 5072 1 412 . 1 1 38 38 LEU HB3 H 1 1.408 0.000 . 2 . . . . . . . . . 5072 1 413 . 1 1 38 38 LEU CG C 13 25.936 0.000 . 1 . . . . . . . . . 5072 1 414 . 1 1 38 38 LEU HG H 1 1.753 0.000 . 1 . . . . . . . . . 5072 1 415 . 1 1 38 38 LEU HD11 H 1 0.960 0.000 . 2 . . . . . . . . . 5072 1 416 . 1 1 38 38 LEU HD12 H 1 0.960 0.000 . 2 . . . . . . . . . 5072 1 417 . 1 1 38 38 LEU HD13 H 1 0.960 0.000 . 2 . . . . . . . . . 5072 1 418 . 1 1 38 38 LEU HD21 H 1 0.922 0.000 . 2 . . . . . . . . . 5072 1 419 . 1 1 38 38 LEU HD22 H 1 0.922 0.000 . 2 . . . . . . . . . 5072 1 420 . 1 1 38 38 LEU HD23 H 1 0.922 0.000 . 2 . . . . . . . . . 5072 1 421 . 1 1 38 38 LEU CD1 C 13 25.390 0.000 . 1 . . . . . . . . . 5072 1 422 . 1 1 38 38 LEU CD2 C 13 22.108 0.000 . 1 . . . . . . . . . 5072 1 423 . 1 1 38 38 LEU C C 13 174.941 0.000 . 1 . . . . . . . . . 5072 1 424 . 1 1 39 39 PRO CD C 13 50.477 0.000 . 1 . . . . . . . . . 5072 1 425 . 1 1 39 39 PRO CA C 13 63.124 0.000 . 1 . . . . . . . . . 5072 1 426 . 1 1 39 39 PRO HA H 1 4.396 0.000 . 1 . . . . . . . . . 5072 1 427 . 1 1 39 39 PRO CB C 13 31.405 0.000 . 1 . . . . . . . . . 5072 1 428 . 1 1 39 39 PRO HB2 H 1 2.360 0.000 . 1 . . . . . . . . . 5072 1 429 . 1 1 39 39 PRO HB3 H 1 2.360 0.000 . 1 . . . . . . . . . 5072 1 430 . 1 1 39 39 PRO CG C 13 26.757 0.000 . 1 . . . . . . . . . 5072 1 431 . 1 1 39 39 PRO HG2 H 1 2.134 0.000 . 2 . . . . . . . . . 5072 1 432 . 1 1 39 39 PRO HG3 H 1 2.022 0.000 . 2 . . . . . . . . . 5072 1 433 . 1 1 39 39 PRO HD2 H 1 4.302 0.000 . 2 . . . . . . . . . 5072 1 434 . 1 1 39 39 PRO HD3 H 1 3.781 0.000 . 2 . . . . . . . . . 5072 1 435 . 1 1 39 39 PRO C C 13 177.301 0.000 . 1 . . . . . . . . . 5072 1 436 . 1 1 40 40 GLN N N 15 113.177 0.000 . 1 . . . . . . . . . 5072 1 437 . 1 1 40 40 GLN H H 1 9.023 0.000 . 1 . . . . . . . . . 5072 1 438 . 1 1 40 40 GLN CA C 13 56.561 0.000 . 1 . . . . . . . . . 5072 1 439 . 1 1 40 40 GLN HA H 1 3.812 0.000 . 1 . . . . . . . . . 5072 1 440 . 1 1 40 40 GLN CB C 13 25.663 0.000 . 1 . . . . . . . . . 5072 1 441 . 1 1 40 40 GLN HB2 H 1 2.363 0.000 . 2 . . . . . . . . . 5072 1 442 . 1 1 40 40 GLN HB3 H 1 2.266 0.000 . 2 . . . . . . . . . 5072 1 443 . 1 1 40 40 GLN CG C 13 33.593 0.000 . 1 . . . . . . . . . 5072 1 444 . 1 1 40 40 GLN HG2 H 1 2.372 0.000 . 1 . . . . . . . . . 5072 1 445 . 1 1 40 40 GLN HG3 H 1 2.372 0.000 . 1 . . . . . . . . . 5072 1 446 . 1 1 40 40 GLN NE2 N 15 112.052 0.000 . 1 . . . . . . . . . 5072 1 447 . 1 1 40 40 GLN HE21 H 1 7.608 0.000 . 2 . . . . . . . . . 5072 1 448 . 1 1 40 40 GLN HE22 H 1 6.948 0.000 . 2 . . . . . . . . . 5072 1 449 . 1 1 40 40 GLN C C 13 174.428 0.000 . 1 . . . . . . . . . 5072 1 450 . 1 1 41 41 LYS N N 15 117.115 0.000 . 1 . . . . . . . . . 5072 1 451 . 1 1 41 41 LYS H H 1 6.824 0.000 . 1 . . . . . . . . . 5072 1 452 . 1 1 41 41 LYS CA C 13 52.865 0.000 . 1 . . . . . . . . . 5072 1 453 . 1 1 41 41 LYS HA H 1 4.578 0.000 . 1 . . . . . . . . . 5072 1 454 . 1 1 41 41 LYS CB C 13 29.034 0.000 . 1 . . . . . . . . . 5072 1 455 . 1 1 41 41 LYS HB2 H 1 1.887 0.000 . 1 . . . . . . . . . 5072 1 456 . 1 1 41 41 LYS HB3 H 1 1.887 0.000 . 1 . . . . . . . . . 5072 1 457 . 1 1 41 41 LYS HG2 H 1 1.289 0.000 . 2 . . . . . . . . . 5072 1 458 . 1 1 41 41 LYS HG3 H 1 1.142 0.000 . 2 . . . . . . . . . 5072 1 459 . 1 1 41 41 LYS HD2 H 1 1.542 0.000 . 2 . . . . . . . . . 5072 1 460 . 1 1 41 41 LYS HD3 H 1 1.439 0.000 . 2 . . . . . . . . . 5072 1 461 . 1 1 41 41 LYS HE2 H 1 2.920 0.000 . 2 . . . . . . . . . 5072 1 462 . 1 1 41 41 LYS HE3 H 1 2.871 0.000 . 2 . . . . . . . . . 5072 1 463 . 1 1 41 41 LYS C C 13 175.523 0.000 . 1 . . . . . . . . . 5072 1 464 . 1 1 42 42 HIS N N 15 121.052 0.000 . 1 . . . . . . . . . 5072 1 465 . 1 1 42 42 HIS H H 1 8.751 0.000 . 1 . . . . . . . . . 5072 1 466 . 1 1 42 42 HIS CA C 13 53.007 0.000 . 1 . . . . . . . . . 5072 1 467 . 1 1 42 42 HIS HA H 1 5.356 0.000 . 1 . . . . . . . . . 5072 1 468 . 1 1 42 42 HIS CB C 13 28.944 0.000 . 1 . . . . . . . . . 5072 1 469 . 1 1 42 42 HIS HB2 H 1 3.791 0.000 . 2 . . . . . . . . . 5072 1 470 . 1 1 42 42 HIS HB3 H 1 3.109 0.000 . 2 . . . . . . . . . 5072 1 471 . 1 1 42 42 HIS HD2 H 1 7.309 0.000 . 1 . . . . . . . . . 5072 1 472 . 1 1 42 42 HIS C C 13 172.786 0.000 . 1 . . . . . . . . . 5072 1 473 . 1 1 43 43 ASP N N 15 120.945 0.000 . 1 . . . . . . . . . 5072 1 474 . 1 1 43 43 ASP H H 1 8.662 0.000 . 1 . . . . . . . . . 5072 1 475 . 1 1 43 43 ASP CA C 13 52.460 0.000 . 1 . . . . . . . . . 5072 1 476 . 1 1 43 43 ASP HA H 1 5.045 0.000 . 1 . . . . . . . . . 5072 1 477 . 1 1 43 43 ASP CB C 13 43.710 0.000 . 1 . . . . . . . . . 5072 1 478 . 1 1 43 43 ASP HB2 H 1 3.193 0.000 . 2 . . . . . . . . . 5072 1 479 . 1 1 43 43 ASP HB3 H 1 2.710 0.000 . 2 . . . . . . . . . 5072 1 480 . 1 1 43 43 ASP C C 13 175.078 0.000 . 1 . . . . . . . . . 5072 1 481 . 1 1 44 44 LYS N N 15 123.021 0.000 . 1 . . . . . . . . . 5072 1 482 . 1 1 44 44 LYS H H 1 8.715 0.000 . 1 . . . . . . . . . 5072 1 483 . 1 1 44 44 LYS CA C 13 58.202 0.000 . 1 . . . . . . . . . 5072 1 484 . 1 1 44 44 LYS HA H 1 3.885 0.000 . 1 . . . . . . . . . 5072 1 485 . 1 1 44 44 LYS CB C 13 32.772 0.000 . 1 . . . . . . . . . 5072 1 486 . 1 1 44 44 LYS HB2 H 1 1.937 0.000 . 2 . . . . . . . . . 5072 1 487 . 1 1 44 44 LYS HB3 H 1 1.606 0.000 . 2 . . . . . . . . . 5072 1 488 . 1 1 44 44 LYS HG2 H 1 1.445 0.000 . 2 . . . . . . . . . 5072 1 489 . 1 1 44 44 LYS HG3 H 1 1.130 0.000 . 2 . . . . . . . . . 5072 1 490 . 1 1 44 44 LYS CD C 13 28.944 0.000 . 1 . . . . . . . . . 5072 1 491 . 1 1 44 44 LYS HD2 H 1 1.649 0.000 . 1 . . . . . . . . . 5072 1 492 . 1 1 44 44 LYS HD3 H 1 1.649 0.000 . 1 . . . . . . . . . 5072 1 493 . 1 1 44 44 LYS HE2 H 1 2.742 0.000 . 1 . . . . . . . . . 5072 1 494 . 1 1 44 44 LYS HE3 H 1 2.742 0.000 . 1 . . . . . . . . . 5072 1 495 . 1 1 44 44 LYS C C 13 175.228 0.000 . 1 . . . . . . . . . 5072 1 496 . 1 1 45 45 HIS N N 15 115.658 0.000 . 1 . . . . . . . . . 5072 1 497 . 1 1 45 45 HIS H H 1 8.821 0.000 . 1 . . . . . . . . . 5072 1 498 . 1 1 45 45 HIS CA C 13 53.797 0.000 . 1 . . . . . . . . . 5072 1 499 . 1 1 45 45 HIS HA H 1 5.438 0.000 . 1 . . . . . . . . . 5072 1 500 . 1 1 45 45 HIS CB C 13 28.124 0.000 . 1 . . . . . . . . . 5072 1 501 . 1 1 45 45 HIS HB2 H 1 3.135 0.000 . 2 . . . . . . . . . 5072 1 502 . 1 1 45 45 HIS HB3 H 1 2.952 0.000 . 2 . . . . . . . . . 5072 1 503 . 1 1 45 45 HIS HD2 H 1 7.309 0.000 . 1 . . . . . . . . . 5072 1 504 . 1 1 45 45 HIS C C 13 172.721 0.000 . 1 . . . . . . . . . 5072 1 505 . 1 1 46 46 LEU N N 15 127.521 0.000 . 1 . . . . . . . . . 5072 1 506 . 1 1 46 46 LEU H H 1 9.037 0.000 . 1 . . . . . . . . . 5072 1 507 . 1 1 46 46 LEU CA C 13 52.710 0.000 . 1 . . . . . . . . . 5072 1 508 . 1 1 46 46 LEU HA H 1 4.234 0.000 . 1 . . . . . . . . . 5072 1 509 . 1 1 46 46 LEU CB C 13 42.876 0.000 . 1 . . . . . . . . . 5072 1 510 . 1 1 46 46 LEU HB2 H 1 0.802 0.000 . 2 . . . . . . . . . 5072 1 511 . 1 1 46 46 LEU HB3 H 1 -0.197 0.000 . 2 . . . . . . . . . 5072 1 512 . 1 1 46 46 LEU CG C 13 25.367 0.000 . 1 . . . . . . . . . 5072 1 513 . 1 1 46 46 LEU HG H 1 0.704 0.000 . 1 . . . . . . . . . 5072 1 514 . 1 1 46 46 LEU HD11 H 1 0.271 0.000 . 2 . . . . . . . . . 5072 1 515 . 1 1 46 46 LEU HD12 H 1 0.271 0.000 . 2 . . . . . . . . . 5072 1 516 . 1 1 46 46 LEU HD13 H 1 0.271 0.000 . 2 . . . . . . . . . 5072 1 517 . 1 1 46 46 LEU HD21 H 1 -0.168 0.000 . 2 . . . . . . . . . 5072 1 518 . 1 1 46 46 LEU HD22 H 1 -0.168 0.000 . 2 . . . . . . . . . 5072 1 519 . 1 1 46 46 LEU HD23 H 1 -0.168 0.000 . 2 . . . . . . . . . 5072 1 520 . 1 1 46 46 LEU CD1 C 13 21.806 0.000 . 1 . . . . . . . . . 5072 1 521 . 1 1 46 46 LEU CD2 C 13 24.541 0.000 . 1 . . . . . . . . . 5072 1 522 . 1 1 46 46 LEU C C 13 173.832 0.000 . 1 . . . . . . . . . 5072 1 523 . 1 1 47 47 VAL N N 15 126.959 0.000 . 1 . . . . . . . . . 5072 1 524 . 1 1 47 47 VAL H H 1 8.436 0.000 . 1 . . . . . . . . . 5072 1 525 . 1 1 47 47 VAL CA C 13 61.483 0.000 . 1 . . . . . . . . . 5072 1 526 . 1 1 47 47 VAL HA H 1 4.193 0.000 . 1 . . . . . . . . . 5072 1 527 . 1 1 47 47 VAL CB C 13 31.679 0.000 . 1 . . . . . . . . . 5072 1 528 . 1 1 47 47 VAL HB H 1 1.891 0.000 . 1 . . . . . . . . . 5072 1 529 . 1 1 47 47 VAL HG11 H 1 0.707 0.000 . 2 . . . . . . . . . 5072 1 530 . 1 1 47 47 VAL HG12 H 1 0.707 0.000 . 2 . . . . . . . . . 5072 1 531 . 1 1 47 47 VAL HG13 H 1 0.707 0.000 . 2 . . . . . . . . . 5072 1 532 . 1 1 47 47 VAL HG21 H 1 0.731 0.000 . 2 . . . . . . . . . 5072 1 533 . 1 1 47 47 VAL HG22 H 1 0.731 0.000 . 2 . . . . . . . . . 5072 1 534 . 1 1 47 47 VAL HG23 H 1 0.731 0.000 . 2 . . . . . . . . . 5072 1 535 . 1 1 47 47 VAL CG1 C 13 20.194 0.000 . 1 . . . . . . . . . 5072 1 536 . 1 1 47 47 VAL CG2 C 13 20.194 0.000 . 1 . . . . . . . . . 5072 1 537 . 1 1 47 47 VAL C C 13 174.613 0.000 . 1 . . . . . . . . . 5072 1 538 . 1 1 48 48 LEU N N 15 131.573 0.000 . 1 . . . . . . . . . 5072 1 539 . 1 1 48 48 LEU H H 1 9.295 0.000 . 1 . . . . . . . . . 5072 1 540 . 1 1 48 48 LEU CA C 13 52.460 0.000 . 1 . . . . . . . . . 5072 1 541 . 1 1 48 48 LEU HA H 1 4.485 0.000 . 1 . . . . . . . . . 5072 1 542 . 1 1 48 48 LEU CB C 13 40.155 0.000 . 1 . . . . . . . . . 5072 1 543 . 1 1 48 48 LEU HB2 H 1 2.138 0.000 . 1 . . . . . . . . . 5072 1 544 . 1 1 48 48 LEU HB3 H 1 2.138 0.000 . 1 . . . . . . . . . 5072 1 545 . 1 1 48 48 LEU CG C 13 26.483 0.000 . 1 . . . . . . . . . 5072 1 546 . 1 1 48 48 LEU HG H 1 1.493 0.000 . 1 . . . . . . . . . 5072 1 547 . 1 1 48 48 LEU HD11 H 1 0.658 0.000 . 2 . . . . . . . . . 5072 1 548 . 1 1 48 48 LEU HD12 H 1 0.658 0.000 . 2 . . . . . . . . . 5072 1 549 . 1 1 48 48 LEU HD13 H 1 0.658 0.000 . 2 . . . . . . . . . 5072 1 550 . 1 1 48 48 LEU HD21 H 1 0.740 0.000 . 2 . . . . . . . . . 5072 1 551 . 1 1 48 48 LEU HD22 H 1 0.740 0.000 . 2 . . . . . . . . . 5072 1 552 . 1 1 48 48 LEU HD23 H 1 0.740 0.000 . 2 . . . . . . . . . 5072 1 553 . 1 1 48 48 LEU CD1 C 13 25.116 0.000 . 1 . . . . . . . . . 5072 1 554 . 1 1 48 48 LEU CD2 C 13 22.108 0.000 . 1 . . . . . . . . . 5072 1 555 . 1 1 48 48 LEU C C 13 175.168 0.000 . 1 . . . . . . . . . 5072 1 556 . 1 1 49 49 GLN N N 15 121.436 0.000 . 1 . . . . . . . . . 5072 1 557 . 1 1 49 49 GLN H H 1 8.076 0.000 . 1 . . . . . . . . . 5072 1 558 . 1 1 49 49 GLN CA C 13 54.921 0.000 . 1 . . . . . . . . . 5072 1 559 . 1 1 49 49 GLN HA H 1 4.269 0.000 . 1 . . . . . . . . . 5072 1 560 . 1 1 49 49 GLN CB C 13 28.482 0.000 . 1 . . . . . . . . . 5072 1 561 . 1 1 49 49 GLN HB2 H 1 1.891 0.000 . 1 . . . . . . . . . 5072 1 562 . 1 1 49 49 GLN HB3 H 1 1.891 0.000 . 1 . . . . . . . . . 5072 1 563 . 1 1 49 49 GLN CG C 13 33.319 0.000 . 1 . . . . . . . . . 5072 1 564 . 1 1 49 49 GLN HG2 H 1 2.250 0.000 . 2 . . . . . . . . . 5072 1 565 . 1 1 49 49 GLN HG3 H 1 2.215 0.000 . 2 . . . . . . . . . 5072 1 566 . 1 1 49 49 GLN NE2 N 15 111.489 0.000 . 1 . . . . . . . . . 5072 1 567 . 1 1 49 49 GLN HE21 H 1 7.439 0.000 . 2 . . . . . . . . . 5072 1 568 . 1 1 49 49 GLN HE22 H 1 6.787 0.000 . 2 . . . . . . . . . 5072 1 569 . 1 1 49 49 GLN C C 13 175.874 0.000 . 1 . . . . . . . . . 5072 1 570 . 1 1 50 50 ASP N N 15 122.458 0.000 . 1 . . . . . . . . . 5072 1 571 . 1 1 50 50 ASP H H 1 8.957 0.000 . 1 . . . . . . . . . 5072 1 572 . 1 1 50 50 ASP CA C 13 53.827 0.000 . 1 . . . . . . . . . 5072 1 573 . 1 1 50 50 ASP HA H 1 4.213 0.000 . 1 . . . . . . . . . 5072 1 574 . 1 1 50 50 ASP CB C 13 37.968 0.000 . 1 . . . . . . . . . 5072 1 575 . 1 1 50 50 ASP HB2 H 1 2.775 0.000 . 2 . . . . . . . . . 5072 1 576 . 1 1 50 50 ASP HB3 H 1 2.561 0.000 . 2 . . . . . . . . . 5072 1 577 . 1 1 50 50 ASP C C 13 175.883 0.000 . 1 . . . . . . . . . 5072 1 578 . 1 1 51 51 PHE N N 15 119.089 0.000 . 1 . . . . . . . . . 5072 1 579 . 1 1 51 51 PHE H H 1 8.137 0.000 . 1 . . . . . . . . . 5072 1 580 . 1 1 51 51 PHE CA C 13 59.296 0.000 . 1 . . . . . . . . . 5072 1 581 . 1 1 51 51 PHE HA H 1 3.768 0.000 . 1 . . . . . . . . . 5072 1 582 . 1 1 51 51 PHE CB C 13 39.608 0.000 . 1 . . . . . . . . . 5072 1 583 . 1 1 51 51 PHE HB2 H 1 2.740 0.000 . 1 . . . . . . . . . 5072 1 584 . 