data_53491 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53491 _Entry.Title ; Resonance assignment of rituximab-Fab ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-12-23 _Entry.Accession_date 2025-12-23 _Entry.Last_release_date 2025-12-23 _Entry.Original_release_date 2025-12-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Donald Gagne . . . 0000-0002-3938-6567 53491 2 Yves Aubin . . . 0000-0002-8554-0297 53491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1364 53491 '15N chemical shifts' 393 53491 '1H chemical shifts' 795 53491 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 . . 2026-03-31 . original BMRB . 53491 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53491 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Complete and Rapid NMR Characterization of Therapeutic Monoclonal Antibodies via Differential Labelling of Fab fragments in Escherichia coli ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Anal. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Donald Gagne . . . . 53491 1 2 Yves Aubin . . . . 53491 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Escherichia coli' 53491 1 'Monoclonal antibody' 53491 1 'NMR spectroscopy, Fab and Fc' 53491 1 'bevacizumab, infliximab, rituximab, trastuzumab' 53491 1 'fragment antigen binding' 53491 1 'protein refolding' 53491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53491 _Assembly.ID 1 _Assembly.Name Rituximab-Fab _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hcFab 1 $entity_1 . . yes native no no . . . 53491 1 2 lc 2 $entity_2 . . yes native no no . . . 53491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MQVQLQQPGAELVKPGASVK MSCKASGYTFTSYNMHWVKQ TPGRGLEWIGAIYPGNGDTS YNQKFKGKATLTADKSSSTA YMQLSSLTSEDSAVYYCARS TYYGGDWYFNVWGAGTTVTV SAASTKGPSVFPLAPSSKST SGGTAALGCLVKDYFPEPVT VSWNSGALTSGVHTFPAVLQ SSGLYSLSSVVTVPSSSLGT QTYICNVNHKPSNTKVDKKA EPKSCDKTH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details No _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 53491 1 2 1 GLN . 53491 1 3 2 VAL . 53491 1 4 3 GLN . 53491 1 5 4 LEU . 53491 1 6 5 GLN . 53491 1 7 6 GLN . 53491 1 8 7 PRO . 53491 1 9 8 GLY . 53491 1 10 9 ALA . 53491 1 11 10 GLU . 53491 1 12 11 LEU . 53491 1 13 12 VAL . 53491 1 14 13 LYS . 53491 1 15 14 PRO . 53491 1 16 15 GLY . 53491 1 17 16 ALA . 53491 1 18 17 SER . 53491 1 19 18 VAL . 53491 1 20 19 LYS . 53491 1 21 20 MET . 53491 1 22 21 SER . 53491 1 23 22 CYS . 53491 1 24 23 LYS . 53491 1 25 24 ALA . 53491 1 26 25 SER . 53491 1 27 26 GLY . 53491 1 28 27 TYR . 53491 1 29 28 THR . 53491 1 30 29 PHE . 53491 1 31 30 THR . 53491 1 32 31 SER . 53491 1 33 32 TYR . 53491 1 34 33 ASN . 53491 1 35 34 MET . 53491 1 36 35 HIS . 53491 1 37 36 TRP . 53491 1 38 37 VAL . 53491 1 39 38 LYS . 53491 1 40 39 GLN . 53491 1 41 40 THR . 53491 1 42 41 PRO . 53491 1 43 42 GLY . 53491 1 44 43 ARG . 53491 1 45 44 GLY . 53491 1 46 45 LEU . 53491 1 47 46 GLU . 53491 1 48 47 TRP . 53491 1 49 48 ILE . 53491 1 50 49 GLY . 53491 1 51 50 ALA . 53491 1 52 51 ILE . 53491 1 53 52 TYR . 53491 1 54 53 PRO . 53491 1 55 54 GLY . 53491 1 56 55 ASN . 53491 1 57 56 GLY . 53491 1 58 57 ASP . 53491 1 59 58 THR . 53491 1 60 59 SER . 53491 1 61 60 TYR . 53491 1 62 61 ASN . 53491 1 63 62 GLN . 53491 1 64 63 LYS . 53491 1 65 64 PHE . 53491 1 66 65 LYS . 53491 1 67 66 GLY . 53491 1 68 67 LYS . 53491 1 69 68 ALA . 53491 1 70 69 THR . 53491 1 71 70 LEU . 53491 1 72 71 THR . 53491 1 73 72 ALA . 53491 1 74 73 ASP . 53491 1 75 74 LYS . 53491 1 76 75 SER . 53491 1 77 76 SER . 53491 1 78 77 SER . 53491 1 79 78 THR . 53491 1 80 79 ALA . 53491 1 81 80 TYR . 53491 1 82 81 MET . 53491 1 83 82 GLN . 53491 1 84 83 LEU . 53491 1 85 84 SER . 53491 1 86 85 SER . 53491 1 87 86 LEU . 53491 1 88 87 THR . 53491 1 89 88 SER . 53491 1 90 89 GLU . 53491 1 91 90 ASP . 53491 1 92 91 SER . 53491 1 93 92 ALA . 53491 1 94 93 VAL . 53491 1 95 94 TYR . 53491 1 96 95 TYR . 53491 1 97 96 CYS . 53491 1 98 97 ALA . 53491 1 99 98 ARG . 53491 1 100 99 SER . 53491 1 101 100 THR . 53491 1 102 101 TYR . 53491 1 103 102 TYR . 53491 1 104 103 GLY . 53491 1 105 104 GLY . 53491 1 106 105 ASP . 53491 1 107 106 TRP . 53491 1 108 107 TYR . 53491 1 109 108 PHE . 53491 1 110 109 ASN . 53491 1 111 110 VAL . 53491 1 112 111 TRP . 53491 1 113 112 GLY . 53491 1 114 113 ALA . 53491 1 115 114 GLY . 53491 1 116 115 THR . 53491 1 117 116 THR . 53491 1 118 117 VAL . 53491 1 119 118 THR . 53491 1 120 119 VAL . 53491 1 121 120 SER . 53491 1 122 121 ALA . 53491 1 123 122 ALA . 53491 1 124 123 SER . 53491 1 125 124 THR . 53491 1 126 125 LYS . 53491 1 127 126 GLY . 53491 1 128 127 PRO . 53491 1 129 128 SER . 53491 1 130 129 VAL . 53491 1 131 130 PHE . 53491 1 132 131 PRO . 53491 1 133 132 LEU . 53491 1 134 133 ALA . 53491 1 135 134 PRO . 53491 1 136 135 SER . 53491 1 137 136 SER . 