1 1 51 51 PHE HB3 H 1 2.740 0.000 . 1 . . . . . . . . . 5072 1 585 . 1 1 51 51 PHE HD1 H 1 6.854 0.000 . 1 . . . . . . . . . 5072 1 586 . 1 1 51 51 PHE HE1 H 1 7.144 0.000 . 1 . . . . . . . . . 5072 1 587 . 1 1 51 51 PHE HZ H 1 6.806 0.000 . 1 . . . . . . . . . 5072 1 588 . 1 1 51 51 PHE HE2 H 1 7.144 0.000 . 1 . . . . . . . . . 5072 1 589 . 1 1 51 51 PHE HD2 H 1 6.854 0.000 . 1 . . . . . . . . . 5072 1 590 . 1 1 51 51 PHE C C 13 175.079 0.000 . 1 . . . . . . . . . 5072 1 591 . 1 1 52 52 SER N N 15 124.990 0.000 . 1 . . . . . . . . . 5072 1 592 . 1 1 52 52 SER H H 1 9.206 0.000 . 1 . . . . . . . . . 5072 1 593 . 1 1 52 52 SER CA C 13 54.100 0.000 . 1 . . . . . . . . . 5072 1 594 . 1 1 52 52 SER HA H 1 4.762 0.000 . 1 . . . . . . . . . 5072 1 595 . 1 1 52 52 SER CB C 13 62.850 0.000 . 1 . . . . . . . . . 5072 1 596 . 1 1 52 52 SER HB2 H 1 3.857 0.000 . 2 . . . . . . . . . 5072 1 597 . 1 1 52 52 SER HB3 H 1 3.544 0.000 . 2 . . . . . . . . . 5072 1 598 . 1 1 52 52 SER C C 13 174.088 0.000 . 1 . . . . . . . . . 5072 1 599 . 1 1 53 53 GLU N N 15 129.854 0.000 . 1 . . . . . . . . . 5072 1 600 . 1 1 53 53 GLU H H 1 9.035 0.000 . 1 . . . . . . . . . 5072 1 601 . 1 1 53 53 GLU CA C 13 59.022 0.000 . 1 . . . . . . . . . 5072 1 602 . 1 1 53 53 GLU HA H 1 4.158 0.000 . 1 . . . . . . . . . 5072 1 603 . 1 1 53 53 GLU CB C 13 28.613 0.000 . 1 . . . . . . . . . 5072 1 604 . 1 1 53 53 GLU HB2 H 1 2.138 0.000 . 1 . . . . . . . . . 5072 1 605 . 1 1 53 53 GLU HB3 H 1 2.138 0.000 . 1 . . . . . . . . . 5072 1 606 . 1 1 53 53 GLU HG2 H 1 2.390 0.000 . 1 . . . . . . . . . 5072 1 607 . 1 1 53 53 GLU HG3 H 1 2.390 0.000 . 1 . . . . . . . . . 5072 1 608 . 1 1 53 53 GLU C C 13 178.682 0.000 . 1 . . . . . . . . . 5072 1 609 . 1 1 54 54 VAL N N 15 116.271 0.000 . 1 . . . . . . . . . 5072 1 610 . 1 1 54 54 VAL H H 1 8.121 0.000 . 1 . . . . . . . . . 5072 1 611 . 1 1 54 54 VAL CA C 13 64.491 0.000 . 1 . . . . . . . . . 5072 1 612 . 1 1 54 54 VAL HA H 1 3.814 0.000 . 1 . . . . . . . . . 5072 1 613 . 1 1 54 54 VAL CB C 13 31.679 0.000 . 1 . . . . . . . . . 5072 1 614 . 1 1 54 54 VAL HB H 1 1.904 0.000 . 1 . . . . . . . . . 5072 1 615 . 1 1 54 54 VAL HG11 H 1 0.882 0.000 . 2 . . . . . . . . . 5072 1 616 . 1 1 54 54 VAL HG12 H 1 0.882 0.000 . 2 . . . . . . . . . 5072 1 617 . 1 1 54 54 VAL HG13 H 1 0.882 0.000 . 2 . . . . . . . . . 5072 1 618 . 1 1 54 54 VAL HG21 H 1 0.996 0.000 . 2 . . . . . . . . . 5072 1 619 . 1 1 54 54 VAL HG22 H 1 0.996 0.000 . 2 . . . . . . . . . 5072 1 620 . 1 1 54 54 VAL HG23 H 1 0.996 0.000 . 2 . . . . . . . . . 5072 1 621 . 1 1 54 54 VAL CG1 C 13 20.194 0.000 . 1 . . . . . . . . . 5072 1 622 . 1 1 54 54 VAL CG2 C 13 21.288 0.000 . 1 . . . . . . . . . 5072 1 623 . 1 1 54 54 VAL C C 13 177.255 0.000 . 1 . . . . . . . . . 5072 1 624 . 1 1 55 55 GLU N N 15 116.223 0.000 . 1 . . . . . . . . . 5072 1 625 . 1 1 55 55 GLU H H 1 7.802 0.000 . 1 . . . . . . . . . 5072 1 626 . 1 1 55 55 GLU CA C 13 57.289 0.000 . 1 . . . . . . . . . 5072 1 627 . 1 1 55 55 GLU HA H 1 4.236 0.000 . 1 . . . . . . . . . 5072 1 628 . 1 1 55 55 GLU CB C 13 28.901 0.000 . 1 . . . . . . . . . 5072 1 629 . 1 1 55 55 GLU HB2 H 1 1.730 0.000 . 2 . . . . . . . . . 5072 1 630 . 1 1 55 55 GLU HB3 H 1 1.979 0.000 . 2 . . . . . . . . . 5072 1 631 . 1 1 55 55 GLU HG2 H 1 2.311 0.000 . 1 . . . . . . . . . 5072 1 632 . 1 1 55 55 GLU HG3 H 1 2.311 0.000 . 1 . . . . . . . . . 5072 1 633 . 1 1 55 55 GLU C C 13 177.090 0.000 . 1 . . . . . . . . . 5072 1 634 . 1 1 56 56 ASP N N 15 113.369 0.000 . 1 . . . . . . . . . 5072 1 635 . 1 1 56 56 ASP H H 1 8.586 0.000 . 1 . . . . . . . . . 5072 1 636 . 1 1 56 56 ASP CA C 13 54.063 0.000 . 1 . . . . . . . . . 5072 1 637 . 1 1 56 56 ASP HA H 1 4.677 0.000 . 1 . . . . . . . . . 5072 1 638 . 1 1 56 56 ASP CB C 13 41.046 0.000 . 1 . . . . . . . . . 5072 1 639 . 1 1 56 56 ASP HB2 H 1 2.097 0.000 . 1 . . . . . . . . . 5072 1 640 . 1 1 56 56 ASP HB3 H 1 2.097 0.000 . 1 . . . . . . . . . 5072 1 641 . 1 1 56 56 ASP C C 13 177.091 0.000 . 1 . . . . . . . . . 5072 1 642 . 1 1 57 57 SER N N 15 117.396 0.000 . 1 . . . . . . . . . 5072 1 643 . 1 1 57 57 SER H H 1 6.714 0.000 . 1 . . . . . . . . . 5072 1 644 . 1 1 57 57 SER CA C 13 60.080 0.000 . 1 . . . . . . . . . 5072 1 645 . 1 1 57 57 SER HA H 1 4.776 0.000 . 1 . . . . . . . . . 5072 1 646 . 1 1 57 57 SER CB C 13 62.937 0.000 . 1 . . . . . . . . . 5072 1 647 . 1 1 57 57 SER HB2 H 1 4.163 0.000 . 2 . . . . . . . . . 5072 1 648 . 1 1 57 57 SER HB3 H 1 3.949 0.000 . 2 . . . . . . . . . 5072 1 649 . 1 1 57 57 SER C C 13 173.246 0.000 . 1 . . . . . . . . . 5072 1 650 . 1 1 58 58 GLY N N 15 110.364 0.000 . 1 . . . . . . . . . 5072 1 651 . 1 1 58 58 GLY H H 1 8.861 0.000 . 1 . . . . . . . . . 5072 1 652 . 1 1 58 58 GLY CA C 13 44.257 0.000 . 1 . . . . . . . . . 5072 1 653 . 1 1 58 58 GLY HA2 H 1 3.524 0.000 . 2 . . . . . . . . . 5072 1 654 . 1 1 58 58 GLY HA3 H 1 4.432 0.000 . 2 . . . . . . . . . 5072 1 655 . 1 1 58 58 GLY C C 13 180.390 0.000 . 1 . . . . . . . . . 5072 1 656 . 1 1 59 59 TYR N N 15 117.958 0.000 . 1 . . . . . . . . . 5072 1 657 . 1 1 59 59 TYR H H 1 8.751 0.000 . 1 . . . . . . . . . 5072 1 658 . 1 1 59 59 TYR CA C 13 56.381 0.000 . 1 . . . . . . . . . 5072 1 659 . 1 1 59 59 TYR HA H 1 5.731 0.000 . 1 . . . . . . . . . 5072 1 660 . 1 1 59 59 TYR CB C 13 39.104 0.000 . 1 . . . . . . . . . 5072 1 661 . 1 1 59 59 TYR HB2 H 1 2.946 0.000 . 2 . . . . . . . . . 5072 1 662 . 1 1 59 59 TYR HB3 H 1 2.881 0.000 . 2 . . . . . . . . . 5072 1 663 . 1 1 59 59 TYR HD1 H 1 7.330 0.000 . 1 . . . . . . . . . 5072 1 664 . 1 1 59 59 TYR HE1 H 1 7.009 0.000 . 1 . . . . . . . . . 5072 1 665 . 1 1 59 59 TYR HE2 H 1 7.009 0.000 . 1 . . . . . . . . . 5072 1 666 . 1 1 59 59 TYR HD2 H 1 7.330 0.000 . 1 . . . . . . . . . 5072 1 667 . 1 1 59 59 TYR C C 13 175.949 0.000 . 1 . . . . . . . . . 5072 1 668 . 1 1 60 60 TYR N N 15 123.167 0.000 . 1 . . . . . . . . . 5072 1 669 . 1 1 60 60 TYR H H 1 10.328 0.000 . 1 . . . . . . . . . 5072 1 670 . 1 1 60 60 TYR CA C 13 56.569 0.000 . 1 . . . . . . . . . 5072 1 671 . 1 1 60 60 TYR HA H 1 5.699 0.000 . 1 . . . . . . . . . 5072 1 672 . 1 1 60 60 TYR CB C 13 42.890 0.000 . 1 . . . . . . . . . 5072 1 673 . 1 1 60 60 TYR HB2 H 1 2.842 0.000 . 1 . . . . . . . . . 5072 1 674 . 1 1 60 60 TYR HB3 H 1 2.842 0.000 . 1 . . . . . . . . . 5072 1 675 . 1 1 60 60 TYR HD1 H 1 6.944 0.000 . 1 . . . . . . . . . 5072 1 676 . 1 1 60 60 TYR HE1 H 1 6.607 0.000 . 1 . . . . . . . . . 5072 1 677 . 1 1 60 60 TYR HE2 H 1 6.607 0.000 . 1 . . . . . . . . . 5072 1 678 . 1 1 60 60 TYR HD2 H 1 6.944 0.000 . 1 . . . . . . . . . 5072 1 679 . 1 1 60 60 TYR C C 13 174.473 0.000 . 1 . . . . . . . . . 5072 1 680 . 1 1 61 61 VAL N N 15 116.552 0.000 . 1 . . . . . . . . . 5072 1 681 . 1 1 61 61 VAL H H 1 8.839 0.000 . 1 . . . . . . . . . 5072 1 682 . 1 1 61 61 VAL CA C 13 59.022 0.000 . 1 . . . . . . . . . 5072 1 683 . 1 1 61 61 VAL HA H 1 4.986 0.000 . 1 . . . . . . . . . 5072 1 684 . 1 1 61 61 VAL CB C 13 34.140 0.000 . 1 . . . . . . . . . 5072 1 685 . 1 1 61 61 VAL HB H 1 1.425 0.000 . 1 . . . . . . . . . 5072 1 686 . 1 1 61 61 VAL HG11 H 1 0.743 0.000 . 2 . . . . . . . . . 5072 1 687 . 1 1 61 61 VAL HG12 H 1 0.743 0.000 . 2 . . . . . . . . . 5072 1 688 . 1 1 61 61 VAL HG13 H 1 0.743 0.000 . 2 . . . . . . . . . 5072 1 689 . 1 1 61 61 VAL HG21 H 1 0.391 0.000 . 2 . . . . . . . . . 5072 1 690 . 1 1 61 61 VAL HG22 H 1 0.391 0.000 . 2 . . . . . . . . . 5072 1 691 . 1 1 61 61 VAL HG23 H 1 0.391 0.000 . 2 . . . . . . . . . 5072 1 692 . 1 1 61 61 VAL CG1 C 13 19.100 0.000 . 1 . . . . . . . . . 5072 1 693 . 1 1 61 61 VAL CG2 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 694 . 1 1 61 61 VAL C C 13 171.913 0.000 . 1 . . . . . . . . . 5072 1 695 . 1 1 62 62 CYS N N 15 121.052 0.000 . 1 . . . . . . . . . 5072 1 696 . 1 1 62 62 CYS H H 1 7.337 0.000 . 1 . . . . . . . . . 5072 1 697 . 1 1 62 62 CYS CA C 13 51.640 0.000 . 1 . . . . . . . . . 5072 1 698 . 1 1 62 62 CYS HA H 1 5.750 0.000 . 1 . . . . . . . . . 5072 1 699 . 1 1 62 62 CYS CB C 13 46.100 0.000 . 1 . . . . . . . . . 5072 1 700 . 1 1 62 62 CYS HB2 H 1 1.773 0.000 . 2 . . . . . . . . . 5072 1 701 . 1 1 62 62 CYS HB3 H 1 1.422 0.000 . 2 . . . . . . . . . 5072 1 702 . 1 1 62 62 CYS C C 13 171.655 0.000 . 1 . . . . . . . . . 5072 1 703 . 1 1 63 63 TYR N N 15 114.896 0.000 . 1 . . . . . . . . . 5072 1 704 . 1 1 63 63 TYR H H 1 8.452 0.000 . 1 . . . . . . . . . 5072 1 705 . 1 1 63 63 TYR CA C 13 56.089 0.000 . 1 . . . . . . . . . 5072 1 706 . 1 1 63 63 TYR HA H 1 4.682 0.000 . 1 . . . . . . . . . 5072 1 707 . 1 1 63 63 TYR CB C 13 38.269 0.000 . 1 . . . . . . . . . 5072 1 708 . 1 1 63 63 TYR HB2 H 1 2.947 0.000 . 1 . . . . . . . . . 5072 1 709 . 1 1 63 63 TYR HB3 H 1 2.947 0.000 . 1 . . . . . . . . . 5072 1 710 . 1 1 63 63 TYR HD1 H 1 6.593 0.000 . 1 . . . . . . . . . 5072 1 711 . 1 1 63 63 TYR HE1 H 1 6.455 0.000 . 1 . . . . . . . . . 5072 1 712 . 1 1 63 63 TYR HE2 H 1 6.455 0.000 . 1 . . . . . . . . . 5072 1 713 . 1 1 63 63 TYR HD2 H 1 6.593 0.000 . 1 . . . . . . . . . 5072 1 714 . 1 1 63 63 TYR C C 13 172.609 0.000 . 1 . . . . . . . . . 5072 1 715 . 1 1 64 64 THR N N 15 111.208 0.000 . 1 . . . . . . . . . 5072 1 716 . 1 1 64 64 THR H H 1 8.290 0.000 . 1 . . . . . . . . . 5072 1 717 . 1 1 64 64 THR CA C 13 58.202 0.000 . 1 . . . . . . . . . 5072 1 718 . 1 1 64 64 THR HA H 1 4.949 0.000 . 1 . . . . . . . . . 5072 1 719 . 1 1 64 64 THR CB C 13 68.319 0.000 . 1 . . . . . . . . . 5072 1 720 . 1 1 64 64 THR HB H 1 4.471 0.000 . 1 . . . . . . . . . 5072 1 721 . 1 1 64 64 THR HG21 H 1 1.042 0.000 . 1 . . . . . . . . . 5072 1 722 . 1 1 64 64 THR HG22 H 1 1.042 0.000 . 1 . . . . . . . . . 5072 1 723 . 1 1 64 64 THR HG23 H 1 1.042 0.000 . 1 . . . . . . . . . 5072 1 724 . 1 1 64 64 THR CG2 C 13 21.288 0.000 . 1 . . . . . . . . . 5072 1 725 . 1 1 64 64 THR C C 13 173.906 0.000 . 1 . . . . . . . . . 5072 1 726 . 1 1 65 65 PRO CA C 13 64.230 0.000 . 1 . . . . . . . . . 5072 1 727 . 1 1 65 65 PRO HA H 1 4.817 0.000 . 1 . . . . . . . . . 5072 1 728 . 1 1 65 65 PRO CB C 13 30.575 0.000 . 1 . . . . . . . . . 5072 1 729 . 1 1 65 65 PRO HB2 H 1 2.434 0.000 . 1 . . . . . . . . . 5072 1 730 . 1 1 65 65 PRO HB3 H 1 2.434 0.000 . 1 . . . . . . . . . 5072 1 731 . 1 1 65 65 PRO HG2 H 1 2.128 0.000 . 2 . . . . . . . . . 5072 1 732 . 1 1 65 65 PRO HG3 H 1 1.901 0.000 . 2 . . . . . . . . . 5072 1 733 . 1 1 65 65 PRO HD2 H 1 3.732 0.000 . 1 . . . . . . . . . 5072 1 734 . 1 1 65 65 PRO HD3 H 1 3.732 0.000 . 1 . . . . . . . . . 5072 1 735 . 1 1 65 65 PRO C C 13 176.655 0.000 . 1 . . . . . . . . . 5072 1 736 . 1 1 66 66 ALA N N 15 115.990 0.000 . 1 . . . . . . . . . 5072 1 737 . 1 1 66 66 ALA H H 1 7.696 0.000 . 1 . . . . . . . . . 5072 1 738 . 1 1 66 66 ALA CA C 13 51.640 0.000 . 1 . . . . . . . . . 5072 1 739 . 1 1 66 66 ALA HA H 1 4.351 0.000 . 1 . . . . . . . . . 5072 1 740 . 1 1 66 66 ALA HB1 H 1 1.340 0.000 . 1 . . . . . . . . . 5072 1 741 . 1 1 66 66 ALA HB2 H 1 1.340 0.000 . 1 . . . . . . . . . 5072 1 742 . 1 1 66 66 ALA HB3 H 1 1.340 0.000 . 1 . . . . . . . . . 5072 1 743 . 1 1 66 66 ALA CB C 13 18.261 0.000 . 1 . . . . . . . . . 5072 1 744 . 1 1 66 66 ALA C C 13 177.525 0.000 . 1 . . . . . . . . . 5072 1 745 . 1 1 67 67 SER N N 15 114.417 0.000 . 1 . . . . . . . . . 5072 1 746 . 1 1 67 67 SER H H 1 7.663 0.000 . 1 . . . . . . . . . 5072 1 747 . 1 1 67 67 SER CA C 13 57.655 0.000 . 1 . . . . . . . . . 5072 1 748 . 1 1 67 67 SER HA H 1 4.420 0.000 . 1 . . . . . . . . . 5072 1 749 . 1 1 67 67 SER CB C 13 63.944 0.000 . 1 . . . . . . . . . 5072 1 750 . 1 1 67 67 SER HB2 H 1 3.972 0.000 . 2 . . . . . . . . . 5072 1 751 . 1 1 67 67 SER HB3 H 1 3.920 0.000 . 2 . . . . . . . . . 5072 1 752 . 1 1 67 67 SER C C 13 173.999 0.000 . 1 . . . . . . . . . 5072 1 753 . 1 1 68 68 ASN N N 15 120.771 0.000 . 1 . . . . . . . . . 5072 1 754 . 1 1 68 68 ASN H H 1 8.487 0.000 . 1 . . . . . . . . . 5072 1 755 . 1 1 68 68 ASN CA C 13 53.511 0.000 . 1 . . . . . . . . . 5072 1 756 . 1 1 68 68 ASN CB C 13 39.388 0.000 . 1 . . . . . . . . . 5072 1 757 . 1 1 68 68 ASN HB2 H 1 2.813 0.000 . 2 . . . . . . . . . 5072 1 758 . 1 1 68 68 ASN HB3 H 1 2.662 0.000 . 2 . . . . . . . . . 5072 1 759 . 1 1 68 68 ASN C C 13 175.440 0.000 . 1 . . . . . . . . . 5072 1 760 . 1 1 70 70 ASN CA C 13 52.733 0.000 . 1 . . . . . . . . . 5072 1 761 . 1 1 70 70 ASN HA H 1 4.858 0.000 . 1 . . . . . . . . . 5072 1 762 . 1 1 70 70 ASN CB C 13 39.608 0.000 . 1 . . . . . . . . . 5072 1 763 . 1 1 70 70 ASN HB2 H 1 2.674 0.000 . 2 . . . . . . . . . 5072 1 764 . 1 1 70 70 ASN HB3 H 1 2.503 0.000 . 2 . . . . . . . . . 5072 1 765 . 1 1 70 70 ASN ND2 N 15 112.045 0.000 . 1 . . . . . . . . . 5072 1 766 . 1 1 70 70 ASN HD21 H 1 7.478 0.000 . 2 . . . . . . . . . 5072 1 767 . 1 1 70 70 ASN HD22 H 1 6.706 0.000 . 2 . . . . . . . . . 5072 1 768 . 1 1 70 70 ASN C C 13 173.814 0.000 . 1 . . . . . . . . . 5072 1 769 . 1 1 71 71 THR N N 15 117.387 0.000 . 1 . . . . . . . . . 5072 1 770 . 1 1 71 71 THR H H 1 8.545 0.000 . 1 . . . . . . . . . 5072 1 771 . 1 1 71 71 THR CA C 13 62.030 0.000 . 1 . . . . . . . . . 5072 1 772 . 1 1 71 71 THR HA H 1 4.878 0.000 . 1 . . . . . . . . . 5072 1 773 . 1 1 71 71 THR CB C 13 68.866 0.000 . 1 . . . . . . . . . 5072 1 774 . 1 1 71 71 THR HB H 1 4.223 0.000 . 1 . . . . . . . . . 5072 1 775 . 1 1 71 71 THR HG21 H 1 1.594 0.000 . 1 . . . . . . . . . 5072 1 776 . 1 1 71 71 THR HG22 H 1 1.594 0.000 . 1 . . . . . . . . . 5072 1 777 . 1 1 71 71 THR HG23 H 1 1.594 0.000 . 1 . . . . . . . . . 5072 1 778 . 1 1 71 71 THR CG2 C 13 21.561 0.000 . 1 . . . . . . . . . 5072 1 779 . 1 1 71 71 THR C C 13 174.024 0.000 . 1 . . . . . . . . . 5072 1 780 . 1 1 72 72 TYR N N 15 130.064 0.000 . 1 . . . . . . . . . 5072 1 781 . 1 1 72 72 TYR H H 1 8.689 0.000 . 1 . . . . . . . . . 5072 1 782 . 1 1 72 72 TYR CA C 13 57.054 0.000 . 1 . . . . . . . . . 5072 1 783 . 1 1 72 72 TYR HA H 1 4.968 0.000 . 1 . . . . . . . . . 5072 1 784 . 1 1 72 72 TYR CB C 13 41.553 0.000 . 1 . . . . . . . . . 5072 1 785 . 1 1 72 72 TYR HB2 H 1 3.139 0.000 . 2 . . . . . . . . . 5072 1 786 . 1 1 72 72 TYR HB3 H 1 2.851 0.000 . 2 . . . . . . . . . 5072 1 787 . 1 1 72 72 TYR HD1 H 1 7.150 0.000 . 1 . . . . . . . . . 5072 1 788 . 1 1 72 72 TYR HE1 H 1 6.703 0.000 . 1 . . . . . . . . . 5072 1 789 . 1 1 72 72 TYR HE2 H 1 6.703 0.000 . 1 . . . . . . . . . 5072 1 790 . 1 1 72 72 TYR HD2 H 1 7.150 0.000 . 1 . . . . . . . . . 5072 1 791 . 1 1 72 72 TYR C C 13 172.766 0.000 . 1 . . . . . . . . . 5072 1 792 . 1 1 73 73 LEU N N 15 123.865 0.000 . 1 . . . . . . . . . 5072 1 793 . 1 1 73 73 LEU H H 1 9.528 0.000 . 1 . . . . . . . . . 5072 1 794 . 1 1 73 73 LEU CA C 13 52.178 0.000 . 1 . . . . . . . . . 5072 1 795 . 1 1 73 73 LEU HA H 1 5.421 0.000 . 1 . . . . . . . . . 5072 1 796 . 1 1 73 73 LEU CB C 13 42.769 0.000 . 1 . . . . . . . . . 5072 1 797 . 1 1 73 73 LEU HB2 H 1 1.479 0.000 . 1 . . . . . . . . . 5072 1 798 . 1 1 73 73 LEU HB3 H 1 1.479 0.000 . 1 . . . . . . . . . 5072 1 799 . 1 1 73 73 LEU HG H 1 1.225 0.000 . 1 . . . . . . . . . 5072 1 800 . 1 1 73 73 LEU HD11 H 1 0.686 0.000 . 2 . . . . . . . . . 5072 1 801 . 1 1 73 73 LEU HD12 H 1 0.686 0.000 . 2 . . . . . . . . . 5072 1 802 . 1 1 73 73 LEU HD13 H 1 0.686 0.000 . 2 . . . . . . . . . 5072 1 803 . 1 1 73 73 LEU HD21 H 1 0.410 0.000 . 2 . . . . . . . . . 5072 1 804 . 1 1 73 73 LEU HD22 H 1 0.410 0.000 . 2 . . . . . . . . . 5072 1 805 . 1 1 73 73 LEU HD23 H 1 0.410 0.000 . 2 . . . . . . . . . 5072 1 806 . 1 1 73 73 LEU CD1 C 13 22.382 0.000 . 1 . . . . . . . . . 5072 1 807 . 1 1 73 73 LEU CD2 C 13 27.030 0.000 . 1 . . . . . . . . . 5072 1 808 . 1 1 73 73 LEU C C 13 175.257 0.000 . 1 . . . . . . . . . 5072 1 809 . 1 1 74 74 TYR N N 15 127.363 0.000 . 1 . . . . . . . . . 5072 1 810 . 1 1 74 74 TYR H H 1 9.749 0.000 . 1 . . . . . . . . . 5072 1 811 . 1 1 74 74 TYR CA C 13 57.108 0.000 . 1 . . . . . . . . . 5072 1 812 . 1 1 74 74 TYR HA H 1 4.942 0.000 . 1 . . . . . . . . . 5072 1 813 . 1 1 74 74 TYR CB C 13 38.888 0.000 . 1 . . . . . . . . . 5072 1 814 . 1 1 74 74 TYR HB2 H 1 2.859 0.000 . 2 . . . . . . . . . 5072 1 815 . 1 1 74 74 TYR HB3 H 1 2.669 0.000 . 2 . . . . . . . . . 5072 1 816 . 1 1 74 74 TYR HD1 H 1 5.967 0.000 . 1 . . . . . . . . . 5072 1 817 . 1 1 74 74 TYR HE1 H 1 6.458 0.000 . 1 . . . . . . . . . 5072 1 818 . 1 1 74 74 TYR HE2 H 1 6.458 0.000 . 1 . . . . . . . . . 5072 1 819 . 1 1 74 74 TYR HD2 H 1 5.967 0.000 . 1 . . . . . . . . . 5072 1 820 . 1 1 74 74 TYR C C 13 171.647 0.000 . 1 . . . . . . . . . 5072 1 821 . 1 1 75 75 LEU N N 15 130.052 0.000 . 1 . . . . . . . . . 5072 1 822 . 1 1 75 75 LEU H H 1 8.561 0.000 . 1 . . . . . . . . . 5072 1 823 . 1 1 75 75 LEU CA C 13 51.640 0.000 . 1 . . . . . . . . . 5072 1 824 . 1 1 75 75 LEU HA H 1 5.046 0.000 . 1 . . . . . . . . . 5072 1 825 . 1 1 75 75 LEU CB C 13 45.350 0.000 . 1 . . . . . . . . . 5072 1 826 . 1 1 75 75 LEU HB2 H 1 1.987 0.000 . 2 . . . . . . . . . 5072 1 827 . 1 1 75 75 LEU HB3 H 1 0.964 0.000 . 2 . . . . . . . . . 5072 1 828 . 1 1 75 75 LEU CG C 13 27.030 0.000 . 1 . . . . . . . . . 5072 1 829 . 1 1 75 75 LEU HG H 1 1.316 0.000 . 1 . . . . . . . . . 5072 1 830 . 1 1 75 75 LEU HD11 H 1 0.569 0.000 . 2 . . . . . . . . . 5072 1 831 . 1 1 75 75 LEU HD12 H 1 0.569 0.000 . 2 . . . . . . . . . 5072 1 832 . 1 1 75 75 LEU HD13 H 1 0.569 0.000 . 2 . . . . . . . . . 5072 1 833 . 1 1 75 75 LEU HD21 H 1 0.585 0.000 . 2 . . . . . . . . . 5072 1 834 . 1 1 75 75 LEU HD22 H 1 0.585 0.000 . 2 . . . . . . . . . 5072 1 835 . 1 1 75 75 LEU HD23 H 1 0.585 0.000 . 2 . . . . . . . . . 5072 1 836 . 1 1 75 75 LEU CD1 C 13 23.749 0.000 . 1 . . . . . . . . . 5072 1 837 . 1 1 75 75 LEU CD2 C 13 27.030 0.000 . 1 . . . . . . . . . 5072 1 838 . 1 1 75 75 LEU C C 13 173.501 0.000 . 1 . . . . . . . . . 5072 1 839 . 1 1 76 76 LYS N N 15 126.450 0.000 . 1 . . . . . . . . . 5072 1 840 . 1 1 76 76 LYS H H 1 8.271 0.000 . 1 . . . . . . . . . 5072 1 841 . 1 1 76 76 LYS CA C 13 54.848 0.000 . 1 . . . . . . . . . 5072 1 842 . 1 1 76 76 LYS HA H 1 4.523 0.000 . 1 . . . . . . . . . 5072 1 843 . 1 1 76 76 LYS CB C 13 32.417 0.000 . 1 . . . . . . . . . 5072 1 844 . 1 1 76 76 LYS HG2 H 1 1.219 0.000 . 1 . . . . . . . . . 5072 1 845 . 1 1 76 76 LYS HG3 H 1 1.219 0.000 . 1 . . . . . . . . . 5072 1 846 . 1 1 76 76 LYS HE2 H 1 2.981 0.000 . 1 . . . . . . . . . 5072 1 847 . 1 1 76 76 LYS HE3 H 1 2.981 0.000 . 1 . . . . . . . . . 5072 1 848 . 1 1 76 76 LYS C C 13 172.886 0.000 . 1 . . . . . . . . . 5072 1 849 . 1 1 77 77 ALA N N 15 124.373 0.000 . 1 . . . . . . . . . 5072 1 850 . 1 1 77 77 ALA H H 1 7.166 0.000 . 1 . . . . . . . . . 5072 1 851 . 1 1 77 77 ALA CA C 13 49.179 0.000 . 1 . . . . . . . . . 5072 1 852 . 1 1 77 77 ALA HA H 1 4.838 0.000 . 1 . . . . . . . . . 5072 1 853 . 1 1 77 77 ALA HB1 H 1 0.869 0.000 . 1 . . . . . . . . . 5072 1 854 . 1 1 77 77 ALA HB2 H 1 0.869 0.000 . 1 . . . . . . . . . 5072 1 855 . 1 1 77 77 ALA HB3 H 1 0.869 0.000 . 1 . . . . . . . . . 5072 1 856 . 1 1 77 77 ALA CB C 13 19.990 0.000 . 1 . . . . . . . . . 5072 1 857 . 1 1 77 77 ALA C C 13 173.366 0.000 . 1 . . . . . . . . . 5072 1 858 . 1 1 78 78 ARG N N 15 118.030 0.000 . 1 . . . . . . . . . 5072 1 859 . 1 1 78 78 ARG H H 1 7.959 0.000 . 1 . . . . . . . . . 5072 1 860 . 1 1 78 78 ARG CA C 13 54.470 0.000 . 1 . . . . . . . . . 5072 1 861 . 1 1 78 78 ARG HA H 1 4.618 0.000 . 1 . . . . . . . . . 5072 1 862 . 1 1 78 78 ARG CB C 13 30.571 0.000 . 1 . . . . . . . . . 5072 1 863 . 1 1 78 78 ARG HB2 H 1 1.829 0.000 . 1 . . . . . . . . . 5072 1 864 . 1 1 78 78 ARG HB3 H 1 1.829 0.000 . 1 . . . . . . . . . 5072 1 865 . 1 1 78 78 ARG HG2 H 1 1.734 0.000 . 2 . . . . . . . . . 5072 1 866 . 1 1 78 78 ARG HG3 H 1 1.549 0.000 . 2 . . . . . . . . . 5072 1 867 . 1 1 78 78 ARG HD2 H 1 3.196 0.000 . 1 . . . . . . . . . 5072 1 868 . 1 1 78 78 ARG HD3 H 1 3.196 0.000 . 1 . . . . . . . . . 5072 1 869 . 1 1 78 78 ARG C C 13 175.573 0.000 . 1 . . . . . . . . . 5072 1 870 . 1 1 79 79 VAL N N 15 119.927 0.000 . 1 . . . . . . . . . 5072 1 871 . 1 1 79 79 VAL H H 1 8.612 0.000 . 1 . . . . . . . . . 5072 1 872 . 1 1 79 79 VAL CA C 13 60.116 0.000 . 1 . . . . . . . . . 5072 1 873 . 1 1 79 79 VAL HA H 1 4.309 0.000 . 1 . . . . . . . . . 5072 1 874 . 1 1 79 79 VAL CB C 13 33.046 0.000 . 1 . . . . . . . . . 5072 1 875 . 1 1 79 79 VAL HB H 1 2.235 0.000 . 1 . . . . . . . . . 5072 1 876 . 1 1 79 79 VAL HG11 H 1 0.654 0.000 . 2 . . . . . . . . . 5072 1 877 . 1 1 79 79 VAL HG12 H 1 0.654 0.000 . 2 . . . . . . . . . 5072 1 878 . 1 1 79 79 VAL HG13 H 1 0.654 0.000 . 2 . . . . . . . . . 5072 1 879 . 1 1 79 79 VAL HG21 H 1 0.789 0.000 . 2 . . . . . . . . . 5072 1 880 . 1 1 79 79 VAL HG22 H 1 0.789 0.000 . 2 . . . . . . . . . 5072 1 881 . 1 1 79 79 VAL HG23 H 1 0.789 0.000 . 2 . . . . . . . . . 5072 1 882 . 1 1 79 79 VAL CG1 C 13 21.015 0.000 . 1 . . . . . . . . . 5072 1 883 . 1 1 79 79 VAL CG2 C 13 19.374 0.000 . 1 . . . . . . . . . 5072 1 884 . 1 1 79 79 VAL C C 13 175.408 0.000 . 1 . . . . . . . . . 5072 1 885 . 1 1 80 80 GLY N N 15 110.364 0.000 . 1 . . . . . . . . . 5072 1 886 . 1 1 80 80 GLY H H 1 8.334 0.000 . 1 . . . . . . . . . 5072 1 887 . 1 1 80 80 GLY CA C 13 44.257 0.000 . 1 . . . . . . . . . 5072 1 888 . 1 1 80 80 GLY HA2 H 1 4.107 0.000 . 2 . . . . . . . . . 5072 1 889 . 1 1 80 80 GLY HA3 H 1 3.938 0.000 . 2 . . . . . . . . . 5072 1 890 . 1 1 80 80 GLY C C 13 173.585 0.000 . 1 . . . . . . . . . 5072 1 891 . 1 1 81 81 SER N N 15 115.623 0.000 . 1 . . . . . . . . . 5072 1 892 . 1 1 81 81 SER H H 1 8.465 0.000 . 1 . . . . . . . . . 5072 1 893 . 1 1 81 81 SER CA C 13 57.108 0.000 . 1 . . . . . . . . . 5072 1 894 . 1 1 81 81 SER HA H 1 4.494 0.000 . 1 . . . . . . . . . 5072 1 895 . 1 1 81 81 SER CB C 13 63.397 0.000 . 1 . . . . . . . . . 5072 1 896 . 1 1 81 81 SER HB2 H 1 3.928 0.000 . 2 . . . . . . . . . 5072 1 897 . 1 1 81 81 SER HB3 H 1 3.846 0.000 . 2 . . . . . . . . . 5072 1 898 . 1 1 81 81 SER C C 13 174.591 0.000 . 1 . . . . . . . . . 5072 1 899 . 1 1 82 82 ALA N N 15 126.169 0.000 . 1 . . . . . . . . . 5072 1 900 . 1 1 82 82 ALA H H 1 8.638 0.000 . 1 . . . . . . . . . 5072 1 901 . 1 1 82 82 ALA CA C 13 52.422 0.000 . 1 . . . . . . . . . 5072 1 902 . 1 1 82 82 ALA HA H 1 4.305 0.000 . 1 . . . . . . . . . 5072 1 903 . 1 1 82 82 ALA HB1 H 1 1.412 0.000 . 1 . . . . . . . . . 5072 1 904 . 1 1 82 82 ALA HB2 H 1 1.412 0.000 . 1 . . . . . . . . . 5072 1 905 . 1 1 82 82 ALA HB3 H 1 1.412 0.000 . 1 . . . . . . . . . 5072 1 906 . 1 1 82 82 ALA CB C 13 17.684 0.000 . 1 . . . . . . . . . 5072 1 907 . 1 1 82 82 ALA C C 13 177.736 0.000 . 1 . . . . . . . . . 5072 1 908 . 1 1 83 83 ASP N N 15 118.521 0.000 . 1 . . . . . . . . . 5072 1 909 . 1 1 83 83 ASP H H 1 8.326 0.000 . 1 . . . . . . . . . 5072 1 910 . 1 1 83 83 ASP CA C 13 54.017 0.000 . 1 . . . . . . . . . 5072 1 911 . 1 1 83 83 ASP HA H 1 4.580 0.000 . 1 . . . . . . . . . 5072 1 912 . 1 1 83 83 ASP CB C 13 39.718 0.000 . 1 . . . . . . . . . 5072 1 913 . 1 1 83 83 ASP C C 13 176.102 0.000 . 1 . . . . . . . . . 5072 1 914 . 1 1 84 84 ASP N N 15 120.615 0.000 . 1 . . . . . . . . . 5072 1 915 . 1 1 84 84 ASP H H 1 8.137 0.000 . 1 . . . . . . . . . 5072 1 916 . 1 1 103 103 ASP N N 15 121.341 0.000 . 1 . . . . . . . . . 5072 1 917 . 1 1 103 103 ASP H H 1 8.429 0.000 . 1 . . . . . . . . . 5072 1 918 . 1 1 103 103 ASP CA C 13 53.557 0.000 . 1 . . . . . . . . . 5072 1 919 . 1 1 103 103 ASP HA H 1 4.634 0.000 . 1 . . . . . . . . . 5072 1 920 . 1 1 103 103 ASP CB C 13 40.047 0.000 . 1 . . . . . . . . . 5072 1 921 . 1 1 103 103 ASP HB2 H 1 2.724 0.000 . 1 . . . . . . . . . 5072 1 922 . 1 1 103 103 ASP HB3 H 1 2.724 0.000 . 1 . . . . . . . . . 5072 1 923 . 1 1 103 103 ASP C C 13 176.504 0.000 . 1 . . . . . . . . . 5072 1 924 . 1 1 104 104 GLY N N 15 109.641 0.000 . 1 . . . . . . . . . 5072 1 925 . 1 1 104 104 GLY H H 1 8.439 0.000 . 1 . . . . . . . . . 5072 1 926 . 1 1 104 104 GLY CA C 13 44.530 0.000 . 1 . . . . . . . . . 5072 1 927 . 1 1 104 104 GLY HA2 H 1 3.981 0.000 . 1 . . . . . . . . . 5072 1 928 . 1 1 104 104 GLY HA3 H 1 3.981 0.000 . 1 . . . . . . . . . 5072 1 929 . 