53491 1 138 137 LYS . 53491 1 139 138 SER . 53491 1 140 139 THR . 53491 1 141 140 SER . 53491 1 142 141 GLY . 53491 1 143 142 GLY . 53491 1 144 143 THR . 53491 1 145 144 ALA . 53491 1 146 145 ALA . 53491 1 147 146 LEU . 53491 1 148 147 GLY . 53491 1 149 148 CYS . 53491 1 150 149 LEU . 53491 1 151 150 VAL . 53491 1 152 151 LYS . 53491 1 153 152 ASP . 53491 1 154 153 TYR . 53491 1 155 154 PHE . 53491 1 156 155 PRO . 53491 1 157 156 GLU . 53491 1 158 157 PRO . 53491 1 159 158 VAL . 53491 1 160 159 THR . 53491 1 161 160 VAL . 53491 1 162 161 SER . 53491 1 163 162 TRP . 53491 1 164 163 ASN . 53491 1 165 164 SER . 53491 1 166 165 GLY . 53491 1 167 166 ALA . 53491 1 168 167 LEU . 53491 1 169 168 THR . 53491 1 170 169 SER . 53491 1 171 170 GLY . 53491 1 172 171 VAL . 53491 1 173 172 HIS . 53491 1 174 173 THR . 53491 1 175 174 PHE . 53491 1 176 175 PRO . 53491 1 177 176 ALA . 53491 1 178 177 VAL . 53491 1 179 178 LEU . 53491 1 180 179 GLN . 53491 1 181 180 SER . 53491 1 182 181 SER . 53491 1 183 182 GLY . 53491 1 184 183 LEU . 53491 1 185 184 TYR . 53491 1 186 185 SER . 53491 1 187 186 LEU . 53491 1 188 187 SER . 53491 1 189 188 SER . 53491 1 190 189 VAL . 53491 1 191 190 VAL . 53491 1 192 191 THR . 53491 1 193 192 VAL . 53491 1 194 193 PRO . 53491 1 195 194 SER . 53491 1 196 195 SER . 53491 1 197 196 SER . 53491 1 198 197 LEU . 53491 1 199 198 GLY . 53491 1 200 199 THR . 53491 1 201 200 GLN . 53491 1 202 201 THR . 53491 1 203 202 TYR . 53491 1 204 203 ILE . 53491 1 205 204 CYS . 53491 1 206 205 ASN . 53491 1 207 206 VAL . 53491 1 208 207 ASN . 53491 1 209 208 HIS . 53491 1 210 209 LYS . 53491 1 211 210 PRO . 53491 1 212 211 SER . 53491 1 213 212 ASN . 53491 1 214 213 THR . 53491 1 215 214 LYS . 53491 1 216 215 VAL . 53491 1 217 216 ASP . 53491 1 218 217 LYS . 53491 1 219 218 LYS . 53491 1 220 219 ALA . 53491 1 221 220 GLU . 53491 1 222 221 PRO . 53491 1 223 222 LYS . 53491 1 224 223 SER . 53491 1 225 224 CYS . 53491 1 226 225 ASP . 53491 1 227 226 LYS . 53491 1 228 227 THR . 53491 1 229 228 HIS . 53491 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53491 1 . GLN 2 2 53491 1 . VAL 3 3 53491 1 . GLN 4 4 53491 1 . LEU 5 5 53491 1 . GLN 6 6 53491 1 . GLN 7 7 53491 1 . PRO 8 8 53491 1 . GLY 9 9 53491 1 . ALA 10 10 53491 1 . GLU 11 11 53491 1 . LEU 12 12 53491 1 . VAL 13 13 53491 1 . LYS 14 14 53491 1 . PRO 15 15 53491 1 . GLY 16 16 53491 1 . ALA 17 17 53491 1 . SER 18 18 53491 1 . VAL 19 19 53491 1 . LYS 20 20 53491 1 . MET 21 21 53491 1 . SER 22 22 53491 1 . CYS 23 23 53491 1 . LYS 24 24 53491 1 . ALA 25 25 53491 1 . SER 26 26 53491 1 . GLY 27 27 53491 1 . TYR 28 28 53491 1 . THR 29 29 53491 1 . PHE 30 30 53491 1 . THR 31 31 53491 1 . SER 32 32 53491 1 . TYR 33 33 53491 1 . ASN 34 34 53491 1 . MET 35 35 53491 1 . HIS 36 36 53491 1 . TRP 37 37 53491 1 . VAL 38 38 53491 1 . LYS 39 39 53491 1 . GLN 40 40 53491 1 . THR 41 41 53491 1 . PRO 42 42 53491 1 . GLY 43 43 53491 1 . ARG 44 44 53491 1 . GLY 45 45 53491 1 . LEU 46 46 53491 1 . GLU 47 47 53491 1 . TRP 48 48 53491 1 . ILE 49 49 53491 1 . GLY 50 50 53491 1 . ALA 51 51 53491 1 . ILE 52 52 53491 1 . TYR 53 53 53491 1 . PRO 54 54 53491 1 . GLY 55 55 53491 1 . ASN 56 56 53491 1 . GLY 57 57 53491 1 . ASP 58 58 53491 1 . THR 59 59 53491 1 . SER 60 60 53491 1 . TYR 61 61 53491 1 . ASN 62 62 53491 1 . GLN 63 63 53491 1 . LYS 64 64 53491 1 . PHE 65 65 53491 1 . LYS 66 66 53491 1 . GLY 67 67 53491 1 . LYS 68 68 53491 1 . ALA 69 69 53491 1 . THR 70 70 53491 1 . LEU 71 71 53491 1 . THR 72 72 53491 1 . ALA 73 73 53491 1 . ASP 74 74 53491 1 . LYS 75 75 53491 1 . SER 76 76 53491 1 . SER 77 77 53491 1 . SER 78 78 53491 1 . THR 79 79 53491 1 . ALA 80 80 53491 1 . TYR 81 81 53491 1 . MET 82 82 53491 1 . GLN 83 83 53491 1 . LEU 84 84 53491 1 . SER 85 85 53491 1 . SER 86 86 53491 1 . LEU 87 87 53491 1 . THR 88 88 53491 1 . SER 89 89 53491 1 . GLU 90 90 53491 1 . ASP 91 91 53491 1 . SER 92 92 53491 1 . ALA 93 93 53491 1 . VAL 94 94 53491 1 . TYR 95 95 53491 1 . TYR 96 96 53491 1 . CYS 97 97 53491 1 . ALA 98 98 53491 1 . ARG 99 99 53491 1 . SER 100 100 53491 1 . THR 101 101 53491 1 . TYR 102 102 53491 1 . TYR 103 103 53491 1 . GLY 104 104 53491 1 . GLY 105 105 53491 1 . ASP 106 106 53491 1 . TRP 107 107 53491 1 . TYR 108 108 53491 1 . PHE 109 109 53491 1 . ASN 110 110 53491 1 . VAL 111 111 53491 1 . TRP 112 112 53491 1 . GLY 113 113 53491 1 . ALA 114 114 53491 1 . GLY 115 115 53491 1 . THR 116 116 53491 1 . THR 117 117 53491 1 . VAL 118 118 53491 1 . THR 119 119 53491 1 . VAL 120 120 53491 1 . SER 121 121 53491 1 . ALA 122 122 53491 1 . ALA 123 123 53491 1 . SER 124 124 53491 1 . THR 125 125 53491 1 . LYS 126 126 53491 1 . GLY 127 127 53491 1 . PRO 128 128 53491 1 . SER 129 129 53491 1 . VAL 130 130 53491 1 . PHE 131 131 53491 1 . PRO 132 132 53491 1 . LEU 133 133 53491 1 . ALA 134 134 53491 1 . PRO 135 135 53491 1 . SER 136 136 53491 1 . SER 137 137 53491 1 . LYS 138 138 53491 1 . SER 139 139 53491 1 . THR 140 140 53491 1 . SER 141 141 53491 1 . GLY 142 142 53491 1 . GLY 143 143 53491 1 . THR 144 144 53491 1 . ALA 145 145 53491 1 . ALA 146 146 53491 1 . LEU 147 147 53491 1 . GLY 148 148 53491 1 . CYS 149 149 53491 1 . LEU 150 150 53491 1 . VAL 151 151 53491 1 . LYS 152 152 53491 1 . ASP 153 153 53491 1 . TYR 154 154 53491 1 . PHE 155 155 53491 1 . PRO 156 156 53491 1 . GLU 157 157 53491 1 . PRO 158 158 53491 1 . VAL 159 159 53491 1 . THR 160 160 53491 1 . VAL 161 161 53491 1 . SER 162 162 53491 1 . TRP 163 163 53491 1 . ASN 164 164 53491 1 . SER 165 165 53491 1 . GLY 166 166 53491 1 . ALA 167 167 53491 1 . LEU 168 168 53491 1 . THR 169 169 53491 1 . SER 170 170 53491 1 . GLY 171 171 53491 1 . VAL 172 172 53491 1 . HIS 173 173 53491 1 . THR 174 174 53491 1 . PHE 175 175 53491 1 . PRO 176 176 53491 1 . ALA 177 177 53491 1 . VAL 178 178 53491 1 . LEU 179 179 53491 1 . GLN 180 180 53491 1 . SER 181 181 53491 1 . SER 182 182 53491 1 . GLY 183 183 53491 1 . LEU 184 184 53491 1 . TYR 185 185 53491 1 . SER 186 186 53491 1 . LEU 187 187 53491 1 . SER 188 188 53491 1 . SER 189 189 53491 1 . VAL 190 190 53491 1 . VAL 191 191 53491 1 . THR 192 192 53491 1 . VAL 193 193 53491 1 . PRO 194 194 53491 1 . SER 195 195 53491 1 . SER 196 196 53491 1 . SER 197 197 53491 1 . LEU 198 198 53491 1 . GLY 199 199 53491 1 . THR 200 200 53491 1 . GLN 201 201 53491 1 . THR 202 202 53491 1 . TYR 203 203 53491 1 . ILE 204 204 53491 1 . CYS 205 205 53491 1 . ASN 206 206 53491 1 . VAL 207 207 53491 1 . ASN 208 208 53491 1 . HIS 209 209 53491 1 . LYS 210 210 53491 1 . PRO 211 211 53491 1 . SER 212 212 53491 1 . ASN 213 213 53491 1 . THR 214 214 53491 1 . LYS 215 215 53491 1 . VAL 216 216 53491 1 . ASP 217 217 53491 1 . LYS 218 218 53491 1 . LYS 219 219 53491 1 . ALA 220 220 53491 1 . GLU 221 221 53491 1 . PRO 222 222 53491 1 . LYS 223 223 53491 1 . SER 224 224 53491 1 . CYS 225 225 53491 1 . ASP 226 226 53491 1 . LYS 227 227 53491 1 . THR 228 228 53491 1 . HIS 229 229 53491 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53491 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MQIVLSQSPAILSASPGEKV TMTCRASSSVSYIHWFQQKP GSSPKPWIYATSNLASGVPV RFSGSGSGTSYSLTISRVEA EDAATYYCQQWTSNPPTFGG GTKLEIKRTVAAPSVFIFPP SDEQLKSGTASVVCLLNNFY PREAKVQWKVDNALQSGNSQ ESVTEQDSKDSTYSLSSTLT LSKADYEKHKVYACEVTHQG LSSPVTKSFNRGEC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details No _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 53491 2 2 1 GLN . 53491 2 3 2 ILE . 53491 2 4 3 VAL . 53491 2 5 4 LEU . 53491 2 6 5 SER . 53491 2 7 6 GLN . 53491 2 8 7 SER . 53491 2 9 8 PRO . 53491 2 10 9 ALA . 53491 2 11 10 ILE . 53491 2 12 11 LEU . 53491 2 13 12 SER . 53491 2 14 13 ALA . 53491 2 15 14 SER . 53491 2 16 15 PRO . 53491 2 17 16 GLY . 53491 2 18 17 GLU . 53491 2 19 18 LYS . 53491 2 20 19 VAL . 53491 2 21 20 THR . 53491 2 22 21 MET . 53491 2 23 22 THR . 53491 2 24 23 CYS . 53491 2 25 24 ARG . 53491 2 26 25 ALA . 53491 2 27 26 SER . 53491 2 28 27 SER . 53491 2 29 28 SER . 53491 2 30 29 VAL . 53491 2 31 30 SER . 53491 2 32 31 TYR . 53491 2 33 32 ILE . 53491 2 34 33 HIS . 53491 2 35 34 TRP . 53491 2 36 35 PHE . 53491 2 37 36 GLN . 53491 2 38 37 GLN . 53491 2 39 38 LYS . 53491 2 40 39 PRO . 53491 2 41 40 GLY . 53491 2 42 41 SER . 53491 2 43 42 SER . 53491 2 44 43 PRO . 53491 2 45 44 LYS . 53491 2 46 45 PRO . 53491 2 47 46 TRP . 53491 2 48 47 ILE . 53491 2 49 48 TYR . 53491 2 50 49 ALA . 53491 2 51 50 THR . 53491 2 52 51 SER . 53491 2 53 52 ASN . 53491 2 54 53 LEU . 53491 2 55 54 ALA . 53491 2 56 55 SER . 53491 2 57 56 GLY . 53491 2 58 57 VAL . 53491 2 59 58 PRO . 53491 2 60 59 VAL . 53491 2 61 60 ARG . 53491 2 62 61 PHE . 53491 2 63 62 SER . 53491 2 64 63 GLY . 53491 2 65 64 SER . 53491 2 66 65 GLY . 53491 2 67 66 SER . 53491 2 68 67 GLY . 53491 2 69 68 THR . 53491 2 70 69 SER . 53491 2 71 70 TYR . 53491 2 72 71 SER . 53491 2 73 72 LEU . 53491 2 74 73 THR . 53491 2 75 74 ILE . 53491 2 76 75 SER . 53491 2 77 76 ARG . 53491 2 78 77 VAL . 53491 2 79 78 GLU . 53491 2 80 79 ALA . 53491 2 81 80 GLU . 53491 2 82 81 ASP . 53491 2 83 82 ALA . 53491 2 84 83 ALA . 53491 2 85 84 THR . 53491 2 86 85 TYR . 53491 2 87 86 TYR . 53491 2 88 87 CYS . 53491 2 89 88 GLN . 53491 2 90 89 GLN . 53491 2 91 90 TRP . 53491 2 92 91 THR . 53491 2 93 92 SER . 53491 2 94 93 ASN . 53491 2 95 94 PRO . 53491 2 96 95 PRO . 53491 2 97 96 THR . 53491 2 98 97 PHE . 53491 2 99 98 GLY . 53491 2 100 99 GLY . 53491 2 101 100 GLY . 53491 2 102 101 THR . 53491 2 103 102 LYS . 53491 2 104 103 LEU . 53491 2 105 104 GLU . 53491 2 106 105 ILE . 53491 2 107 106 LYS . 53491 2 108 107 ARG . 53491 2 109 108 THR . 53491 2 110 109 VAL . 53491 2 111 110 ALA . 53491 2 112 111 ALA . 53491 2 113 112 PRO . 