1 1 104 104 GLY C C 13 174.342 0.000 . 1 . . . . . . . . . 5072 1 930 . 1 1 105 105 SER N N 15 115.685 0.000 . 1 . . . . . . . . . 5072 1 931 . 1 1 105 105 SER H H 1 8.323 0.000 . 1 . . . . . . . . . 5072 1 932 . 1 1 105 105 SER CA C 13 58.202 0.000 . 1 . . . . . . . . . 5072 1 933 . 1 1 105 105 SER HA H 1 4.402 0.000 . 1 . . . . . . . . . 5072 1 934 . 1 1 105 105 SER CB C 13 63.124 0.000 . 1 . . . . . . . . . 5072 1 935 . 1 1 105 105 SER HB2 H 1 3.918 0.000 . 2 . . . . . . . . . 5072 1 936 . 1 1 105 105 SER HB3 H 1 3.878 0.000 . 2 . . . . . . . . . 5072 1 937 . 1 1 105 105 SER C C 13 174.658 0.000 . 1 . . . . . . . . . 5072 1 938 . 1 1 106 106 GLN N N 15 121.679 0.000 . 1 . . . . . . . . . 5072 1 939 . 1 1 106 106 GLN H H 1 8.497 0.000 . 1 . . . . . . . . . 5072 1 940 . 1 1 106 106 GLN CA C 13 55.194 0.000 . 1 . . . . . . . . . 5072 1 941 . 1 1 106 106 GLN HA H 1 4.411 0.000 . 1 . . . . . . . . . 5072 1 942 . 1 1 106 106 GLN CB C 13 28.397 0.000 . 1 . . . . . . . . . 5072 1 943 . 1 1 106 106 GLN HB2 H 1 2.160 0.000 . 2 . . . . . . . . . 5072 1 944 . 1 1 106 106 GLN HB3 H 1 1.993 0.000 . 2 . . . . . . . . . 5072 1 945 . 1 1 106 106 GLN CG C 13 33.046 0.000 . 1 . . . . . . . . . 5072 1 946 . 1 1 106 106 GLN HG2 H 1 2.362 0.000 . 1 . . . . . . . . . 5072 1 947 . 1 1 106 106 GLN HG3 H 1 2.362 0.000 . 1 . . . . . . . . . 5072 1 948 . 1 1 106 106 GLN NE2 N 15 112.333 0.000 . 1 . . . . . . . . . 5072 1 949 . 1 1 106 106 GLN HE21 H 1 7.535 0.000 . 2 . . . . . . . . . 5072 1 950 . 1 1 106 106 GLN HE22 H 1 6.882 0.000 . 2 . . . . . . . . . 5072 1 951 . 1 1 106 106 GLN C C 13 176.084 0.000 . 1 . . . . . . . . . 5072 1 952 . 1 1 107 107 THR N N 15 114.382 0.000 . 1 . . . . . . . . . 5072 1 953 . 1 1 107 107 THR H H 1 8.124 0.000 . 1 . . . . . . . . . 5072 1 954 . 1 1 107 107 THR CA C 13 61.483 0.000 . 1 . . . . . . . . . 5072 1 955 . 1 1 107 107 THR HA H 1 4.281 0.000 . 1 . . . . . . . . . 5072 1 956 . 1 1 107 107 THR CB C 13 68.866 0.000 . 1 . . . . . . . . . 5072 1 957 . 1 1 107 107 THR HB H 1 4.193 0.000 . 1 . . . . . . . . . 5072 1 958 . 1 1 107 107 THR HG21 H 1 1.171 0.000 . 1 . . . . . . . . . 5072 1 959 . 1 1 107 107 THR HG22 H 1 1.171 0.000 . 1 . . . . . . . . . 5072 1 960 . 1 1 107 107 THR HG23 H 1 1.171 0.000 . 1 . . . . . . . . . 5072 1 961 . 1 1 107 107 THR CG2 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 962 . 1 1 107 107 THR C C 13 174.087 0.000 . 1 . . . . . . . . . 5072 1 963 . 1 1 108 108 ASN N N 15 120.921 0.000 . 1 . . . . . . . . . 5072 1 964 . 1 1 108 108 ASN H H 1 8.429 0.000 . 1 . . . . . . . . . 5072 1 965 . 1 1 108 108 ASN CA C 13 52.563 0.000 . 1 . . . . . . . . . 5072 1 966 . 1 1 108 108 ASN HA H 1 4.655 0.000 . 1 . . . . . . . . . 5072 1 967 . 1 1 108 108 ASN CB C 13 37.659 0.000 . 1 . . . . . . . . . 5072 1 968 . 1 1 108 108 ASN HB2 H 1 2.753 0.000 . 1 . . . . . . . . . 5072 1 969 . 1 1 108 108 ASN HB3 H 1 2.753 0.000 . 1 . . . . . . . . . 5072 1 970 . 1 1 108 108 ASN C C 13 174.897 0.000 . 1 . . . . . . . . . 5072 1 971 . 1 1 113 113 LEU CA C 13 54.647 0.000 . 1 . . . . . . . . . 5072 1 972 . 1 1 113 113 LEU HA H 1 4.351 0.000 . 1 . . . . . . . . . 5072 1 973 . 1 1 113 113 LEU CB C 13 41.522 0.000 . 1 . . . . . . . . . 5072 1 974 . 1 1 113 113 LEU HB2 H 1 1.589 0.000 . 1 . . . . . . . . . 5072 1 975 . 1 1 113 113 LEU HB3 H 1 1.589 0.000 . 1 . . . . . . . . . 5072 1 976 . 1 1 113 113 LEU CG C 13 26.210 0.000 . 1 . . . . . . . . . 5072 1 977 . 1 1 113 113 LEU HG H 1 1.575 0.000 . 1 . . . . . . . . . 5072 1 978 . 1 1 113 113 LEU HD11 H 1 0.892 0.000 . 2 . . . . . . . . . 5072 1 979 . 1 1 113 113 LEU HD12 H 1 0.892 0.000 . 2 . . . . . . . . . 5072 1 980 . 1 1 113 113 LEU HD13 H 1 0.892 0.000 . 2 . . . . . . . . . 5072 1 981 . 1 1 113 113 LEU HD21 H 1 0.831 0.000 . 2 . . . . . . . . . 5072 1 982 . 1 1 113 113 LEU HD22 H 1 0.831 0.000 . 2 . . . . . . . . . 5072 1 983 . 1 1 113 113 LEU HD23 H 1 0.831 0.000 . 2 . . . . . . . . . 5072 1 984 . 1 1 113 113 LEU CD1 C 13 24.022 0.000 . 1 . . . . . . . . . 5072 1 985 . 1 1 113 113 LEU CD2 C 13 22.655 0.000 . 1 . . . . . . . . . 5072 1 986 . 1 1 113 113 LEU C C 13 176.861 0.000 . 1 . . . . . . . . . 5072 1 987 . 1 1 114 114 VAL N N 15 120.541 0.000 . 1 . . . . . . . . . 5072 1 988 . 1 1 114 114 VAL H H 1 8.070 0.000 . 1 . . . . . . . . . 5072 1 989 . 1 1 114 114 VAL CA C 13 61.483 0.000 . 1 . . . . . . . . . 5072 1 990 . 1 1 114 114 VAL HA H 1 4.091 0.000 . 1 . . . . . . . . . 5072 1 991 . 1 1 114 114 VAL CB C 13 32.225 0.000 . 1 . . . . . . . . . 5072 1 992 . 1 1 114 114 VAL HB H 1 2.030 0.000 . 1 . . . . . . . . . 5072 1 993 . 1 1 114 114 VAL HG11 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 994 . 1 1 114 114 VAL HG12 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 995 . 1 1 114 114 VAL HG13 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 996 . 1 1 114 114 VAL HG21 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 997 . 1 1 114 114 VAL HG22 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 998 . 1 1 114 114 VAL HG23 H 1 0.902 0.000 . 1 . . . . . . . . . 5072 1 999 . 1 1 114 114 VAL CG1 C 13 19.921 0.000 . 1 . . . . . . . . . 5072 1 1000 . 1 1 114 114 VAL CG2 C 13 19.921 0.000 . 1 . . . . . . . . . 5072 1 1001 . 1 1 114 114 VAL C C 13 175.500 0.000 . 1 . . . . . . . . . 5072 1 1002 . 1 1 115 115 GLN N N 15 123.382 0.000 . 1 . . . . . . . . . 5072 1 1003 . 1 1 115 115 GLN H H 1 8.433 0.000 . 1 . . . . . . . . . 5072 1 1004 . 1 1 115 115 GLN CA C 13 53.347 0.000 . 1 . . . . . . . . . 5072 1 1005 . 1 1 115 115 GLN HA H 1 4.846 0.000 . 1 . . . . . . . . . 5072 1 1006 . 1 1 115 115 GLN CB C 13 30.506 0.000 . 1 . . . . . . . . . 5072 1 1007 . 1 1 115 115 GLN HB2 H 1 1.839 0.000 . 1 . . . . . . . . . 5072 1 1008 . 1 1 115 115 GLN HB3 H 1 1.839 0.000 . 1 . . . . . . . . . 5072 1 1009 . 1 1 115 115 GLN HG2 H 1 2.136 0.000 . 1 . . . . . . . . . 5072 1 1010 . 1 1 115 115 GLN HG3 H 1 2.136 0.000 . 1 . . . . . . . . . 5072 1 1011 . 1 1 115 115 GLN C C 13 174.778 0.000 . 1 . . . . . . . . . 5072 1 1012 . 1 1 116 116 VAL N N 15 120.475 0.000 . 1 . . . . . . . . . 5072 1 1013 . 1 1 116 116 VAL H H 1 8.017 0.000 . 1 . . . . . . . . . 5072 1 1014 . 1 1 116 116 VAL CA C 13 60.663 0.000 . 1 . . . . . . . . . 5072 1 1015 . 1 1 116 116 VAL HA H 1 4.289 0.000 . 1 . . . . . . . . . 5072 1 1016 . 1 1 116 116 VAL CB C 13 32.499 0.000 . 1 . . . . . . . . . 5072 1 1017 . 1 1 116 116 VAL HB H 1 0.952 0.000 . 1 . . . . . . . . . 5072 1 1018 . 1 1 116 116 VAL HG11 H 1 0.345 0.000 . 2 . . . . . . . . . 5072 1 1019 . 1 1 116 116 VAL HG12 H 1 0.345 0.000 . 2 . . . . . . . . . 5072 1 1020 . 1 1 116 116 VAL HG13 H 1 0.345 0.000 . 2 . . . . . . . . . 5072 1 1021 . 1 1 116 116 VAL HG21 H 1 0.314 0.000 . 2 . . . . . . . . . 5072 1 1022 . 1 1 116 116 VAL HG22 H 1 0.314 0.000 . 2 . . . . . . . . . 5072 1 1023 . 1 1 116 116 VAL HG23 H 1 0.314 0.000 . 2 . . . . . . . . . 5072 1 1024 . 1 1 116 116 VAL CG1 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 1025 . 1 1 116 116 VAL CG2 C 13 20.741 0.000 . 1 . . . . . . . . . 5072 1 1026 . 1 1 116 116 VAL C C 13 175.304 0.000 . 1 . . . . . . . . . 5072 1 1027 . 1 1 117 117 ASP N N 15 126.950 0.000 . 1 . . . . . . . . . 5072 1 1028 . 1 1 117 117 ASP H H 1 9.177 0.000 . 1 . . . . . . . . . 5072 1 1029 . 1 1 117 117 ASP CA C 13 52.356 0.000 . 1 . . . . . . . . . 5072 1 1030 . 1 1 117 117 ASP HA H 1 4.839 0.000 . 1 . . . . . . . . . 5072 1 1031 . 1 1 117 117 ASP CB C 13 40.953 0.000 . 1 . . . . . . . . . 5072 1 1032 . 1 1 117 117 ASP HB2 H 1 2.836 0.000 . 2 . . . . . . . . . 5072 1 1033 . 1 1 117 117 ASP HB3 H 1 2.482 0.000 . 2 . . . . . . . . . 5072 1 1034 . 1 1 117 117 ASP C C 13 175.979 0.000 . 1 . . . . . . . . . 5072 1 1035 . 1 1 118 118 GLY N N 15 114.865 0.000 . 1 . . . . . . . . . 5072 1 1036 . 1 1 118 118 GLY H H 1 8.788 0.000 . 1 . . . . . . . . . 5072 1 1037 . 1 1 118 118 GLY CA C 13 44.530 0.000 . 1 . . . . . . . . . 5072 1 1038 . 1 1 118 118 GLY HA2 H 1 4.712 0.000 . 2 . . . . . . . . . 5072 1 1039 . 1 1 118 118 GLY HA3 H 1 3.705 0.000 . 2 . . . . . . . . . 5072 1 1040 . 1 1 118 118 GLY C C 13 175.453 0.000 . 1 . . . . . . . . . 5072 1 1041 . 1 1 119 119 SER N N 15 117.014 0.000 . 1 . . . . . . . . . 5072 1 1042 . 1 1 119 119 SER H H 1 8.546 0.000 . 1 . . . . . . . . . 5072 1 1043 . 1 1 119 119 SER CA C 13 58.475 0.000 . 1 . . . . . . . . . 5072 1 1044 . 1 1 119 119 SER HA H 1 4.443 0.000 . 1 . . . . . . . . . 5072 1 1045 . 1 1 119 119 SER CB C 13 63.397 0.000 . 1 . . . . . . . . . 5072 1 1046 . 1 1 119 119 SER HB2 H 1 3.931 0.000 . 1 . . . . . . . . . 5072 1 1047 . 1 1 119 119 SER HB3 H 1 3.931 0.000 . 1 . . . . . . . . . 5072 1 1048 . 1 1 119 119 SER C C 13 175.093 0.000 . 1 . . . . . . . . . 5072 1 1049 . 1 1 120 120 ARG N N 15 122.773 0.000 . 1 . . . . . . . . . 5072 1 1050 . 1 1 120 120 ARG H H 1 8.500 0.000 . 1 . . . . . . . . . 5072 1 1051 . 1 1 120 120 ARG CA C 13 56.288 0.000 . 1 . . . . . . . . . 5072 1 1052 . 1 1 120 120 ARG HA H 1 4.178 0.000 . 1 . . . . . . . . . 5072 1 1053 . 1 1 120 120 ARG CB C 13 29.765 0.000 . 1 . . . . . . . . . 5072 1 1054 . 1 1 120 120 ARG HB2 H 1 1.879 0.000 . 2 . . . . . . . . . 5072 1 1055 . 1 1 120 120 ARG HB3 H 1 1.754 0.000 . 2 . . . . . . . . . 5072 1 1056 . 1 1 120 120 ARG CG C 13 26.483 0.000 . 1 . . . . . . . . . 5072 1 1057 . 1 1 120 120 ARG HG2 H 1 1.582 0.000 . 1 . . . . . . . . . 5072 1 1058 . 1 1 120 120 ARG HG3 H 1 1.582 0.000 . 1 . . . . . . . . . 5072 1 1059 . 1 1 120 120 ARG CD C 13 42.343 0.000 . 1 . . . . . . . . . 5072 1 1060 . 1 1 120 120 ARG HD2 H 1 3.084 0.000 . 1 . . . . . . . . . 5072 1 1061 . 1 1 120 120 ARG HD3 H 1 3.084 0.000 . 1 . . . . . . . . . 5072 1 1062 . 1 1 120 120 ARG HE H 1 7.264 0.000 . 1 . . . . . . . . . 5072 1 1063 . 1 1 120 120 ARG NE N 15 83.527 0.000 . 1 . . . . . . . . . 5072 1 1064 . 1 1 120 120 ARG C C 13 178.531 0.000 . 1 . . . . . . . . . 5072 1 1065 . 1 1 121 121 GLY N N 15 108.867 0.000 . 1 . . . . . . . . . 5072 1 1066 . 1 1 121 121 GLY H H 1 8.607 0.000 . 1 . . . . . . . . . 5072 1 1067 . 1 1 121 121 GLY CA C 13 45.350 0.000 . 1 . . . . . . . . . 5072 1 1068 . 1 1 121 121 GLY HA2 H 1 3.932 0.000 . 1 . . . . . . . . . 5072 1 1069 . 1 1 121 121 GLY HA3 H 1 3.932 0.000 . 1 . . . . . . . . . 5072 1 1070 . 1 1 121 121 GLY C C 13 173.892 0.000 . 1 . . . . . . . . . 5072 1 1071 . 1 1 122 122 ASP N N 15 117.396 0.000 . 1 . . . . . . . . . 5072 1 1072 . 1 1 122 122 ASP H H 1 7.879 0.000 . 1 . . . . . . . . . 5072 1 1073 . 1 1 122 122 ASP CA C 13 52.460 0.000 . 1 . . . . . . . . . 5072 1 1074 . 1 1 122 122 ASP HA H 1 4.558 0.000 . 1 . . . . . . . . . 5072 1 1075 . 1 1 122 122 ASP CB C 13 39.608 0.000 . 1 . . . . . . . . . 5072 1 1076 . 1 1 122 122 ASP HB2 H 1 2.976 0.000 . 2 . . . . . . . . . 5072 1 1077 . 1 1 122 122 ASP HB3 H 1 2.547 0.000 . 2 . . . . . . . . . 5072 1 1078 . 1 1 122 122 ASP C C 13 176.880 0.000 . 1 . . . . . . . . . 5072 1 1079 . 1 1 123 123 GLY N N 15 108.114 0.000 . 1 . . . . . . . . . 5072 1 1080 . 1 1 123 123 GLY H H 1 8.106 0.000 . 1 . . . . . . . . . 5072 1 1081 . 1 1 123 123 GLY CA C 13 44.804 0.000 . 1 . . . . . . . . . 5072 1 1082 . 1 1 123 123 GLY HA2 H 1 3.720 0.000 . 2 . . . . . . . . . 5072 1 1083 . 1 1 123 123 GLY HA3 H 1 4.161 0.000 . 2 . . . . . . . . . 5072 1 1084 . 1 1 123 123 GLY C C 13 173.847 0.000 . 1 . . . . . . . . . 5072 1 1085 . 1 1 124 124 SER N N 15 116.391 0.000 . 1 . . . . . . . . . 5072 1 1086 . 1 1 124 124 SER H H 1 7.954 0.000 . 1 . . . . . . . . . 5072 1 1087 . 1 1 124 124 SER CA C 13 57.929 0.000 . 1 . . . . . . . . . 5072 1 1088 . 1 1 124 124 SER HA H 1 4.304 0.000 . 1 . . . . . . . . . 5072 1 1089 . 1 1 124 124 SER CB C 13 63.397 0.000 . 1 . . . . . . . . . 5072 1 1090 . 1 1 124 124 SER HB2 H 1 3.661 0.000 . 1 . . . . . . . . . 5072 1 1091 . 1 1 124 124 SER HB3 H 1 3.661 0.000 . 1 . . . . . . . . . 5072 1 1092 . 1 1 124 124 SER C C 13 173.382 0.000 . 1 . . . . . . . . . 5072 1 1093 . 1 1 125 125 VAL N N 15 122.829 0.000 . 1 . . . . . . . . . 5072 1 1094 . 1 1 125 125 VAL H H 1 7.889 0.000 . 1 . . . . . . . . . 5072 1 1095 . 1 1 125 125 VAL CA C 13 61.483 0.000 . 1 . . . . . . . . . 5072 1 1096 . 1 1 125 125 VAL HA H 1 4.021 0.000 . 1 . . . . . . . . . 5072 1 1097 . 1 1 125 125 VAL CB C 13 32.225 0.000 . 1 . . . . . . . . . 5072 1 1098 . 1 1 125 125 VAL HB H 1 1.616 0.000 . 1 . . . . . . . . . 5072 1 1099 . 1 1 125 125 VAL HG11 H 1 0.535 0.000 . 2 . . . . . . . . . 5072 1 1100 . 1 1 125 125 VAL HG12 H 1 0.535 0.000 . 2 . . . . . . . . . 5072 1 1101 . 1 1 125 125 VAL HG13 H 1 0.535 0.000 . 2 . . . . . . . . . 5072 1 1102 . 1 1 125 125 VAL HG21 H 1 0.491 0.000 . 2 . . . . . . . . . 5072 1 1103 . 1 1 125 125 VAL HG22 H 1 0.491 0.000 . 2 . . . . . . . . . 5072 1 1104 . 1 1 125 125 VAL HG23 H 1 0.491 0.000 . 2 . . . . . . . . . 5072 1 1105 . 1 1 125 125 VAL CG1 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 1106 . 1 1 125 125 VAL CG2 C 13 19.647 0.000 . 1 . . . . . . . . . 5072 1 1107 . 1 1 125 125 VAL C C 13 172.615 0.000 . 1 . . . . . . . . . 5072 1 1108 . 1 1 126 126 LEU N N 15 126.481 0.000 . 1 . . . . . . . . . 5072 1 1109 . 1 1 126 126 LEU H H 1 7.930 0.000 . 1 . . . . . . . . . 5072 1 1110 . 1 1 126 126 LEU CA C 13 52.186 0.000 . 1 . . . . . . . . . 5072 1 1111 . 1 1 126 126 LEU HA H 1 4.862 0.000 . 1 . . . . . . . . . 5072 1 1112 . 1 1 126 126 LEU CB C 13 44.530 0.000 . 1 . . . . . . . . . 5072 1 1113 . 1 1 126 126 LEU HB2 H 1 1.523 0.000 . 2 . . . . . . . . . 5072 1 1114 . 1 1 126 126 LEU HB3 H 1 1.400 0.000 . 2 . . . . . . . . . 5072 1 1115 . 1 1 126 126 LEU CG C 13 26.483 0.000 . 1 . . . . . . . . . 5072 1 1116 . 1 1 126 126 LEU HG H 1 1.402 0.000 . 1 . . . . . . . . . 5072 1 1117 . 1 1 126 126 LEU HD11 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1118 . 1 1 126 126 LEU HD12 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1119 . 1 1 126 126 LEU HD13 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1120 . 1 1 126 126 LEU HD21 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1121 . 1 1 126 126 LEU HD22 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1122 . 1 1 126 126 LEU HD23 H 1 0.683 0.000 . 1 . . . . . . . . . 5072 1 1123 . 1 1 126 126 LEU CD1 C 13 23.749 0.000 . 1 . . . . . . . . . 5072 1 1124 . 1 1 126 126 LEU CD2 C 13 23.749 0.000 . 1 . . . . . . . . . 5072 1 1125 . 1 1 126 126 LEU C C 13 175.439 0.000 . 1 . . . . . . . . . 5072 1 1126 . 1 1 127 127 LEU N N 15 122.458 0.000 . 1 . . . . . . . . . 5072 1 1127 . 1 1 127 127 LEU H H 1 8.898 0.000 . 1 . . . . . . . . . 5072 1 1128 . 1 1 127 127 LEU CA C 13 52.186 0.000 . 1 . . . . . . . . . 5072 1 1129 . 1 1 127 127 LEU HA H 1 5.215 0.000 . 1 . . . . . . . . . 5072 1 1130 . 1 1 127 127 LEU CB C 13 42.230 0.000 . 1 . . . . . . . . . 5072 1 1131 . 1 1 127 127 LEU HB2 H 1 1.136 0.000 . 1 . . . . . . . . . 5072 1 1132 . 1 1 127 127 LEU HB3 H 1 1.136 0.000 . 1 . . . . . . . . . 5072 1 1133 . 1 1 127 127 LEU CG C 13 25.936 0.000 . 1 . . . . . . . . . 5072 1 1134 . 1 1 127 127 LEU HG H 1 1.203 0.000 . 1 . . . . . . . . . 5072 1 1135 . 1 1 127 127 LEU HD11 H 1 0.157 0.000 . 2 . . . . . . . . . 5072 1 1136 . 1 1 127 127 LEU HD12 H 1 0.157 0.000 . 2 . . . . . . . . . 5072 1 1137 . 1 1 127 127 LEU HD13 H 1 0.157 0.000 . 2 . . . . . . . . . 5072 1 1138 . 1 1 127 127 LEU HD21 H 1 0.471 0.000 . 2 . . . . . . . . . 5072 1 1139 . 1 1 127 127 LEU HD22 H 1 0.471 0.000 . 2 . . . . . . . . . 5072 1 1140 . 1 1 127 127 LEU HD23 H 1 0.471 0.000 . 2 . . . . . . . . . 5072 1 1141 . 1 1 127 127 LEU CD1 C 13 25.090 0.000 . 1 . . . . . . . . . 5072 1 1142 . 1 1 127 127 LEU CD2 C 13 22.929 0.000 . 1 . . . . . . . . . 5072 1 1143 . 1 1 127 127 LEU C C 13 176.459 0.000 . 1 . . . . . . . . . 5072 1 1144 . 1 1 128 128 THR N N 15 114.225 0.000 . 1 . . . . . . . . . 5072 1 1145 . 1 1 128 128 THR H H 1 9.153 0.000 . 1 . . . . . . . . . 5072 1 1146 . 1 1 128 128 THR CA C 13 60.116 0.000 . 1 . . . . . . . . . 5072 1 1147 . 1 1 128 128 THR HA H 1 5.068 0.000 . 1 . . . . . . . . . 5072 1 1148 . 1 1 128 128 THR CB C 13 69.960 0.000 . 1 . . . . . . . . . 5072 1 1149 . 1 1 128 128 THR HB H 1 3.980 0.000 . 1 . . . . . . . . . 5072 1 1150 . 1 1 128 128 THR HG21 H 1 1.097 0.000 . 1 . . . . . . . . . 5072 1 1151 . 1 1 128 128 THR HG22 H 1 1.097 0.000 . 1 . . . . . . . . . 5072 1 1152 . 1 1 128 128 THR HG23 H 1 1.097 0.000 . 1 . . . . . . . . . 5072 1 1153 . 1 1 128 128 THR CG2 C 13 20.194 0.000 . 1 . . . . . . . . . 5072 1 1154 . 1 1 128 128 THR C C 13 173.246 0.000 . 1 . . . . . . . . . 5072 1 1155 . 1 1 129 129 CYS N N 15 124.427 0.000 . 1 . . . . . . . . . 5072 1 1156 . 1 1 129 129 CYS H H 1 9.345 0.000 . 1 . . . . . . . . . 5072 1 1157 . 1 1 129 129 CYS CA C 13 53.827 0.000 . 1 . . . . . . . . . 5072 1 1158 . 1 1 129 129 CYS HA H 1 5.022 0.000 . 1 . . . . . . . . . 5072 1 1159 . 1 1 129 129 CYS CB C 13 41.091 0.000 . 1 . . . . . . . . . 5072 1 1160 . 1 1 129 129 CYS HB2 H 1 3.118 0.000 . 2 . . . . . . . . . 5072 1 1161 . 1 1 129 129 CYS HB3 H 1 2.943 0.000 . 2 . . . . . . . . . 5072 1 1162 . 1 1 129 129 CYS C C 13 174.703 0.000 . 1 . . . . . . . . . 5072 1 1163 . 1 1 130 130 GLY N N 15 116.460 0.000 . 1 . . . . . . . . . 5072 1 1164 . 1 1 130 130 GLY H H 1 9.495 0.000 . 1 . . . . . . . . . 5072 1 1165 . 1 1 130 130 GLY CA C 13 45.027 0.000 . 1 . . . . . . . . . 5072 1 1166 . 1 1 130 130 GLY HA2 H 1 4.200 0.000 . 2 . . . . . . . . . 5072 1 1167 . 1 1 130 130 GLY HA3 H 1 3.666 0.000 . 2 . . . . . . . . . 5072 1 1168 . 1 1 130 130 GLY C C 13 174.417 0.000 . 1 . . . . . . . . . 5072 1 1169 . 1 1 131 131 LEU N N 15 119.171 0.000 . 1 . . . . . . . . . 5072 1 1170 . 1 1 131 131 LEU H H 1 7.036 0.000 . 1 . . . . . . . . . 5072 1 1171 . 1 1 131 131 LEU CA C 13 54.100 0.000 . 1 . . . . . . . . . 5072 1 1172 . 1 1 131 131 LEU HA H 1 4.425 0.000 . 1 . . . . . . . . . 5072 1 1173 . 1 1 131 131 LEU CB C 13 40.584 0.000 . 1 . . . . . . . . . 5072 1 1174 . 1 1 131 131 LEU HB2 H 1 1.518 0.000 . 2 . . . . . . . . . 5072 1 1175 . 1 1 131 131 LEU HB3 H 1 1.493 0.000 . 2 . . . . . . . . . 5072 1 1176 . 1 1 131 131 LEU CG C 13 26.210 0.000 . 1 . . . . . . . . . 5072 1 1177 . 1 1 131 131 LEU HG H 1 1.590 0.000 . 1 . . . . . . . . . 5072 1 1178 . 1 1 131 131 LEU HD11 H 1 0.776 0.000 . 2 . . . . . . . . . 5072 1 1179 . 1 1 131 131 LEU HD12 H 1 0.776 0.000 . 2 . . . . . . . . . 5072 1 1180 . 1 1 131 131 LEU HD13 H 1 0.776 0.000 . 2 . . . . . . . . . 5072 1 1181 . 1 1 131 131 LEU HD21 H 1 0.646 0.000 . 2 . . . . . . . . . 5072 1 1182 . 1 1 131 131 LEU HD22 H 1 0.646 0.000 . 2 . . . . . . . . . 5072 1 1183 . 1 1 131 131 LEU HD23 H 1 0.646 0.000 . 2 . . . . . . . . . 5072 1 1184 . 1 1 131 131 LEU CD1 C 13 25.116 0.000 . 1 . . . . . . . . . 5072 1 1185 . 1 1 131 131 LEU CD2 C 13 21.835 0.000 . 1 . . . . . . . . . 5072 1 1186 . 1 1 131 131 LEU C C 13 177.045 0.000 . 1 . . . . . . . . . 5072 1 1187 . 1 1 132 132 THR N N 15 110.845 0.000 . 1 . . . . . . . . . 5072 1 1188 . 1 1 132 132 THR H H 1 8.553 0.000 . 1 . . . . . . . . . 5072 1 1189 . 1 1 132 132 THR CA C 13 61.483 0.000 . 1 . . . . . . . . . 5072 1 1190 . 1 1 132 132 THR HA H 1 4.213 0.000 . 1 . . . . . . . . . 5072 1 1191 . 1 1 132 132 THR CB C 13 68.319 0.000 . 1 . . . . . . . . . 5072 1 1192 . 1 1 132 132 THR HB H 1 4.375 0.000 . 1 . . . . . . . . . 5072 1 1193 . 1 1 132 132 THR HG21 H 1 1.184 0.000 . 1 . . . . . . . . . 5072 1 1194 . 1 1 132 132 THR HG22 H 1 1.184 0.000 . 1 . . . . . . . . . 5072 1 1195 . 1 1 132 132 THR HG23 H 1 1.184 0.000 . 1 . . . . . . . . . 5072 1 1196 . 1 1 132 132 THR C C 13 174.538 0.000 . 1 . . . . . . . . . 5072 1 1197 . 1 1 133 133 ASP N N 15 121.003 0.000 . 1 . . . . . . . . . 5072 1 1198 . 1 1 133 133 ASP H H 1 7.804 0.000 . 1 . . . . . . . . . 5072 1 1199 . 1 1 133 133 ASP CA C 13 53.554 0.000 . 1 . . . . . . . . . 5072 1 1200 . 1 1 133 133 ASP HA H 1 4.342 0.000 . 1 . . . . . . . . . 5072 1 1201 . 1 1 133 133 ASP CB C 13 41.522 0.000 . 1 . . . . . . . . . 5072 1 1202 . 1 1 133 133 ASP HB2 H 1 2.706 0.000 . 2 . . . . . . . . . 5072 1 1203 . 1 1 133 133 ASP HB3 H 1 2.310 0.000 . 2 . . . . . . . . . 5072 1 1204 . 1 1 133 133 ASP C C 13 174.522 0.000 . 1 . . . . . . . . . 5072 1 1205 . 1 1 134 134 LYS N N 15 119.927 0.000 . 1 . . . . . . . . . 5072 1 1206 . 1 1 134 134 LYS H H 1 8.553 0.000 . 1 . . . . . . . . . 5072 1 1207 . 1 1 134 134 LYS CA C 13 57.108 0.000 . 1 . . . . . . . . . 5072 1 1208 . 1 1 134 134 LYS HA H 1 4.125 0.000 . 1 . . . . . . . . . 5072 1 1209 . 1 1 134 134 LYS CB C 13 31.679 0.000 . 1 . . . . . . . . . 5072 1 1210 . 1 1 134 134 LYS HB2 H 1 1.906 0.000 . 2 . . . . . . . . . 5072 1 1211 . 1 1 134 134 LYS HB3 H 1 1.845 0.000 . 2 . . . . . . . . . 5072 1 1212 . 1 1 134 134 LYS CG C 13 24.022 0.000 . 1 . . . . . . . . . 5072 1 1213 . 1 1 134 134 LYS HG2 H 1 1.575 0.000 . 2 . . . . . . . . . 5072 1 1214 . 1 1 134 134 LYS HG3 H 1 1.502 0.000 . 2 . . . . . . . . . 5072 1 1215 . 1 1 134 134 LYS HD2 H 1 1.698 0.000 . 1 . . . . . . . . . 5072 1 1216 . 1 1 134 134 LYS HD3 H 1 1.698 0.000 . 1 . . . . . . . . . 5072 1 1217 . 1 1 134 134 LYS HE2 H 1 3.009 0.000 . 1 . . . . . . . . . 5072 1 1218 . 1 1 134 134 LYS HE3 H 1 3.009 0.000 . 1 . . . . . . . . . 5072 1 1219 . 1 1 134 134 LYS C C 13 176.910 0.000 . 1 . . . . . . . . . 5072 1 1220 . 1 1 135 135 THR N N 15 112.982 0.000 . 1 . . . . . . . . . 5072 1 1221 . 1 1 135 135 THR H H 1 7.715 0.000 . 1 . . . . . . . . . 5072 1 1222 . 1 1 135 135 THR CA C 13 60.116 0.000 . 1 . . . . . . . . . 5072 1 1223 . 1 1 135 135 THR HA H 1 4.536 0.000 . 1 . . . . . . . . . 5072 1 1224 . 1 1 135 135 THR CB C 13 69.140 0.000 . 1 . . . . . . . . . 5072 1 1225 . 1 1 135 135 THR HB H 1 4.017 0.000 . 1 . . . . . . . . . 5072 1 1226 . 1 1 135 135 THR HG21 H 1 1.136 0.000 . 1 . . . . . . . . . 5072 1 1227 . 1 1 135 135 THR HG22 H 1 1.136 0.000 . 1 . . . . . . . . . 5072 1 1228 . 1 1 135 135 THR HG23 H 1 1.136 0.000 . 1 . . . . . . . . . 5072 1 1229 . 1 1 135 135 THR CG2 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 1230 . 1 1 135 135 THR C C 13 172.661 0.000 . 1 . . . . . . . . . 5072 1 1231 . 1 1 136 136 ILE N N 15 123.865 0.000 . 1 . . . . . . . . . 5072 1 1232 . 1 1 136 136 ILE H H 1 8.004 0.000 . 1 . . . . . . . . . 5072 1 1233 . 1 1 136 136 ILE CA C 13 56.561 0.000 . 1 . . . . . . . . . 5072 1 1234 . 1 1 136 136 ILE HA H 1 4.636 0.000 . 1 . . . . . . . . . 5072 1 1235 . 1 1 136 136 ILE CB C 13 39.847 0.000 . 1 . . . . . . . . . 5072 1 1236 . 1 1 136 136 ILE HB H 1 1.628 0.000 . 1 . . . . . . . . . 5072 1 1237 . 1 1 136 136 ILE HG21 H 1 0.394 0.000 . 1 . . . . . . . . . 5072 1 1238 . 1 1 136 136 ILE HG22 H 1 0.394 0.000 . 1 . . . . . . . . . 5072 1 1239 . 1 1 136 136 ILE HG23 H 1 0.394 0.000 . 1 . . . . . . . . . 5072 1 1240 . 1 1 136 136 ILE CG2 C 13 18.793 0.000 . 1 . . . . . . . . . 5072 1 1241 . 1 1 136 136 ILE CG1 C 13 25.902 0.000 . 1 . . . . . . . . . 5072 1 1242 . 1 1 136 136 ILE HG12 H 1 1.123 0.000 . 1 . . . . . . . . . 5072 1 1243 . 1 1 136 136 ILE HG13 H 1 1.123 0.000 . 1 . . . . . . . . . 5072 1 1244 . 1 1 136 136 ILE HD11 H 1 0.519 0.000 . 1 . . . . . . . . . 5072 1 1245 . 1 1 136 136 ILE HD12 H 1 0.519 0.000 . 1 . . . . . . . . . 5072 1 1246 . 1 1 136 136 ILE HD13 H 1 0.519 0.000 . 1 . . . . . . . . . 5072 1 1247 . 1 1 136 136 ILE CD1 C 13 11.136 0.000 . 1 . . . . . . . . . 5072 1 1248 . 1 1 136 136 ILE C C 13 174.940 0.000 . 1 . . . . . . . . . 5072 1 1249 . 1 1 137 137 LYS N N 15 122.781 0.000 . 1 . . . . . . . . . 5072 1 1250 . 1 1 137 137 LYS H H 1 8.603 0.000 . 1 . . . . . . . . . 5072 1 1251 . 1 1 137 137 LYS CA C 13 53.273 0.000 . 1 . . . . . . . . . 5072 1 1252 . 1 1 137 137 LYS CB C 13 34.446 0.000 . 1 . . . . . . . . . 5072 1 1253 . 1 1 137 137 LYS C C 13 174.344 0.000 . 1 . . . . . . . . . 5072 1 1254 . 1 1 138 138 TRP CA C 13 56.015 0.000 . 1 . . . . . . . . . 5072 1 1255 . 1 1 138 138 TRP HA H 1 4.871 0.000 . 1 . . . . . . . . . 5072 1 1256 . 1 1 138 138 TRP CB C 13 30.657 0.000 . 1 . . . . . . . . . 5072 1 1257 . 1 1 138 138 TRP HB2 H 1 2.587 0.000 . 2 . . . . . . . . . 5072 1 1258 . 1 1 138 138 TRP HB3 H 1 2.108 0.000 . 2 . . . . . . . . . 