53491 2 114 113 SER . 53491 2 115 114 VAL . 53491 2 116 115 PHE . 53491 2 117 116 ILE . 53491 2 118 117 PHE . 53491 2 119 118 PRO . 53491 2 120 119 PRO . 53491 2 121 120 SER . 53491 2 122 121 ASP . 53491 2 123 122 GLU . 53491 2 124 123 GLN . 53491 2 125 124 LEU . 53491 2 126 125 LYS . 53491 2 127 126 SER . 53491 2 128 127 GLY . 53491 2 129 128 THR . 53491 2 130 129 ALA . 53491 2 131 130 SER . 53491 2 132 131 VAL . 53491 2 133 132 VAL . 53491 2 134 133 CYS . 53491 2 135 134 LEU . 53491 2 136 135 LEU . 53491 2 137 136 ASN . 53491 2 138 137 ASN . 53491 2 139 138 PHE . 53491 2 140 139 TYR . 53491 2 141 140 PRO . 53491 2 142 141 ARG . 53491 2 143 142 GLU . 53491 2 144 143 ALA . 53491 2 145 144 LYS . 53491 2 146 145 VAL . 53491 2 147 146 GLN . 53491 2 148 147 TRP . 53491 2 149 148 LYS . 53491 2 150 149 VAL . 53491 2 151 150 ASP . 53491 2 152 151 ASN . 53491 2 153 152 ALA . 53491 2 154 153 LEU . 53491 2 155 154 GLN . 53491 2 156 155 SER . 53491 2 157 156 GLY . 53491 2 158 157 ASN . 53491 2 159 158 SER . 53491 2 160 159 GLN . 53491 2 161 160 GLU . 53491 2 162 161 SER . 53491 2 163 162 VAL . 53491 2 164 163 THR . 53491 2 165 164 GLU . 53491 2 166 165 GLN . 53491 2 167 166 ASP . 53491 2 168 167 SER . 53491 2 169 168 LYS . 53491 2 170 169 ASP . 53491 2 171 170 SER . 53491 2 172 171 THR . 53491 2 173 172 TYR . 53491 2 174 173 SER . 53491 2 175 174 LEU . 53491 2 176 175 SER . 53491 2 177 176 SER . 53491 2 178 177 THR . 53491 2 179 178 LEU . 53491 2 180 179 THR . 53491 2 181 180 LEU . 53491 2 182 181 SER . 53491 2 183 182 LYS . 53491 2 184 183 ALA . 53491 2 185 184 ASP . 53491 2 186 185 TYR . 53491 2 187 186 GLU . 53491 2 188 187 LYS . 53491 2 189 188 HIS . 53491 2 190 189 LYS . 53491 2 191 190 VAL . 53491 2 192 191 TYR . 53491 2 193 192 ALA . 53491 2 194 193 CYS . 53491 2 195 194 GLU . 53491 2 196 195 VAL . 53491 2 197 196 THR . 53491 2 198 197 HIS . 53491 2 199 198 GLN . 53491 2 200 199 GLY . 53491 2 201 200 LEU . 53491 2 202 201 SER . 53491 2 203 202 SER . 53491 2 204 203 PRO . 53491 2 205 204 VAL . 53491 2 206 205 THR . 53491 2 207 206 LYS . 53491 2 208 207 SER . 53491 2 209 208 PHE . 53491 2 210 209 ASN . 53491 2 211 210 ARG . 53491 2 212 211 GLY . 53491 2 213 212 GLU . 53491 2 214 213 CYS . 53491 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53491 2 . GLN 2 2 53491 2 . ILE 3 3 53491 2 . VAL 4 4 53491 2 . LEU 5 5 53491 2 . SER 6 6 53491 2 . GLN 7 7 53491 2 . SER 8 8 53491 2 . PRO 9 9 53491 2 . ALA 10 10 53491 2 . ILE 11 11 53491 2 . LEU 12 12 53491 2 . SER 13 13 53491 2 . ALA 14 14 53491 2 . SER 15 15 53491 2 . PRO 16 16 53491 2 . GLY 17 17 53491 2 . GLU 18 18 53491 2 . LYS 19 19 53491 2 . VAL 20 20 53491 2 . THR 21 21 53491 2 . MET 22 22 53491 2 . THR 23 23 53491 2 . CYS 24 24 53491 2 . ARG 25 25 53491 2 . ALA 26 26 53491 2 . SER 27 27 53491 2 . SER 28 28 53491 2 . SER 29 29 53491 2 . VAL 30 30 53491 2 . SER 31 31 53491 2 . TYR 32 32 53491 2 . ILE 33 33 53491 2 . HIS 34 34 53491 2 . TRP 35 35 53491 2 . PHE 36 36 53491 2 . GLN 37 37 53491 2 . GLN 38 38 53491 2 . LYS 39 39 53491 2 . PRO 40 40 53491 2 . GLY 41 41 53491 2 . SER 42 42 53491 2 . SER 43 43 53491 2 . PRO 44 44 53491 2 . LYS 45 45 53491 2 . PRO 46 46 53491 2 . TRP 47 47 53491 2 . ILE 48 48 53491 2 . TYR 49 49 53491 2 . ALA 50 50 53491 2 . THR 51 51 53491 2 . SER 52 52 53491 2 . ASN 53 53 53491 2 . LEU 54 54 53491 2 . ALA 55 55 53491 2 . SER 56 56 53491 2 . GLY 57 57 53491 2 . VAL 58 58 53491 2 . PRO 59 59 53491 2 . VAL 60 60 53491 2 . ARG 61 61 53491 2 . PHE 62 62 53491 2 . SER 63 63 53491 2 . GLY 64 64 53491 2 . SER 65 65 53491 2 . GLY 66 66 53491 2 . SER 67 67 53491 2 . GLY 68 68 53491 2 . THR 69 69 53491 2 . SER 70 70 53491 2 . TYR 71 71 53491 2 . SER 72 72 53491 2 . LEU 73 73 53491 2 . THR 74 74 53491 2 . ILE 75 75 53491 2 . SER 76 76 53491 2 . ARG 77 77 53491 2 . VAL 78 78 53491 2 . GLU 79 79 53491 2 . ALA 80 80 53491 2 . GLU 81 81 53491 2 . ASP 82 82 53491 2 . ALA 83 83 53491 2 . ALA 84 84 53491 2 . THR 85 85 53491 2 . TYR 86 86 53491 2 . TYR 87 87 53491 2 . CYS 88 88 53491 2 . GLN 89 89 53491 2 . GLN 90 90 53491 2 . TRP 91 91 53491 2 . THR 92 92 53491 2 . SER 93 93 53491 2 . ASN 94 94 53491 2 . PRO 95 95 53491 2 . PRO 96 96 53491 2 . THR 97 97 53491 2 . PHE 98 98 53491 2 . GLY 99 99 53491 2 . GLY 100 100 53491 2 . GLY 101 101 53491 2 . THR 102 102 53491 2 . LYS 103 103 53491 2 . LEU 104 104 53491 2 . GLU 105 105 53491 2 . ILE 106 106 53491 2 . LYS 107 107 53491 2 . ARG 108 108 53491 2 . THR 109 109 53491 2 . VAL 110 110 53491 2 . ALA 111 111 53491 2 . ALA 112 112 53491 2 . PRO 113 113 53491 2 . SER 114 114 53491 2 . VAL 115 115 53491 2 . PHE 116 116 53491 2 . ILE 117 117 53491 2 . PHE 118 118 53491 2 . PRO 119 119 53491 2 . PRO 120 120 53491 2 . SER 121 121 53491 2 . ASP 122 122 53491 2 . GLU 123 123 53491 2 . GLN 124 124 53491 2 . LEU 125 125 53491 