5072 1 1259 . 1 1 138 138 TRP HD1 H 1 7.483 0.000 . 1 . . . . . . . . . 5072 1 1260 . 1 1 138 138 TRP HE3 H 1 7.277 0.000 . 1 . . . . . . . . . 5072 1 1261 . 1 1 138 138 TRP HZ3 H 1 7.277 0.000 . 1 . . . . . . . . . 5072 1 1262 . 1 1 138 138 TRP HZ2 H 1 7.482 0.000 . 1 . . . . . . . . . 5072 1 1263 . 1 1 138 138 TRP HH2 H 1 6.761 0.000 . 1 . . . . . . . . . 5072 1 1264 . 1 1 138 138 TRP C C 13 174.342 0.000 . 1 . . . . . . . . . 5072 1 1265 . 1 1 139 139 LEU N N 15 121.684 0.000 . 1 . . . . . . . . . 5072 1 1266 . 1 1 139 139 LEU H H 1 9.208 0.000 . 1 . . . . . . . . . 5072 1 1267 . 1 1 139 139 LEU CA C 13 53.827 0.000 . 1 . . . . . . . . . 5072 1 1268 . 1 1 139 139 LEU HA H 1 5.188 0.000 . 1 . . . . . . . . . 5072 1 1269 . 1 1 139 139 LEU CB C 13 44.804 0.000 . 1 . . . . . . . . . 5072 1 1270 . 1 1 139 139 LEU HB2 H 1 1.192 0.000 . 1 . . . . . . . . . 5072 1 1271 . 1 1 139 139 LEU HB3 H 1 1.192 0.000 . 1 . . . . . . . . . 5072 1 1272 . 1 1 139 139 LEU CG C 13 28.397 0.000 . 1 . . . . . . . . . 5072 1 1273 . 1 1 139 139 LEU HG H 1 1.244 0.000 . 1 . . . . . . . . . 5072 1 1274 . 1 1 139 139 LEU HD11 H 1 0.488 0.000 . 2 . . . . . . . . . 5072 1 1275 . 1 1 139 139 LEU HD12 H 1 0.488 0.000 . 2 . . . . . . . . . 5072 1 1276 . 1 1 139 139 LEU HD13 H 1 0.488 0.000 . 2 . . . . . . . . . 5072 1 1277 . 1 1 139 139 LEU HD21 H 1 0.508 0.000 . 2 . . . . . . . . . 5072 1 1278 . 1 1 139 139 LEU HD22 H 1 0.508 0.000 . 2 . . . . . . . . . 5072 1 1279 . 1 1 139 139 LEU HD23 H 1 0.508 0.000 . 2 . . . . . . . . . 5072 1 1280 . 1 1 139 139 LEU CD1 C 13 24.296 0.000 . 1 . . . . . . . . . 5072 1 1281 . 1 1 139 139 LEU CD2 C 13 25.390 0.000 . 1 . . . . . . . . . 5072 1 1282 . 1 1 139 139 LEU C C 13 175.123 0.000 . 1 . . . . . . . . . 5072 1 1283 . 1 1 140 140 LYS N N 15 119.646 0.000 . 1 . . . . . . . . . 5072 1 1284 . 1 1 140 140 LYS H H 1 8.685 0.000 . 1 . . . . . . . . . 5072 1 1285 . 1 1 140 140 LYS CA C 13 53.716 0.000 . 1 . . . . . . . . . 5072 1 1286 . 1 1 140 140 LYS HA H 1 4.824 0.000 . 1 . . . . . . . . . 5072 1 1287 . 1 1 140 140 LYS CB C 13 34.652 0.000 . 1 . . . . . . . . . 5072 1 1288 . 1 1 140 140 LYS HD2 H 1 1.592 0.000 . 1 . . . . . . . . . 5072 1 1289 . 1 1 140 140 LYS HD3 H 1 1.592 0.000 . 1 . . . . . . . . . 5072 1 1290 . 1 1 140 140 LYS HE2 H 1 3.031 0.000 . 1 . . . . . . . . . 5072 1 1291 . 1 1 140 140 LYS HE3 H 1 3.031 0.000 . 1 . . . . . . . . . 5072 1 1292 . 1 1 140 140 LYS C C 13 176.339 0.000 . 1 . . . . . . . . . 5072 1 1293 . 1 1 141 141 ASP N N 15 128.994 0.000 . 1 . . . . . . . . . 5072 1 1294 . 1 1 141 141 ASP H H 1 9.544 0.000 . 1 . . . . . . . . . 5072 1 1295 . 1 1 141 141 ASP CA C 13 54.374 0.000 . 1 . . . . . . . . . 5072 1 1296 . 1 1 141 141 ASP HA H 1 4.262 0.000 . 1 . . . . . . . . . 5072 1 1297 . 1 1 141 141 ASP CB C 13 37.988 0.000 . 1 . . . . . . . . . 5072 1 1298 . 1 1 141 141 ASP HB2 H 1 2.934 0.000 . 2 . . . . . . . . . 5072 1 1299 . 1 1 141 141 ASP HB3 H 1 2.765 0.000 . 2 . . . . . . . . . 5072 1 1300 . 1 1 141 141 ASP C C 13 176.054 0.000 . 1 . . . . . . . . . 5072 1 1301 . 1 1 142 142 GLY N N 15 103.052 0.000 . 1 . . . . . . . . . 5072 1 1302 . 1 1 142 142 GLY H H 1 9.008 0.000 . 1 . . . . . . . . . 5072 1 1303 . 1 1 142 142 GLY CA C 13 44.530 0.000 . 1 . . . . . . . . . 5072 1 1304 . 1 1 142 142 GLY HA2 H 1 4.210 0.000 . 2 . . . . . . . . . 5072 1 1305 . 1 1 142 142 GLY HA3 H 1 3.512 0.000 . 2 . . . . . . . . . 5072 1 1306 . 1 1 142 142 GLY C C 13 173.682 0.000 . 1 . . . . . . . . . 5072 1 1307 . 1 1 143 143 SER N N 15 116.268 0.000 . 1 . . . . . . . . . 5072 1 1308 . 1 1 143 143 SER H H 1 7.822 0.000 . 1 . . . . . . . . . 5072 1 1309 . 1 1 143 143 SER CA C 13 56.288 0.000 . 1 . . . . . . . . . 5072 1 1310 . 1 1 143 143 SER HA H 1 4.841 0.000 . 1 . . . . . . . . . 5072 1 1311 . 1 1 143 143 SER CB C 13 64.574 0.000 . 1 . . . . . . . . . 5072 1 1312 . 1 1 143 143 SER HB2 H 1 3.809 0.000 . 2 . . . . . . . . . 5072 1 1313 . 1 1 143 143 SER HB3 H 1 3.685 0.000 . 2 . . . . . . . . . 5072 1 1314 . 1 1 143 143 SER C C 13 172.886 0.000 . 1 . . . . . . . . . 5072 1 1315 . 1 1 144 144 ILE N N 15 125.323 0.000 . 1 . . . . . . . . . 5072 1 1316 . 1 1 144 144 ILE H H 1 8.760 0.000 . 1 . . . . . . . . . 5072 1 1317 . 1 1 144 144 ILE CA C 13 62.030 0.000 . 1 . . . . . . . . . 5072 1 1318 . 1 1 144 144 ILE HA H 1 4.243 0.000 . 1 . . . . . . . . . 5072 1 1319 . 1 1 144 144 ILE CB C 13 37.147 0.000 . 1 . . . . . . . . . 5072 1 1320 . 1 1 144 144 ILE HB H 1 1.772 0.000 . 1 . . . . . . . . . 5072 1 1321 . 1 1 144 144 ILE HG21 H 1 1.011 0.000 . 1 . . . . . . . . . 5072 1 1322 . 1 1 144 144 ILE HG22 H 1 1.011 0.000 . 1 . . . . . . . . . 5072 1 1323 . 1 1 144 144 ILE HG23 H 1 1.011 0.000 . 1 . . . . . . . . . 5072 1 1324 . 1 1 144 144 ILE CG2 C 13 16.879 0.000 . 1 . . . . . . . . . 5072 1 1325 . 1 1 144 144 ILE HG12 H 1 1.678 0.000 . 1 . . . . . . . . . 5072 1 1326 . 1 1 144 144 ILE HG13 H 1 1.678 0.000 . 1 . . . . . . . . . 5072 1 1327 . 1 1 144 144 ILE HD11 H 1 0.854 0.000 . 1 . . . . . . . . . 5072 1 1328 . 1 1 144 144 ILE HD12 H 1 0.854 0.000 . 1 . . . . . . . . . 5072 1 1329 . 1 1 144 144 ILE HD13 H 1 0.854 0.000 . 1 . . . . . . . . . 5072 1 1330 . 1 1 144 144 ILE CD1 C 13 12.504 0.000 . 1 . . . . . . . . . 5072 1 1331 . 1 1 144 144 ILE C C 13 176.940 0.000 . 1 . . . . . . . . . 5072 1 1332 . 1 1 145 145 ILE N N 15 122.583 0.000 . 1 . . . . . . . . . 5072 1 1333 . 1 1 145 145 ILE H H 1 8.898 0.000 . 1 . . . . . . . . . 5072 1 1334 . 1 1 145 145 ILE CA C 13 59.569 0.000 . 1 . . . . . . . . . 5072 1 1335 . 1 1 145 145 ILE HA H 1 4.629 0.000 . 1 . . . . . . . . . 5072 1 1336 . 1 1 145 145 ILE CB C 13 39.574 0.000 . 1 . . . . . . . . . 5072 1 1337 . 1 1 145 145 ILE HB H 1 1.918 0.000 . 1 . . . . . . . . . 5072 1 1338 . 1 1 145 145 ILE HG21 H 1 0.814 0.000 . 1 . . . . . . . . . 5072 1 1339 . 1 1 145 145 ILE HG22 H 1 0.814 0.000 . 1 . . . . . . . . . 5072 1 1340 . 1 1 145 145 ILE HG23 H 1 0.814 0.000 . 1 . . . . . . . . . 5072 1 1341 . 1 1 145 145 ILE CG2 C 13 17.446 0.000 . 1 . . . . . . . . . 5072 1 1342 . 1 1 145 145 ILE HG12 H 1 0.745 0.000 . 1 . . . . . . . . . 5072 1 1343 . 1 1 145 145 ILE HG13 H 1 0.745 0.000 . 1 . . . . . . . . . 5072 1 1344 . 1 1 145 145 ILE HD11 H 1 0.553 0.000 . 1 . . . . . . . . . 5072 1 1345 . 1 1 145 145 ILE HD12 H 1 0.553 0.000 . 1 . . . . . . . . . 5072 1 1346 . 1 1 145 145 ILE HD13 H 1 0.553 0.000 . 1 . . . . . . . . . 5072 1 1347 . 1 1 145 145 ILE CD1 C 13 13.324 0.000 . 1 . . . . . . . . . 5072 1 1348 . 1 1 145 145 ILE C C 13 174.808 0.000 . 1 . . . . . . . . . 5072 1 1349 . 1 1 146 146 SER N N 15 117.396 0.000 . 1 . . . . . . . . . 5072 1 1350 . 1 1 146 146 SER H H 1 7.615 0.000 . 1 . . . . . . . . . 5072 1 1351 . 1 1 146 146 SER CA C 13 55.002 0.000 . 1 . . . . . . . . . 5072 1 1352 . 1 1 146 146 SER HA H 1 4.911 0.000 . 1 . . . . . . . . . 5072 1 1353 . 1 1 146 146 SER CB C 13 62.451 0.000 . 1 . . . . . . . . . 5072 1 1354 . 1 1 146 146 SER HB2 H 1 4.231 0.000 . 1 . . . . . . . . . 5072 1 1355 . 1 1 146 146 SER HB3 H 1 4.231 0.000 . 1 . . . . . . . . . 5072 1 1356 . 1 1 146 146 SER C C 13 172.329 0.000 . 1 . . . . . . . . . 5072 1 1357 . 1 1 147 147 PRO CA C 13 62.030 0.000 . 1 . . . . . . . . . 5072 1 1358 . 1 1 147 147 PRO HA H 1 4.553 0.000 . 1 . . . . . . . . . 5072 1 1359 . 1 1 147 147 PRO CB C 13 30.987 0.000 . 1 . . . . . . . . . 5072 1 1360 . 1 1 147 147 PRO HB2 H 1 2.301 0.000 . 2 . . . . . . . . . 5072 1 1361 . 1 1 147 147 PRO HB3 H 1 1.987 0.000 . 2 . . . . . . . . . 5072 1 1362 . 1 1 147 147 PRO HG2 H 1 1.969 0.000 . 1 . . . . . . . . . 5072 1 1363 . 1 1 147 147 PRO HG3 H 1 1.969 0.000 . 1 . . . . . . . . . 5072 1 1364 . 1 1 147 147 PRO HD2 H 1 4.092 0.000 . 2 . . . . . . . . . 5072 1 1365 . 1 1 147 147 PRO HD3 H 1 3.861 0.000 . 2 . . . . . . . . . 5072 1 1366 . 1 1 147 147 PRO C C 13 177.270 0.000 . 1 . . . . . . . . . 5072 1 1367 . 1 1 148 148 LEU N N 15 122.458 0.000 . 1 . . . . . . . . . 5072 1 1368 . 1 1 148 148 LEU H H 1 8.612 0.000 . 1 . . . . . . . . . 5072 1 1369 . 1 1 148 148 LEU CA C 13 56.288 0.000 . 1 . . . . . . . . . 5072 1 1370 . 1 1 148 148 LEU HA H 1 4.151 0.000 . 1 . . . . . . . . . 5072 1 1371 . 1 1 148 148 LEU CB C 13 41.249 0.000 . 1 . . . . . . . . . 5072 1 1372 . 1 1 148 148 LEU HB2 H 1 1.678 0.000 . 2 . . . . . . . . . 5072 1 1373 . 1 1 148 148 LEU HB3 H 1 1.563 0.000 . 2 . . . . . . . . . 5072 1 1374 . 1 1 148 148 LEU CG C 13 26.210 0.000 . 1 . . . . . . . . . 5072 1 1375 . 1 1 148 148 LEU HG H 1 1.688 0.000 . 1 . . . . . . . . . 5072 1 1376 . 1 1 148 148 LEU HD11 H 1 0.942 0.000 . 2 . . . . . . . . . 5072 1 1377 . 1 1 148 148 LEU HD12 H 1 0.942 0.000 . 2 . . . . . . . . . 5072 1 1378 . 1 1 148 148 LEU HD13 H 1 0.942 0.000 . 2 . . . . . . . . . 5072 1 1379 . 1 1 148 148 LEU HD21 H 1 0.905 0.000 . 2 . . . . . . . . . 5072 1 1380 . 1 1 148 148 LEU HD22 H 1 0.905 0.000 . 2 . . . . . . . . . 5072 1 1381 . 1 1 148 148 LEU HD23 H 1 0.905 0.000 . 2 . . . . . . . . . 5072 1 1382 . 1 1 148 148 LEU CD1 C 13 23.749 0.000 . 1 . . . . . . . . . 5072 1 1383 . 1 1 148 148 LEU CD2 C 13 22.929 0.000 . 1 . . . . . . . . . 5072 1 1384 . 1 1 148 148 LEU C C 13 177.600 0.000 . 1 . . . . . . . . . 5072 1 1385 . 1 1 149 149 ASN N N 15 115.249 0.000 . 1 . . . . . . . . . 5072 1 1386 . 1 1 149 149 ASN H H 1 8.485 0.000 . 1 . . . . . . . . . 5072 1 1387 . 1 1 149 149 ASN CA C 13 52.460 0.000 . 1 . . . . . . . . . 5072 1 1388 . 1 1 149 149 ASN HA H 1 4.635 0.000 . 1 . . . . . . . . . 5072 1 1389 . 1 1 149 149 ASN CB C 13 36.876 0.000 . 1 . . . . . . . . . 5072 1 1390 . 1 1 149 149 ASN HB2 H 1 2.987 0.000 . 1 . . . . . . . . . 5072 1 1391 . 1 1 149 149 ASN HB3 H 1 2.987 0.000 . 1 . . . . . . . . . 5072 1 1392 . 1 1 149 149 ASN C C 13 174.177 0.000 . 1 . . . . . . . . . 5072 1 1393 . 1 1 150 150 ALA N N 15 122.901 0.000 . 1 . . . . . . . . . 5072 1 1394 . 1 1 150 150 ALA H H 1 7.813 0.000 . 1 . . . . . . . . . 5072 1 1395 . 1 1 150 150 ALA CA C 13 51.913 0.000 . 1 . . . . . . . . . 5072 1 1396 . 1 1 150 150 ALA HA H 1 4.648 0.000 . 1 . . . . . . . . . 5072 1 1397 . 1 1 150 150 ALA HB1 H 1 1.633 0.000 . 1 . . . . . . . . . 5072 1 1398 . 1 1 150 150 ALA HB2 H 1 1.633 0.000 . 1 . . . . . . . . . 5072 1 1399 . 1 1 150 150 ALA HB3 H 1 1.633 0.000 . 1 . . . . . . . . . 5072 1 1400 . 1 1 150 150 ALA CB C 13 19.100 0.000 . 1 . . . . . . . . . 5072 1 1401 . 1 1 150 150 ALA C C 13 177.603 0.000 . 1 . . . . . . . . . 5072 1 1402 . 1 1 151 151 THR N N 15 112.137 0.000 . 1 . . . . . . . . . 5072 1 1403 . 1 1 151 151 THR H H 1 8.562 0.000 . 1 . . . . . . . . . 5072 1 1404 . 1 1 151 151 THR CA C 13 60.663 0.000 . 1 . . . . . . . . . 5072 1 1405 . 1 1 151 151 THR HA H 1 4.750 0.000 . 1 . . . . . . . . . 5072 1 1406 . 1 1 151 151 THR CB C 13 69.413 0.000 . 1 . . . . . . . . . 5072 1 1407 . 1 1 151 151 THR HB H 1 4.485 0.000 . 1 . . . . . . . . . 5072 1 1408 . 1 1 151 151 THR HG21 H 1 1.244 0.000 . 1 . . . . . . . . . 5072 1 1409 . 1 1 151 151 THR HG22 H 1 1.244 0.000 . 1 . . . . . . . . . 5072 1 1410 . 1 1 151 151 THR HG23 H 1 1.244 0.000 . 1 . . . . . . . . . 5072 1 1411 . 1 1 151 151 THR C C 13 174.488 0.000 . 1 . . . . . . . . . 5072 1 1412 . 1 1 152 152 LYS H H 1 8.069 0.000 . 1 . . . . . . . . . 5072 1 1413 . 1 1 152 152 LYS CA C 13 55.581 0.000 . 1 . . . . . . . . . 5072 1 1414 . 1 1 152 152 LYS HA H 1 4.628 0.000 . 1 . . . . . . . . . 5072 1 1415 . 1 1 152 152 LYS CB C 13 32.560 0.000 . 1 . . . . . . . . . 5072 1 1416 . 1 1 152 152 LYS HB2 H 1 2.136 0.000 . 1 . . . . . . . . . 5072 1 1417 . 1 1 152 152 LYS HB3 H 1 2.136 0.000 . 1 . . . . . . . . . 5072 1 1418 . 1 1 152 152 LYS HG2 H 1 1.751 0.000 . 2 . . . . . . . . . 5072 1 1419 . 1 1 152 152 LYS HG3 H 1 1.648 0.000 . 2 . . . . . . . . . 5072 1 1420 . 1 1 152 152 LYS HE2 H 1 3.035 0.000 . 1 . . . . . . . . . 5072 1 1421 . 1 1 152 152 LYS HE3 H 1 3.035 0.000 . 1 . . . . . . . . . 5072 1 1422 . 1 1 152 152 LYS C C 13 176.514 0.000 . 1 . . . . . . . . . 5072 1 1423 . 1 1 153 153 ASN N N 15 119.365 0.000 . 1 . . . . . . . . . 5072 1 1424 . 1 1 153 153 ASN H H 1 8.817 0.000 . 1 . . . . . . . . . 5072 1 1425 . 1 1 153 153 ASN CA C 13 52.733 0.000 . 1 . . . . . . . . . 5072 1 1426 . 1 1 153 153 ASN HA H 1 4.854 0.000 . 1 . . . . . . . . . 5072 1 1427 . 1 1 153 153 ASN CB C 13 37.147 0.000 . 1 . . . . . . . . . 5072 1 1428 . 1 1 153 153 ASN HB2 H 1 3.284 0.000 . 2 . . . . . . . . . 5072 1 1429 . 1 1 153 153 ASN HB3 H 1 3.009 0.000 . 2 . . . . . . . . . 5072 1 1430 . 1 1 153 153 ASN ND2 N 15 111.208 0.000 . 1 . . . . . . . . . 5072 1 1431 . 1 1 153 153 ASN HD21 H 1 7.703 0.000 . 2 . . . . . . . . . 5072 1 1432 . 1 1 153 153 ASN HD22 H 1 6.934 0.000 . 2 . . . . . . . . . 5072 1 1433 . 1 1 153 153 ASN C C 13 174.709 0.000 . 1 . . . . . . . . . 5072 1 1434 . 1 1 154 154 THR N N 15 110.083 0.000 . 1 . . . . . . . . . 5072 1 1435 . 1 1 154 154 THR H H 1 7.652 0.000 . 1 . . . . . . . . . 5072 1 1436 . 1 1 154 154 THR CA C 13 59.022 0.000 . 1 . . . . . . . . . 5072 1 1437 . 1 1 154 154 THR HA H 1 5.632 0.000 . 1 . . . . . . . . . 5072 1 1438 . 1 1 154 154 THR CB C 13 72.147 0.000 . 1 . . . . . . . . . 5072 1 1439 . 1 1 154 154 THR HB H 1 4.085 0.000 . 1 . . . . . . . . . 5072 1 1440 . 1 1 154 154 THR HG21 H 1 1.271 0.000 . 1 . . . . . . . . . 5072 1 1441 . 1 1 154 154 THR HG22 H 1 1.271 0.000 . 1 . . . . . . . . . 5072 1 1442 . 1 1 154 154 THR HG23 H 1 1.271 0.000 . 1 . . . . . . . . . 5072 1 1443 . 1 1 154 154 THR CG2 C 13 21.015 0.000 . 1 . . . . . . . . . 5072 1 1444 . 1 1 154 154 THR C C 13 172.919 0.000 . 1 . . . . . . . . . 5072 1 1445 . 1 1 155 155 TRP N N 15 121.479 0.000 . 1 . . . . . . . . . 5072 1 1446 . 1 1 155 155 TRP H H 1 8.497 0.000 . 1 . . . . . . . . . 5072 1 1447 . 1 1 155 155 TRP CA C 13 55.146 0.000 . 1 . . . . . . . . . 5072 1 1448 . 1 1 155 155 TRP HA H 1 4.367 0.000 . 1 . . . . . . . . . 5072 1 1449 . 1 1 155 155 TRP CB C 13 29.289 0.000 . 1 . . . . . . . . . 5072 1 1450 . 1 1 155 155 TRP HB2 H 1 0.875 0.000 . 2 . . . . . . . . . 5072 1 1451 . 1 1 155 155 TRP HB3 H 1 1.392 0.000 . 2 . . . . . . . . . 5072 1 1452 . 1 1 155 155 TRP NE1 N 15 127.605 0.000 . 1 . . . . . . . . . 5072 1 1453 . 1 1 155 155 TRP HD1 H 1 6.149 0.000 . 1 . . . . . . . . . 5072 1 1454 . 1 1 155 155 TRP HE3 H 1 7.268 0.000 . 1 . . . . . . . . . 5072 1 1455 . 1 1 155 155 TRP HE1 H 1 9.875 0.000 . 1 . . . . . . . . . 5072 1 1456 . 1 1 155 155 TRP HZ3 H 1 7.058 0.000 . 1 . . . . . . . . . 5072 1 1457 . 1 1 155 155 TRP HZ2 H 1 7.399 0.000 . 1 . . . . . . . . . 5072 1 1458 . 1 1 155 155 TRP HH2 H 1 7.213 0.000 . 1 . . . . . . . . . 5072 1 1459 . 1 1 155 155 TRP C C 13 173.292 0.000 . 1 . . . . . . . . . 5072 1 1460 . 1 1 156 156 ASN N N 15 125.674 0.000 . 1 . . . . . . . . . 5072 1 1461 . 1 1 156 156 ASN H H 1 7.390 0.000 . 1 . . . . . . . . . 5072 1 1462 . 1 1 156 156 ASN CA C 13 51.640 0.000 . 1 . . . . . . . . . 5072 1 1463 . 1 1 156 156 ASN HA H 1 4.578 0.000 . 1 . . . . . . . . . 5072 1 1464 . 1 1 156 156 ASN CB C 13 37.624 0.000 . 1 . . . . . . . . . 5072 1 1465 . 1 1 156 156 ASN HB2 H 1 2.499 0.000 . 2 . . . . . . . . . 5072 1 1466 . 1 1 156 156 ASN HB3 H 1 2.181 0.000 . 2 . . . . . . . . . 5072 1 1467 . 1 1 156 156 ASN ND2 N 15 109.943 0.000 . 1 . . . . . . . . . 5072 1 1468 . 1 1 156 156 ASN HD21 H 1 7.200 0.000 . 2 . . . . . . . . . 5072 1 1469 . 1 1 156 156 ASN HD22 H 1 6.532 0.000 . 2 . . . . . . . . . 5072 1 1470 . 1 1 156 156 ASN C C 13 174.162 0.000 . 1 . . . . . . . . . 5072 1 1471 . 1 1 157 157 LEU N N 15 124.863 0.000 . 1 . . . . . . . . . 5072 1 1472 . 1 1 157 157 LEU H H 1 8.730 0.000 . 1 . . . . . . . . . 5072 1 1473 . 1 1 157 157 LEU CA C 13 54.100 0.000 . 1 . . . . . . . . . 5072 1 1474 . 1 1 157 157 LEU HA H 1 3.996 0.000 . 1 . . . . . . . . . 5072 1 1475 . 1 1 157 157 LEU CB C 13 41.249 0.000 . 1 . . . . . . . . . 5072 1 1476 . 1 1 157 157 LEU HB2 H 1 1.483 0.000 . 2 . . . . . . . . . 5072 1 1477 . 1 1 157 157 LEU HB3 H 1 1.309 0.000 . 2 . . . . . . . . . 5072 1 1478 . 1 1 157 157 LEU CG C 13 25.936 0.000 . 1 . . . . . . . . . 5072 1 1479 . 1 1 157 157 LEU HG H 1 1.231 0.000 . 1 . . . . . . . . . 5072 1 1480 . 1 1 157 157 LEU HD11 H 1 0.429 0.000 . 2 . . . . . . . . . 5072 1 1481 . 1 1 157 157 LEU HD12 H 1 0.429 0.000 . 2 . . . . . . . . . 5072 1 1482 . 1 1 157 157 LEU HD13 H 1 0.429 0.000 . 2 . . . . . . . . . 5072 1 1483 . 1 1 157 157 LEU HD21 H 1 0.311 0.000 . 2 . . . . . . . . . 5072 1 1484 . 1 1 157 157 LEU HD22 H 1 0.311 0.000 . 2 . . . . . . . . . 5072 1 1485 . 1 1 157 157 LEU HD23 H 1 0.311 0.000 . 2 . . . . . . . . . 5072 1 1486 . 1 1 157 157 LEU CD1 C 13 24.296 0.000 . 1 . . . . . . . . . 5072 1 1487 . 1 1 157 157 LEU CD2 C 13 21.835 0.000 . 1 . . . . . . . . . 5072 1 1488 . 1 1 157 157 LEU C C 13 177.456 0.000 . 1 . . . . . . . . . 5072 1 1489 . 1 1 158 158 GLY N N 15 108.396 0.000 . 1 . . . . . . . . . 5072 1 1490 . 1 1 158 158 GLY H H 1 8.509 0.000 . 1 . . . . . . . . . 5072 1 1491 . 1 1 158 158 GLY CA C 13 43.436 0.000 . 1 . . . . . . . . . 5072 1 1492 . 1 1 158 158 GLY HA2 H 1 3.589 0.000 . 2 . . . . . . . . . 5072 1 1493 . 1 1 158 158 GLY HA3 H 1 3.997 0.000 . 2 . . . . . . . . . 5072 1 1494 . 1 1 158 158 GLY C C 13 173.036 0.000 . 1 . . . . . . . . . 5072 1 1495 . 1 1 159 159 ASN N N 15 117.958 0.000 . 1 . . . . . . . . . 5072 1 1496 . 1 1 159 159 ASN H H 1 8.370 0.000 . 1 . . . . . . . . . 5072 1 1497 . 1 1 159 159 ASN CA C 13 53.494 0.000 . 1 . . . . . . . . . 5072 1 1498 . 1 1 159 159 ASN HA H 1 4.390 0.000 . 1 . . . . . . . . . 5072 1 1499 . 1 1 159 159 ASN CB C 13 38.789 0.000 . 1 . . . . . . . . . 5072 1 1500 . 1 1 159 159 ASN HB2 H 1 2.484 0.000 . 2 . . . . . . . . . 5072 1 1501 . 1 1 159 159 ASN HB3 H 1 2.720 0.000 . 2 . . . . . . . . . 5072 1 1502 . 1 1 159 159 ASN C C 13 176.795 0.000 . 1 . . . . . . . . . 5072 1 1503 . 1 1 160 160 ASN N N 15 122.492 0.000 . 1 . . . . . . . . . 5072 1 1504 . 1 1 160 160 ASN H H 1 8.695 0.000 . 1 . . . . . . . . . 5072 1 1505 . 1 1 160 160 ASN CA C 13 54.921 0.000 . 1 . . . . . . . . . 5072 1 1506 . 1 1 160 160 ASN HA H 1 3.929 0.000 . 1 . . . . . . . . . 5072 1 1507 . 1 1 160 160 ASN CB C 13 37.694 0.000 . 1 . . . . . . . . . 5072 1 1508 . 1 1 160 160 ASN HB2 H 1 2.804 0.000 . 2 . . . . . . . . . 5072 1 1509 . 1 1 160 160 ASN HB3 H 1 2.677 0.000 . 2 . . . . . . . . . 5072 1 1510 . 1 1 160 160 ASN ND2 N 15 112.609 0.000 . 1 . . . . . . . . . 5072 1 1511 . 1 1 160 160 ASN HD21 H 1 7.631 0.000 . 2 . . . . . . . . . 5072 1 1512 . 1 1 160 160 ASN HD22 H 1 7.051 0.000 . 2 . . . . . . . . . 5072 1 1513 . 1 1 160 160 ASN C C 13 174.778 0.000 . 1 . . . . . . . . . 5072 1 1514 . 1 1 161 161 ALA N N 15 120.716 0.000 . 1 . . . . . . . . . 5072 1 1515 . 1 1 161 161 ALA H H 1 8.058 0.000 . 1 . . . . . . . . . 5072 1 1516 . 1 1 161 161 ALA CA C 13 52.733 0.000 . 1 . . . . . . . . . 5072 1 1517 . 1 1 161 161 ALA HA H 1 4.090 0.000 . 1 . . . . . . . . . 5072 1 1518 . 1 1 161 161 ALA HB1 H 1 1.346 0.000 . 1 . . . . . . . . . 5072 1 1519 . 1 1 161 161 ALA HB2 H 1 1.346 0.000 . 1 . . . . . . . . . 5072 1 1520 . 1 1 161 161 ALA HB3 H 1 1.346 0.000 . 1 . . . . . . . . . 5072 1 1521 . 1 1 161 161 ALA CB C 13 17.460 0.000 . 1 . . . . . . . . . 5072 1 1522 . 1 1 161 161 ALA C C 13 177.890 0.000 . 1 . . . . . . . . . 5072 1 1523 . 1 1 162 162 LYS N N 15 115.990 0.000 . 1 . . . . . . . . . 5072 1 1524 . 1 1 162 162 LYS H H 1 7.527 0.000 . 1 . . . . . . . . . 5072 1 1525 . 1 1 162 162 LYS CA C 13 54.896 0.000 . 1 . . . . . . . . . 5072 1 1526 . 1 1 162 162 LYS HA H 1 4.252 0.000 . 1 . . . . . . . . . 5072 1 1527 . 1 1 162 162 LYS CB C 13 30.582 0.000 . 1 . . . . . . . . . 5072 1 1528 . 1 1 162 162 LYS HB2 H 1 1.967 0.000 . 2 . . . . . . . . . 5072 1 1529 . 1 1 162 162 LYS HB3 H 1 1.688 0.000 . 2 . . . . . . . . . 5072 1 1530 . 1 1 162 162 LYS HG2 H 1 1.466 0.000 . 2 . . . . . . . . . 5072 1 1531 . 1 1 162 162 LYS HG3 H 1 1.351 0.000 . 2 . . . . . . . . . 5072 1 1532 . 1 1 162 162 LYS HD2 H 1 1.708 0.000 . 1 . . . . . . . . . 5072 1 1533 . 1 1 162 162 LYS HD3 H 1 1.708 0.000 . 1 . . . . . . . . . 5072 1 1534 . 1 1 162 162 LYS HE2 H 1 2.984 0.000 . 1 . . . . . . . . . 5072 1 1535 . 1 1 162 162 LYS HE3 H 1 2.984 0.000 . 1 . . . . . . . . . 5072 1 1536 . 1 1 162 162 LYS C C 13 175.360 0.000 . 1 . . . . . . . . . 5072 1 1537 . 1 1 163 163 ASP N N 15 117.396 0.000 . 1 . . . . . . . . . 5072 1 1538 . 1 1 163 163 ASP H H 1 8.092 0.000 . 1 . . . . . . . . . 5072 1 1539 . 1 1 163 163 ASP CA C 13 52.576 0.000 . 1 . . . . . . . . . 5072 1 1540 . 1 1 163 163 ASP HA H 1 4.547 0.000 . 1 . . . . . . . . . 5072 1 1541 . 1 1 163 163 ASP CB C 13 37.741 0.000 . 1 . . . . . . . . . 5072 1 1542 . 1 1 163 163 ASP HB2 H 1 2.844 0.000 . 1 . . . . . . . . . 5072 1 1543 . 1 1 163 163 ASP HB3 H 1 2.844 0.000 . 1 . . . . . . . . . 5072 1 1544 . 1 1 164 164 PRO CA C 13 63.315 0.000 . 1 . . . . . . . . . 5072 1 1545 . 1 1 164 164 PRO HA H 1 4.448 0.000 . 1 . . . . . . . . . 5072 1 1546 . 1 1 164 164 PRO CB C 13 30.575 0.000 . 1 . . . . . . . . . 5072 1 1547 . 1 1 164 164 PRO HB2 H 1 2.044 0.000 . 1 . . . . . . . . . 5072 1 1548 . 1 1 164 164 PRO HB3 H 1 2.044 0.000 . 1 . . . . . . . . . 5072 1 1549 . 1 1 164 164 PRO HG2 H 1 1.828 0.000 . 1 . . . . . . . . . 5072 1 1550 . 1 1 164 164 PRO HG3 H 1 1.828 0.000 . 1 . . . . . . . . . 5072 1 1551 . 1 1 164 164 PRO HD2 H 1 3.438 0.000 . 1 . . . . . . . . . 5072 1 1552 . 1 1 164 164 PRO HD3 H 1 3.438 0.000 . 1 . . . . . . . . . 5072 1 1553 . 1 1 164 164 PRO C C 13 176.024 0.000 . 1 . . . . . . . . . 5072 1 1554 . 1 1 165 165 ARG N N 15 119.083 0.000 . 1 . . . . . . . . . 5072 1 1555 . 1 1 165 165 ARG H H 1 8.004 0.000 . 1 . . . . . . . . . 5072 1 1556 . 1 1 165 165 ARG CA C 13 54.009 0.000 . 1 . . . . . . . . . 5072 1 1557 . 1 1 165 165 ARG HA H 1 5.100 0.000 . 1 . . . . . . . . . 5072 1 1558 . 1 1 165 165 ARG CB C 13 32.317 0.000 . 1 . . . . . . . . . 5072 1 1559 . 1 1 165 165 ARG HB2 H 1 2.005 0.000 . 2 . . . . . . . . . 5072 1 1560 . 1 1 165 165 ARG HB3 H 1 1.863 0.000 . 2 . . . . . . . . . 5072 1 1561 . 1 1 165 165 ARG HG2 H 1 1.689 0.000 . 1 . . . . . . . . . 5072 1 1562 . 1 1 165 165 ARG HG3 H 1 1.689 0.000 . 1 . . . . . . . . . 5072 1 1563 . 1 1 165 165 ARG HD2 H 1 3.115 0.000 . 1 . . . . . . . . . 5072 1 1564 . 1 1 165 165 ARG HD3 H 1 3.115 0.000 . 1 . . . . . . . . . 5072 1 1565 . 1 1 165 165 ARG C C 13 176.234 0.000 . 1 . . . . . . . . . 5072 1 1566 . 1 1 166 166 GLY N N 15 109.521 0.000 . 1 . . . . . . . . . 5072 1 1567 . 1 1 166 166 GLY H H 1 8.099 0.000 . 1 . . . . . . . . . 5072 1 1568 . 1 1 166 166 GLY CA C 13 44.257 0.000 . 1 . . . . . . . . . 5072 1 1569 . 1 1 166 166 GLY HA2 H 1 4.228 0.000 . 1 . . . . . . . . . 5072 1 1570 . 1 1 166 166 GLY HA3 H 1 4.228 0.000 . 1 . . . . . . . . . 5072 1 1571 . 1 1 166 166 GLY C C 13 171.504 0.000 . 1 . . . . . . . . . 5072 1 1572 . 1 1 167 167 THR N N 15 115.581 0.000 . 1 . . . . . . . . . 5072 1 1573 . 1 1 167 167 THR H H 1 8.317 0.000 . 1 . . . . . . . . . 5072 1 1574 . 1 1 167 167 THR CA C 13 61.210 0.000 . 1 . . . . . . . . . 5072 1 1575 . 1 1 167 167 THR HA H 1 5.270 0.000 . 1 . . . . . . . . . 5072 1 1576 . 1 1 167 167 THR CB C 13 68.593 0.000 . 1 . . . . . . . . . 5072 1 1577 . 1 1 167 167 THR HB H 1 4.064 0.000 . 1 . . . . . . . . . 5072 1 1578 . 1 1 167 167 THR HG21 H 1 1.192 0.000 . 1 . . . . . . . . . 5072 1 1579 . 1 1 167 167 THR HG22 H 1 1.192 0.000 . 1 . . . . . . . . . 5072 1 1580 . 1 1 167 167 THR HG23 H 1 1.192 0.000 . 1 . . . . . . . . . 5072 1 1581 . 1 1 167 167 THR CG2 C 13 21.835 0.000 . 1 . . . . . . . . . 5072 1 1582 . 1 1 167 167 THR C C 13 173.652 0.000 . 1 . . . . . . . . . 5072 1 1583 . 1 1 168 168 TYR N N 15 125.688 0.000 . 1 . . . . . . . . . 5072 1 1584 . 1 1 168 168 TYR H H 1 9.504 0.000 . 1 . . . . . . . . . 5072 1 1585 . 1 1 168 168 TYR CA C 13 56.646 0.000 . 1 . . . . . . . . . 5072 1 1586 . 1 1 168 168 TYR HA H 1 5.659 0.000 . 1 . . . . . . . . . 5072 1 1587 . 1 1 168 168 TYR CB C 13 42.248 0.000 . 1 . . . . . . . . . 5072 1 1588 . 1 1 168 168 TYR HB2 H 1 3.086 0.000 . 2 . . . . . . . . . 5072 1 1589 . 1 1 168 168 TYR HB3 H 1 2.868 0.000 . 