2 . LYS 126 126 53491 2 . SER 127 127 53491 2 . GLY 128 128 53491 2 . THR 129 129 53491 2 . ALA 130 130 53491 2 . SER 131 131 53491 2 . VAL 132 132 53491 2 . VAL 133 133 53491 2 . CYS 134 134 53491 2 . LEU 135 135 53491 2 . LEU 136 136 53491 2 . ASN 137 137 53491 2 . ASN 138 138 53491 2 . PHE 139 139 53491 2 . TYR 140 140 53491 2 . PRO 141 141 53491 2 . ARG 142 142 53491 2 . GLU 143 143 53491 2 . ALA 144 144 53491 2 . LYS 145 145 53491 2 . VAL 146 146 53491 2 . GLN 147 147 53491 2 . TRP 148 148 53491 2 . LYS 149 149 53491 2 . VAL 150 150 53491 2 . ASP 151 151 53491 2 . ASN 152 152 53491 2 . ALA 153 153 53491 2 . LEU 154 154 53491 2 . GLN 155 155 53491 2 . SER 156 156 53491 2 . GLY 157 157 53491 2 . ASN 158 158 53491 2 . SER 159 159 53491 2 . GLN 160 160 53491 2 . GLU 161 161 53491 2 . SER 162 162 53491 2 . VAL 163 163 53491 2 . THR 164 164 53491 2 . GLU 165 165 53491 2 . GLN 166 166 53491 2 . ASP 167 167 53491 2 . SER 168 168 53491 2 . LYS 169 169 53491 2 . ASP 170 170 53491 2 . SER 171 171 53491 2 . THR 172 172 53491 2 . TYR 173 173 53491 2 . SER 174 174 53491 2 . LEU 175 175 53491 2 . SER 176 176 53491 2 . SER 177 177 53491 2 . THR 178 178 53491 2 . LEU 179 179 53491 2 . THR 180 180 53491 2 . LEU 181 181 53491 2 . SER 182 182 53491 2 . LYS 183 183 53491 2 . ALA 184 184 53491 2 . ASP 185 185 53491 2 . TYR 186 186 53491 2 . GLU 187 187 53491 2 . LYS 188 188 53491 2 . HIS 189 189 53491 2 . LYS 190 190 53491 2 . VAL 191 191 53491 2 . TYR 192 192 53491 2 . ALA 193 193 53491 2 . CYS 194 194 53491 2 . GLU 195 195 53491 2 . VAL 196 196 53491 2 . THR 197 197 53491 2 . HIS 198 198 53491 2 . GLN 199 199 53491 2 . GLY 200 200 53491 2 . LEU 201 201 53491 2 . SER 202 202 53491 2 . SER 203 203 53491 2 . PRO 204 204 53491 2 . VAL 205 205 53491 2 . THR 206 206 53491 2 . LYS 207 207 53491 2 . SER 208 208 53491 2 . PHE 209 209 53491 2 . ASN 210 210 53491 2 . ARG 211 211 53491 2 . GLY 212 212 53491 2 . GLU 213 213 53491 2 . CYS 214 214 53491 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53491 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53491 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53491 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53491 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 53491 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 53491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53491 _Sample.ID 1 _Sample.Name DG2-293 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hcFab_rituximab '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 830 . . uM . . . . 53491 1 2 DSS 'natural abundance' . . . . . . 5 . . mM . . . . 53491 1 3 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 53491 1 4 lc-rituximab 'natural abundance' . . 2 $entity_2 . . 830 . . uM . . . . 53491 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53491 _Sample.ID 2 _Sample.Name DG2-295 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lc-rituximab '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 2 $entity_2 . . 540 . . uM . . . . 53491 2 2 DSS 'natural abundance' . . . . . . 5 . . mM . . . . 53491 2 3 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 53491 2 4 hcFab_rituximab 'natural abundance' . . 1 $entity_1 . . 540 . . uM . . . . 53491 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53491 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_condition_list.1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 53491 1 temperature 313 . K 53491 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53491 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53491 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53491 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53491 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53491 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53491 3 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 53491 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53491 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700 MHz Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53491 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 2 '3D HN(CA)CO' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 3 '3D HNCA' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 4 '3D HN(CO)CA' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 5 '3D HNCACB' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 6 '3D HN(CO)CACB' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 7 '2D 1H-15N HSQC' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 8 '2D 1H-15N TROSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 9 '2D 1H-13C HSQC' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 10 '3D CCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 11 '3D CCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 12 '3D HCCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 13 '3D HCCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 14 '3D HNCO' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 15 '3D HN(CA)CO' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 16 '3D HNCA' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 17 '3D HN(CO)CA' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 18 '3D HNCACB' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 19 '3D HN(CO)CACB' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 20 '2D 1H-15N HSQC' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 21 '2D 1H-15N TROSY' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 22 '2D 1H-13C HSQC' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53491 1 23 '3D CCH-TOCSY' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 24 '3D CCH-TOCSY' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 25 '3D HCCH-TOCSY' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 26 '3D HCCH-TOCSY' yes no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53491 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D HNCO' hcFab_trhnco_ILV.zip . 'Acquisition parameters' . . 53491 1 2 '3D HN(CA)CO' hcFab_trhncaco_ILV.zip . 'Acquisition parameters' . . 53491 1 3 '3D HNCA' hcFab_trhnca_ILV.zip . 'Acquisition parameters' . . 53491 1 4 '3D HN(CO)CA' hcFab_trhncoca_ILV.zip . 'Acquisition parameters' . . 53491 1 5 '3D HNCACB' hcFab_trhncacb_ILV.zip . 'Acquisition parameters' . . 53491 1 6 '3D HN(CO)CACB' hcFab_trhncocacb_ILV.zip . 'Acquisition parameters' . . 53491 1 7 '2D 1H-15N HSQC' hcFab_Nhsqc_ILV.zip . 'Acquisition parameters' . . 53491 1 8 '2D 1H-15N TROSY' hcFab_trosy_ILV.zip . 'Acquisition parameters' . . 53491 1 9 '2D 1H-13C HSQC' hcFab_Chsqc_ILV.zip . 'Acquisition parameters' . . 53491 1 10 '3D CCH-TOCSY' hcFab_ccctocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 11 '3D CCH-TOCSY' hcFab_cccCAtocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 12 '3D HCCH-TOCSY' hcFab_hcctocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 13 '3D HCCH-TOCSY' hcFab_hccCAtocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 14 '3D HNCO' lc_trhnco_ILV.zip . 'Acquisition parameters' . . 53491 1 15 '3D HN(CA)CO' lc_trhncaco_ILV.zip . 'Acquisition parameters' . . 53491 1 16 '3D HNCA' lc_trhnca_ILV.zip . 'Acquisition parameters' . . 53491 1 17 '3D HN(CO)CA' lc_trhncoca_ILV.zip . 'Acquisition parameters' . . 53491 1 18 '3D HNCACB' lc_trhncacb_ILV.zip . 'Acquisition parameters' . . 53491 1 19 '3D HN(CO)CACB' lc_trhncocacb_ILV.zip . 'Acquisition parameters' . . 53491 1 20 '2D 1H-15N HSQC' lc_Nhsqc_ILV.zip . 'Acquisition parameters' . . 53491 1 21 '2D 1H-15N TROSY' lc_trosy_ILV.zip . 'Acquisition parameters' . . 53491 1 22 '2D 1H-13C HSQC' lc_Chsqc_ILV.zip . 'Acquisition parameters' . . 53491 1 23 '3D CCH-TOCSY' lc_ccctocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 24 '3D CCH-TOCSY' lc_cccCAtocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 25 '3D HCCH-TOCSY' lc_hcctocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 26 '3D HCCH-TOCSY' lc_hccCAtocsy_ILV.zip . 'Acquisition parameters' . . 53491 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53491 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference.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 na 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 53491 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53491 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 53491 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list.1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 53491 1 2 '3D HN(CA)CO' . . . 53491 1 3 '3D HNCA' . . . 53491 1 4 '3D HN(CO)CA' . . . 53491 1 5 '3D HNCACB' . . . 53491 1 6 '3D HN(CO)CACB' . . . 53491 1 7 '2D 1H-15N HSQC' . . . 53491 1 8 '2D 1H-15N TROSY' . . . 53491 1 9 '2D 1H-13C HSQC' . . . 53491 1 10 '3D CCH-TOCSY' . . . 53491 1 11 '3D CCH-TOCSY' . . . 53491 1 12 '3D HCCH-TOCSY' . . . 53491 1 13 '3D HCCH-TOCSY' . . . 53491 1 14 '3D HNCO' . . . 53491 1 15 '3D HN(CA)CO' . . . 53491 1 16 '3D HNCA' . . . 53491 1 17 '3D HN(CO)CA' . . . 53491 1 18 '3D HNCACB' . . . 53491 1 19 '3D HN(CO)CACB' . . . 53491 1 20 '2D 1H-15N HSQC' . . . 53491 1 21 '2D 1H-15N TROSY' . . . 53491 1 22 '2D 1H-13C HSQC' . . . 53491 1 23 '3D CCH-TOCSY' . . . 53491 1 24 '3D CCH-TOCSY' . . . 53491 1 25 '3D HCCH-TOCSY' . . . 53491 1 26 '3D HCCH-TOCSY' . . . 53491 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53491 1 2 $software_2 . . 53491 1 3 $software_3 . . 53491 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN C C 13 175.0994 0.0000 . 1 . . 23114 . . 1 GLN C . 53491 1 2 . 1 . 1 2 2 GLN CA C 13 55.3668 0.0000 . 1 . . 23112 . . 1 GLN CA . 53491 1 3 . 1 . 1 2 2 GLN CB C 13 29.1980 0.0000 . 1 . . 23111 . . 1 GLN CB . 53491 1 4 . 1 . 1 3 3 VAL H H 1 8.1860 0.0000 . 