2 . . . . . . . . . 5072 1 1590 . 1 1 168 168 TYR HD1 H 1 7.073 0.000 . 1 . . . . . . . . . 5072 1 1591 . 1 1 168 168 TYR HD2 H 1 7.073 0.000 . 1 . . . . . . . . . 5072 1 1592 . 1 1 168 168 TYR HE1 H 1 6.483 0.000 . 1 . . . . . . . . . 5072 1 1593 . 1 1 168 168 TYR HE2 H 1 6.483 0.000 . 1 . . . . . . . . . 5072 1 1594 . 1 1 168 168 TYR C C 13 175.649 0.000 . 1 . . . . . . . . . 5072 1 1595 . 1 1 169 169 GLN N N 15 116.271 0.000 . 1 . . . . . . . . . 5072 1 1596 . 1 1 169 169 GLN H H 1 8.935 0.000 . 1 . . . . . . . . . 5072 1 1597 . 1 1 169 169 GLN CA C 13 53.654 0.000 . 1 . . . . . . . . . 5072 1 1598 . 1 1 169 169 GLN HA H 1 4.475 0.000 . 1 . . . . . . . . . 5072 1 1599 . 1 1 169 169 GLN CB C 13 34.920 0.000 . 1 . . . . . . . . . 5072 1 1600 . 1 1 169 169 GLN HB2 H 1 1.945 0.000 . 2 . . . . . . . . . 5072 1 1601 . 1 1 169 169 GLN HB3 H 1 1.658 0.000 . 2 . . . . . . . . . 5072 1 1602 . 1 1 169 169 GLN HG2 H 1 1.945 0.000 . 1 . . . . . . . . . 5072 1 1603 . 1 1 169 169 GLN HG3 H 1 1.945 0.000 . 1 . . . . . . . . . 5072 1 1604 . 1 1 169 169 GLN NE2 N 15 109.521 0.000 . 1 . . . . . . . . . 5072 1 1605 . 1 1 169 169 GLN HE21 H 1 7.307 0.000 . 2 . . . . . . . . . 5072 1 1606 . 1 1 169 169 GLN HE22 H 1 6.486 0.000 . 2 . . . . . . . . . 5072 1 1607 . 1 1 169 169 GLN C C 13 173.201 0.000 . 1 . . . . . . . . . 5072 1 1608 . 1 1 170 170 CYS N N 15 113.740 0.000 . 1 . . . . . . . . . 5072 1 1609 . 1 1 170 170 CYS H H 1 8.451 0.000 . 1 . . . . . . . . . 5072 1 1610 . 1 1 170 170 CYS CA C 13 52.496 0.000 . 1 . . . . . . . . . 5072 1 1611 . 1 1 170 170 CYS HA H 1 5.234 0.000 . 1 . . . . . . . . . 5072 1 1612 . 1 1 170 170 CYS CB C 13 47.996 0.000 . 1 . . . . . . . . . 5072 1 1613 . 1 1 170 170 CYS HB2 H 1 1.916 0.000 . 1 . . . . . . . . . 5072 1 1614 . 1 1 170 170 CYS HB3 H 1 1.916 0.000 . 1 . . . . . . . . . 5072 1 1615 . 1 1 170 170 CYS C C 13 171.775 0.000 . 1 . . . . . . . . . 5072 1 1616 . 1 1 171 171 GLN N N 15 121.147 0.000 . 1 . . . . . . . . . 5072 1 1617 . 1 1 171 171 GLN H H 1 8.836 0.000 . 1 . . . . . . . . . 5072 1 1618 . 1 1 171 171 GLN CA C 13 54.474 0.000 . 1 . . . . . . . . . 5072 1 1619 . 1 1 171 171 GLN HA H 1 4.870 0.000 . 1 . . . . . . . . . 5072 1 1620 . 1 1 171 171 GLN CB C 13 33.073 0.000 . 1 . . . . . . . . . 5072 1 1621 . 1 1 171 171 GLN C C 13 173.952 0.000 . 1 . . . . . . . . . 5072 1 1622 . 1 1 172 172 GLY N N 15 115.107 0.000 . 1 . . . . . . . . . 5072 1 1623 . 1 1 172 172 GLY H H 1 8.453 0.000 . 1 . . . . . . . . . 5072 1 1624 . 1 1 172 172 GLY CA C 13 42.343 0.000 . 1 . . . . . . . . . 5072 1 1625 . 1 1 172 172 GLY HA2 H 1 4.768 0.000 . 2 . . . . . . . . . 5072 1 1626 . 1 1 172 172 GLY HA3 H 1 3.678 0.000 . 2 . . . . . . . . . 5072 1 1627 . 1 1 172 172 GLY C C 13 173.006 0.000 . 1 . . . . . . . . . 5072 1 1628 . 1 1 173 173 ALA N N 15 124.732 0.000 . 1 . . . . . . . . . 5072 1 1629 . 1 1 173 173 ALA H H 1 8.784 0.000 . 1 . . . . . . . . . 5072 1 1630 . 1 1 173 173 ALA CA C 13 54.100 0.000 . 1 . . . . . . . . . 5072 1 1631 . 1 1 173 173 ALA HA H 1 4.035 0.000 . 1 . . . . . . . . . 5072 1 1632 . 1 1 173 173 ALA HB1 H 1 1.444 0.000 . 1 . . . . . . . . . 5072 1 1633 . 1 1 173 173 ALA HB2 H 1 1.444 0.000 . 1 . . . . . . . . . 5072 1 1634 . 1 1 173 173 ALA HB3 H 1 1.444 0.000 . 1 . . . . . . . . . 5072 1 1635 . 1 1 173 173 ALA CB C 13 18.007 0.000 . 1 . . . . . . . . . 5072 1 1636 . 1 1 173 173 ALA C C 13 178.892 0.000 . 1 . . . . . . . . . 5072 1 1637 . 1 1 174 174 LYS N N 15 113.027 0.000 . 1 . . . . . . . . . 5072 1 1638 . 1 1 174 174 LYS H H 1 8.838 0.000 . 1 . . . . . . . . . 5072 1 1639 . 1 1 174 174 LYS CA C 13 55.194 0.000 . 1 . . . . . . . . . 5072 1 1640 . 1 1 174 174 LYS HA H 1 4.483 0.000 . 1 . . . . . . . . . 5072 1 1641 . 1 1 174 174 LYS CB C 13 34.413 0.000 . 1 . . . . . . . . . 5072 1 1642 . 1 1 174 174 LYS HB2 H 1 1.862 0.000 . 2 . . . . . . . . . 5072 1 1643 . 1 1 174 174 LYS HB3 H 1 1.733 0.000 . 2 . . . . . . . . . 5072 1 1644 . 1 1 174 174 LYS CG C 13 23.749 0.000 . 1 . . . . . . . . . 5072 1 1645 . 1 1 174 174 LYS HG2 H 1 1.332 0.000 . 1 . . . . . . . . . 5072 1 1646 . 1 1 174 174 LYS HG3 H 1 1.332 0.000 . 1 . . . . . . . . . 5072 1 1647 . 1 1 174 174 LYS CD C 13 28.124 0.000 . 1 . . . . . . . . . 5072 1 1648 . 1 1 174 174 LYS HD2 H 1 1.650 0.000 . 1 . . . . . . . . . 5072 1 1649 . 1 1 174 174 LYS HD3 H 1 1.650 0.000 . 1 . . . . . . . . . 5072 1 1650 . 1 1 174 174 LYS HE2 H 1 2.946 0.000 . 1 . . . . . . . . . 5072 1 1651 . 1 1 174 174 LYS HE3 H 1 2.946 0.000 . 1 . . . . . . . . . 5072 1 1652 . 1 1 174 174 LYS C C 13 175.709 0.000 . 1 . . . . . . . . . 5072 1 1653 . 1 1 175 175 GLU N N 15 118.802 0.000 . 1 . . . . . . . . . 5072 1 1654 . 1 1 175 175 GLU H H 1 7.696 0.000 . 1 . . . . . . . . . 5072 1 1655 . 1 1 175 175 GLU CA C 13 54.647 0.000 . 1 . . . . . . . . . 5072 1 1656 . 1 1 175 175 GLU HA H 1 4.595 0.000 . 1 . . . . . . . . . 5072 1 1657 . 1 1 175 175 GLU CB C 13 32.225 0.000 . 1 . . . . . . . . . 5072 1 1658 . 1 1 175 175 GLU HB2 H 1 1.901 0.000 . 1 . . . . . . . . . 5072 1 1659 . 1 1 175 175 GLU HB3 H 1 1.901 0.000 . 1 . . . . . . . . . 5072 1 1660 . 1 1 175 175 GLU CG C 13 35.233 0.000 . 1 . . . . . . . . . 5072 1 1661 . 1 1 175 175 GLU HG2 H 1 2.135 0.000 . 1 . . . . . . . . . 5072 1 1662 . 1 1 175 175 GLU HG3 H 1 2.135 0.000 . 1 . . . . . . . . . 5072 1 1663 . 1 1 175 175 GLU C C 13 173.682 0.000 . 1 . . . . . . . . . 5072 1 1664 . 1 1 176 176 THR N N 15 117.123 0.000 . 1 . . . . . . . . . 5072 1 1665 . 1 1 176 176 THR H H 1 8.581 0.000 . 1 . . . . . . . . . 5072 1 1666 . 1 1 176 176 THR CA C 13 60.936 0.000 . 1 . . . . . . . . . 5072 1 1667 . 1 1 176 176 THR HA H 1 4.653 0.000 . 1 . . . . . . . . . 5072 1 1668 . 1 1 176 176 THR CB C 13 69.686 0.000 . 1 . . . . . . . . . 5072 1 1669 . 1 1 176 176 THR HB H 1 3.828 0.000 . 1 . . . . . . . . . 5072 1 1670 . 1 1 176 176 THR HG21 H 1 1.242 0.000 . 1 . . . . . . . . . 5072 1 1671 . 1 1 176 176 THR HG22 H 1 1.242 0.000 . 1 . . . . . . . . . 5072 1 1672 . 1 1 176 176 THR HG23 H 1 1.242 0.000 . 1 . . . . . . . . . 5072 1 1673 . 1 1 176 176 THR CG2 C 13 20.468 0.000 . 1 . . . . . . . . . 5072 1 1674 . 1 1 176 176 THR C C 13 174.312 0.000 . 1 . . . . . . . . . 5072 1 1675 . 1 1 177 177 SER N N 15 121.615 0.000 . 1 . . . . . . . . . 5072 1 1676 . 1 1 177 177 SER H H 1 9.382 0.000 . 1 . . . . . . . . . 5072 1 1677 . 1 1 177 177 SER CA C 13 58.578 0.000 . 1 . . . . . . . . . 5072 1 1678 . 1 1 177 177 SER HA H 1 5.206 0.000 . 1 . . . . . . . . . 5072 1 1679 . 1 1 177 177 SER CB C 13 65.334 0.000 . 1 . . . . . . . . . 5072 1 1680 . 1 1 177 177 SER HB2 H 1 4.349 0.000 . 1 . . . . . . . . . 5072 1 1681 . 1 1 177 177 SER HB3 H 1 4.349 0.000 . 1 . . . . . . . . . 5072 1 1682 . 1 1 177 177 SER C C 13 173.544 0.000 . 1 . . . . . . . . . 5072 1 1683 . 1 1 179 179 PRO CA C 13 61.683 0.000 . 1 . . . . . . . . . 5072 1 1684 . 1 1 179 179 PRO HA H 1 4.993 0.000 . 1 . . . . . . . . . 5072 1 1685 . 1 1 179 179 PRO CB C 13 30.493 0.000 . 1 . . . . . . . . . 5072 1 1686 . 1 1 179 179 PRO HB2 H 1 2.049 0.000 . 1 . . . . . . . . . 5072 1 1687 . 1 1 179 179 PRO HB3 H 1 2.049 0.000 . 1 . . . . . . . . . 5072 1 1688 . 1 1 179 179 PRO HG2 H 1 1.952 0.000 . 1 . . . . . . . . . 5072 1 1689 . 1 1 179 179 PRO HG3 H 1 1.952 0.000 . 1 . . . . . . . . . 5072 1 1690 . 1 1 179 179 PRO C C 13 175.724 0.000 . 1 . . . . . . . . . 5072 1 1691 . 1 1 180 180 LEU N N 15 125.834 0.000 . 1 . . . . . . . . . 5072 1 1692 . 1 1 180 180 LEU H H 1 9.455 0.000 . 1 . . . . . . . . . 5072 1 1693 . 1 1 180 180 LEU CA C 13 52.733 0.000 . 1 . . . . . . . . . 5072 1 1694 . 1 1 180 180 LEU HA H 1 5.355 0.000 . 1 . . . . . . . . . 5072 1 1695 . 1 1 180 180 LEU CB C 13 43.484 0.000 . 1 . . . . . . . . . 5072 1 1696 . 1 1 180 180 LEU HB2 H 1 2.044 0.000 . 1 . . . . . . . . . 5072 1 1697 . 1 1 180 180 LEU HB3 H 1 2.044 0.000 . 1 . . . . . . . . . 5072 1 1698 . 1 1 180 180 LEU CG C 13 26.757 0.000 . 1 . . . . . . . . . 5072 1 1699 . 1 1 180 180 LEU HG H 1 1.615 0.000 . 1 . . . . . . . . . 5072 1 1700 . 1 1 180 180 LEU HD11 H 1 1.244 0.000 . 2 . . . . . . . . . 5072 1 1701 . 1 1 180 180 LEU HD12 H 1 1.244 0.000 . 2 . . . . . . . . . 5072 1 1702 . 1 1 180 180 LEU HD13 H 1 1.244 0.000 . 2 . . . . . . . . . 5072 1 1703 . 1 1 180 180 LEU HD21 H 1 0.956 0.000 . 2 . . . . . . . . . 5072 1 1704 . 1 1 180 180 LEU HD22 H 1 0.956 0.000 . 2 . . . . . . . . . 5072 1 1705 . 1 1 180 180 LEU HD23 H 1 0.956 0.000 . 2 . . . . . . . . . 5072 1 1706 . 1 1 180 180 LEU CD1 C 13 24.022 0.000 . 1 . . . . . . . . . 5072 1 1707 . 1 1 180 180 LEU CD2 C 13 25.663 0.000 . 1 . . . . . . . . . 5072 1 1708 . 1 1 180 180 LEU C C 13 174.748 0.000 . 1 . . . . . . . . . 5072 1 1709 . 1 1 181 181 GLN N N 15 130.836 0.000 . 1 . . . . . . . . . 5072 1 1710 . 1 1 181 181 GLN H H 1 9.984 0.000 . 1 . . . . . . . . . 5072 1 1711 . 1 1 181 181 GLN CA C 13 53.573 0.000 . 1 . . . . . . . . . 5072 1 1712 . 1 1 181 181 GLN HA H 1 5.319 0.000 . 1 . . . . . . . . . 5072 1 1713 . 1 1 181 181 GLN CB C 13 28.315 0.000 . 1 . . . . . . . . . 5072 1 1714 . 1 1 181 181 GLN HB2 H 1 2.189 0.000 . 1 . . . . . . . . . 5072 1 1715 . 1 1 181 181 GLN HB3 H 1 2.189 0.000 . 1 . . . . . . . . . 5072 1 1716 . 1 1 181 181 GLN C C 13 174.327 0.000 . 1 . . . . . . . . . 5072 1 1717 . 1 1 182 182 VAL N N 15 126.951 0.000 . 1 . . . . . . . . . 5072 1 1718 . 1 1 182 182 VAL H H 1 9.759 0.000 . 1 . . . . . . . . . 5072 1 1719 . 1 1 182 182 VAL CA C 13 61.210 0.000 . 1 . . . . . . . . . 5072 1 1720 . 1 1 182 182 VAL HA H 1 4.921 0.000 . 1 . . . . . . . . . 5072 1 1721 . 1 1 182 182 VAL CB C 13 33.593 0.000 . 1 . . . . . . . . . 5072 1 1722 . 1 1 182 182 VAL HB H 1 2.280 0.000 . 1 . . . . . . . . . 5072 1 1723 . 1 1 182 182 VAL HG11 H 1 1.077 0.000 . 2 . . . . . . . . . 5072 1 1724 . 1 1 182 182 VAL HG12 H 1 1.077 0.000 . 2 . . . . . . . . . 5072 1 1725 . 1 1 182 182 VAL HG13 H 1 1.077 0.000 . 2 . . . . . . . . . 5072 1 1726 . 1 1 182 182 VAL HG21 H 1 1.114 0.000 . 2 . . . . . . . . . 5072 1 1727 . 1 1 182 182 VAL HG22 H 1 1.114 0.000 . 2 . . . . . . . . . 5072 1 1728 . 1 1 182 182 VAL HG23 H 1 1.114 0.000 . 2 . . . . . . . . . 5072 1 1729 . 1 1 182 182 VAL CG1 C 13 21.288 0.000 . 1 . . . . . . . . . 5072 1 1730 . 1 1 182 182 VAL CG2 C 13 21.015 0.000 . 1 . . . . . . . . . 5072 1 1731 . 1 1 182 182 VAL C C 13 175.704 0.000 . 1 . . . . . . . . . 5072 1 1732 . 1 1 183 183 TYR N N 15 130.562 0.000 . 1 . . . . . . . . . 5072 1 1733 . 1 1 183 183 TYR H H 1 9.693 0.000 . 1 . . . . . . . . . 5072 1 1734 . 1 1 183 183 TYR CA C 13 58.297 0.000 . 1 . . . . . . . . . 5072 1 1735 . 1 1 183 183 TYR HA H 1 4.728 0.000 . 1 . . . . . . . . . 5072 1 1736 . 1 1 183 183 TYR CB C 13 39.634 0.000 . 1 . . . . . . . . . 5072 1 1737 . 1 1 183 183 TYR HB2 H 1 3.277 0.000 . 2 . . . . . . . . . 5072 1 1738 . 1 1 183 183 TYR HB3 H 1 2.523 0.000 . 2 . . . . . . . . . 5072 1 1739 . 1 1 183 183 TYR HD1 H 1 6.981 0.000 . 1 . . . . . . . . . 5072 1 1740 . 1 1 183 183 TYR HE1 H 1 6.545 0.000 . 1 . . . . . . . . . 5072 1 1741 . 1 1 183 183 TYR HE2 H 1 6.545 0.000 . 1 . . . . . . . . . 5072 1 1742 . 1 1 183 183 TYR HD2 H 1 6.981 0.000 . 1 . . . . . . . . . 5072 1 1743 . 1 1 183 183 TYR C C 13 171.742 0.000 . 1 . . . . . . . . . 5072 1 1744 . 1 1 184 184 TYR N N 15 127.802 0.000 . 1 . . . . . . . . . 5072 1 1745 . 1 1 184 184 TYR H H 1 7.483 0.000 . 1 . . . . . . . . . 5072 1 1746 . 1 1 184 184 TYR CA C 13 55.739 0.000 . 1 . . . . . . . . . 5072 1 1747 . 1 1 184 184 TYR HA H 1 5.593 0.000 . 1 . . . . . . . . . 5072 1 1748 . 1 1 184 184 TYR CB C 13 39.800 0.000 . 1 . . . . . . . . . 5072 1 1749 . 1 1 184 184 TYR HB2 H 1 2.855 0.000 . 1 . . . . . . . . . 5072 1 1750 . 1 1 184 184 TYR HB3 H 1 2.855 0.000 . 1 . . . . . . . . . 5072 1 1751 . 1 1 184 184 TYR HD1 H 1 7.112 0.000 . 1 . . . . . . . . . 5072 1 1752 . 1 1 184 184 TYR HE1 H 1 6.692 0.000 . 1 . . . . . . . . . 5072 1 1753 . 1 1 184 184 TYR HE2 H 1 6.692 0.000 . 1 . . . . . . . . . 5072 1 1754 . 1 1 184 184 TYR HD2 H 1 7.112 0.000 . 1 . . . . . . . . . 5072 1 stop_ save_