1 . . 12580 . . 2 VAL H . 53491 1 5 . 1 . 1 3 3 VAL HG11 H 1 0.9700 0.0000 . 2 . . . . . 2 VAL HG11 . 53491 1 6 . 1 . 1 3 3 VAL HG12 H 1 0.9700 0.0000 . 2 . . . . . 2 VAL HG11 . 53491 1 7 . 1 . 1 3 3 VAL HG13 H 1 0.9700 0.0000 . 2 . . . . . 2 VAL HG11 . 53491 1 8 . 1 . 1 3 3 VAL HG21 H 1 0.8530 0.0000 . 2 . . . . . 2 VAL HG21 . 53491 1 9 . 1 . 1 3 3 VAL HG22 H 1 0.8530 0.0000 . 2 . . . . . 2 VAL HG21 . 53491 1 10 . 1 . 1 3 3 VAL HG23 H 1 0.8530 0.0000 . 2 . . . . . 2 VAL HG21 . 53491 1 11 . 1 . 1 3 3 VAL C C 13 175.7323 0.0000 . 1 . . 23106 . . 2 VAL C . 53491 1 12 . 1 . 1 3 3 VAL CA C 13 62.0331 0.0000 . 1 . . 23115 . . 2 VAL CA . 53491 1 13 . 1 . 1 3 3 VAL CB C 13 31.4700 0.0000 . 1 . . 23113 . . 2 VAL CB . 53491 1 14 . 1 . 1 3 3 VAL CG1 C 13 21.7210 0.0000 . 2 . . . . . 2 VAL CG1 . 53491 1 15 . 1 . 1 3 3 VAL CG2 C 13 21.9540 0.0000 . 2 . . . . . 2 VAL CG2 . 53491 1 16 . 1 . 1 3 3 VAL N N 15 123.6955 0.0000 . 1 . . 12582 . . 2 VAL N . 53491 1 17 . 1 . 1 4 4 GLN H H 1 8.2732 0.0000 . 1 . . 18199 . . 3 GLN H . 53491 1 18 . 1 . 1 4 4 GLN C C 13 173.2504 0.0000 . 1 . . 22980 . . 3 GLN C . 53491 1 19 . 1 . 1 4 4 GLN CA C 13 54.9499 0.0000 . 1 . . 22977 . . 3 GLN CA . 53491 1 20 . 1 . 1 4 4 GLN CB C 13 32.2860 0.0000 . 1 . . 27582 . . 3 GLN CB . 53491 1 21 . 1 . 1 4 4 GLN N N 15 124.6587 0.0000 . 1 . . 18201 . . 3 GLN N . 53491 1 22 . 1 . 1 5 5 LEU H H 1 8.3652 0.0000 . 1 . . 18667 . . 4 LEU H . 53491 1 23 . 1 . 1 5 5 LEU HD11 H 1 0.6580 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 1 24 . 1 . 1 5 5 LEU HD12 H 1 0.6580 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 1 25 . 1 . 1 5 5 LEU HD13 H 1 0.6580 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 1 26 . 1 . 1 5 5 LEU HD21 H 1 0.9660 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 1 27 . 1 . 1 5 5 LEU HD22 H 1 0.9660 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 1 28 . 1 . 1 5 5 LEU HD23 H 1 0.9660 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 1 29 . 1 . 1 5 5 LEU C C 13 176.1651 0.0000 . 1 . . 28610 . . 4 LEU C . 53491 1 30 . 1 . 1 5 5 LEU CA C 13 53.0741 0.0000 . 1 . . 27924 . . 4 LEU CA . 53491 1 31 . 1 . 1 5 5 LEU CB C 13 41.7949 0.0000 . 1 . . 28775 . . 4 LEU CB . 53491 1 32 . 1 . 1 5 5 LEU CD1 C 13 26.1080 0.0000 . 2 . . . . . 4 LEU CD1 . 53491 1 33 . 1 . 1 5 5 LEU CD2 C 13 24.5240 0.0000 . 2 . . . . . 4 LEU CD2 . 53491 1 34 . 1 . 1 5 5 LEU N N 15 122.8838 0.0000 . 1 . . 18669 . . 4 LEU N . 53491 1 35 . 1 . 1 6 6 GLN H H 1 9.2010 0.0000 . 1 . . 13834 . . 5 GLN H . 53491 1 36 . 1 . 1 6 6 GLN C C 13 175.3066 0.0000 . 1 . . 23292 . . 5 GLN C . 53491 1 37 . 1 . 1 6 6 GLN CA C 13 55.1805 0.0000 . 1 . . 23290 . . 5 GLN CA . 53491 1 38 . 1 . 1 6 6 GLN CB C 13 30.4578 0.0000 . 1 . . 23300 . . 5 GLN CB . 53491 1 39 . 1 . 1 6 6 GLN N N 15 122.7716 0.0000 . 1 . . 13836 . . 5 GLN N . 53491 1 40 . 1 . 1 7 7 GLN H H 1 8.9104 0.0000 . 1 . . 12349 . . 6 GLN H . 53491 1 41 . 1 . 1 7 7 GLN C C 13 173.8909 0.0000 . 1 . . 49137 . . 6 GLN C . 53491 1 42 . 1 . 1 7 7 GLN CA C 13 53.0770 0.0000 . 1 . . 22605 . . 6 GLN CA . 53491 1 43 . 1 . 1 7 7 GLN CB C 13 32.9383 0.0000 . 1 . . 49133 . . 6 GLN CB . 53491 1 44 . 1 . 1 7 7 GLN N N 15 126.8893 0.0000 . 1 . . 12351 . . 6 GLN N . 53491 1 45 . 1 . 1 8 8 PRO C C 13 177.6906 0.0000 . 1 . . 25385 . . 7 PRO C . 53491 1 46 . 1 . 1 8 8 PRO CA C 13 61.8642 0.0000 . 1 . . 25380 . . 7 PRO CA . 53491 1 47 . 1 . 1 8 8 PRO CB C 13 31.5088 0.0000 . 1 . . 25380 . . 7 PRO CB . 53491 1 48 . 1 . 1 9 9 GLY H H 1 8.6645 0.0000 . 1 . . 14485 . . 8 GLY H . 53491 1 49 . 1 . 1 9 9 GLY C C 13 175.2093 0.0000 . 1 . . 25383 . . 8 GLY C . 53491 1 50 . 1 . 1 9 9 GLY CA C 13 47.6300 0.0000 . 1 . . 25386 . . 8 GLY CA . 53491 1 51 . 1 . 1 9 9 GLY N N 15 109.5669 0.0000 . 1 . . 14487 . . 8 GLY N . 53491 1 52 . 1 . 1 10 10 ALA H H 1 7.7760 0.0000 . 1 . . 13930 . . 9 ALA H . 53491 1 53 . 1 . 1 10 10 ALA C C 13 176.4014 0.0000 . 1 . . 23617 . . 9 ALA C . 53491 1 54 . 1 . 1 10 10 ALA CA C 13 51.3863 0.0000 . 1 . . 23622 . . 9 ALA CA . 53491 1 55 . 1 . 1 10 10 ALA CB C 13 21.9584 0.0000 . 1 . . 23623 . . 9 ALA CB . 53491 1 56 . 1 . 1 10 10 ALA N N 15 121.1369 0.0000 . 1 . . 13932 . . 9 ALA N . 53491 1 57 . 1 . 1 11 11 GLU H H 1 8.2438 0.0000 . 1 . . 13006 . . 10 GLU H . 53491 1 58 . 1 . 1 11 11 GLU C C 13 173.6515 0.0000 . 1 . . 24204 . . 10 GLU C . 53491 1 59 . 1 . 1 11 11 GLU CA C 13 54.9111 0.0000 . 1 . . 24206 . . 10 GLU CA . 53491 1 60 . 1 . 1 11 11 GLU CB C 13 32.7525 0.0000 . 1 . . 24212 . . 10 GLU CB . 53491 1 61 . 1 . 1 11 11 GLU N N 15 117.6457 0.0000 . 1 . . 13008 . . 10 GLU N . 53491 1 62 . 1 . 1 12 12 LEU H H 1 8.5328 0.0000 . 1 . . 12343 . . 11 LEU H . 53491 1 63 . 1 . 1 12 12 LEU HD11 H 1 1.0370 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 1 64 . 1 . 1 12 12 LEU HD12 H 1 1.0370 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 1 65 . 1 . 1 12 12 LEU HD13 H 1 1.0370 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 1 66 . 1 . 1 12 12 LEU HD21 H 1 1.0110 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 1 67 . 1 . 1 12 12 LEU HD22 H 1 1.0110 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 1 68 . 1 . 1 12 12 LEU HD23 H 1 1.0110 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 1 69 . 1 . 1 12 12 LEU C C 13 175.7554 0.0000 . 1 . . 22563 . . 11 LEU C . 53491 1 70 . 1 . 1 12 12 LEU CA C 13 53.6817 0.0000 . 1 . . 26300 . . 11 LEU CA . 53491 1 71 . 1 . 1 12 12 LEU CB C 13 42.5465 0.0000 . 1 . . 26370 . . 11 LEU CB . 53491 1 72 . 1 . 1 12 12 LEU CD1 C 13 24.5040 0.0000 . 2 . . . . . 11 LEU CD1 . 53491 1 73 . 1 . 1 12 12 LEU CD2 C 13 25.9320 0.0000 . 2 . . . . . 11 LEU CD2 . 53491 1 74 . 1 . 1 12 12 LEU N N 15 127.0266 0.0000 . 1 . . 12345 . . 11 LEU N . 53491 1 75 . 1 . 1 13 13 VAL H H 1 8.7380 0.0000 . 1 . . 15589 . . 12 VAL H . 53491 1 76 . 1 . 1 13 13 VAL HG11 H 1 0.9110 0.0000 . 2 . . . . . 12 VAL HG11 . 53491 1 77 . 1 . 1 13 13 VAL HG12 H 1 0.9110 0.0000 . 2 . . . . . 12 VAL HG11 . 53491 1 78 . 1 . 1 13 13 VAL HG13 H 1 0.9110 0.0000 . 2 . . . . . 12 VAL HG11 . 53491 1 79 . 1 . 1 13 13 VAL HG21 H 1 0.7080 0.0000 . 2 . . . . . 12 VAL HG21 . 53491 1 80 . 1 . 1 13 13 VAL HG22 H 1 0.7080 0.0000 . 2 . . . . . 12 VAL HG21 . 53491 1 81 . 1 . 1 13 13 VAL HG23 H 1 0.7080 0.0000 . 2 . . . . . 12 VAL HG21 . 53491 1 82 . 1 . 1 13 13 VAL C C 13 173.4167 0.0000 . 1 . . 22767 . . 12 VAL C . 53491 1 83 . 1 . 1 13 13 VAL CA C 13 59.3542 0.0000 . 1 . . 22773 . . 12 VAL CA . 53491 1 84 . 1 . 1 13 13 VAL CB C 13 35.0198 0.0000 . 1 . . 22771 . . 12 VAL CB . 53491 1 85 . 1 . 1 13 13 VAL CG1 C 13 22.3320 0.0000 . 2 . . . . . 12 VAL CG1 . 53491 1 86 . 1 . 1 13 13 VAL CG2 C 13 21.1390 0.0000 . 2 . . . . . 12 VAL CG2 . 53491 1 87 . 1 . 1 13 13 VAL N N 15 125.5868 0.0000 . 1 . . 15591 . . 12 VAL N . 53491 1 88 . 1 . 1 14 14 LYS H H 1 8.1117 0.0000 . 1 . . 13759 . . 13 LYS H . 53491 1 89 . 1 . 1 14 14 LYS C C 13 174.1855 0.0000 . 1 . . 25650 . . 13 LYS C . 53491 1 90 . 1 . 1 14 14 LYS CA C 13 53.7854 0.0000 . 1 . . 25645 . . 13 LYS CA . 53491 1 91 . 1 . 1 14 14 LYS CB C 13 31.0664 0.0000 . 1 . . 25654 . . 13 LYS CB . 53491 1 92 . 1 . 1 14 14 LYS N N 15 123.7538 0.0000 . 1 . . 13761 . . 13 LYS N . 53491 1 93 . 1 . 1 15 15 PRO C C 13 178.1608 0.0000 . 1 . . 24687 . . 14 PRO C . 53491 1 94 . 1 . 1 15 15 PRO CA C 13 62.9836 0.0000 . 1 . . 24683 . . 14 PRO CA . 53491 1 95 . 1 . 1 15 15 PRO CB C 13 30.2048 0.0000 . 1 . . 24683 . . 14 PRO CB . 53491 1 96 . 1 . 1 16 16 GLY H H 1 9.7288 0.0000 . 1 . . 19921 . . 15 GLY H . 53491 1 97 . 1 . 1 16 16 GLY C C 13 173.9943 0.0000 . 1 . . 24684 . . 15 GLY C . 53491 1 98 . 1 . 1 16 16 GLY CA C 13 44.8119 0.0000 . 1 . . 24681 . . 15 GLY CA . 53491 1 99 . 1 . 1 16 16 GLY N N 15 114.0853 0.0000 . 1 . . 19923 . . 15 GLY N . 53491 1 100 . 1 . 1 17 17 ALA H H 1 7.7114 0.0000 . 1 . . 13690 . . 16 ALA H . 53491 1 101 . 1 . 1 17 17 ALA C C 13 174.4974 0.0000 . 1 . . 22957 . . 16 ALA C . 53491 1 102 . 1 . 1 17 17 ALA CA C 13 50.8032 0.0000 . 1 . . 22952 . . 16 ALA CA . 53491 1 103 . 1 . 1 17 17 ALA CB C 13 19.1582 0.0000 . 1 . . 27492 . . 16 ALA CB . 53491 1 104 . 1 . 1 17 17 ALA N N 15 124.9139 0.0000 . 1 . . 13692 . . 16 ALA N . 53491 1 105 . 1 . 1 18 18 SER H H 1 7.6239 0.0000 . 1 . . 16696 . . 17 SER H . 53491 1 106 . 1 . 1 18 18 SER C C 13 172.8357 0.0000 . 1 . . 25272 . . 17 SER C . 53491 1 107 . 1 . 1 18 18 SER CA C 13 56.2712 0.0000 . 1 . . 25274 . . 17 SER CA . 53491 1 108 . 1 . 1 18 18 SER CB C 13 65.5300 0.0000 . 1 . . 25279 . . 17 SER CB . 53491 1 109 . 1 . 1 18 18 SER N N 15 110.6160 0.0000 . 1 . . 16698 . . 17 SER N . 53491 1 110 . 1 . 1 19 19 VAL H H 1 8.4322 0.0000 . 1 . . 12901 . . 18 VAL H . 53491 1 111 . 1 . 1 19 19 VAL HG11 H 1 0.7330 0.0000 . 2 . . . . . 18 VAL HG11 . 53491 1 112 . 1 . 1 19 19 VAL HG12 H 1 0.7330 0.0000 . 2 . . . . . 18 VAL HG11 . 53491 1 113 . 1 . 1 19 19 VAL HG13 H 1 0.7330 0.0000 . 2 . . . . . 18 VAL HG11 . 53491 1 114 . 1 . 1 19 19 VAL HG21 H 1 0.7990 0.0000 . 2 . . . . . 18 VAL HG21 . 53491 1 115 . 1 . 1 19 19 VAL HG22 H 1 0.7990 0.0000 . 2 . . . . . 18 VAL HG21 . 53491 1 116 . 1 . 1 19 19 VAL HG23 H 1 0.7990 0.0000 . 2 . . . . . 18 VAL HG21 . 53491 1 117 . 1 . 1 19 19 VAL C C 13 170.8439 0.0000 . 1 . . 23905 . . 18 VAL C . 53491 1 118 . 1 . 1 19 19 VAL CA C 13 59.0023 0.0000 . 1 . . 23906 . . 18 VAL CA . 53491 1 119 . 1 . 1 19 19 VAL CB C 13 34.2773 0.0000 . 1 . . 23912 . . 18 VAL CB . 53491 1 120 . 1 . 1 19 19 VAL CG1 C 13 19.9530 0.0000 . 2 . . . . . 18 VAL CG1 . 53491 1 121 . 1 . 1 19 19 VAL CG2 C 13 21.6290 0.0000 . 2 . . . . . 18 VAL CG2 . 53491 1 122 . 1 . 1 19 19 VAL N N 15 119.5964 0.0000 . 1 . . 12903 . . 18 VAL N . 53491 1 123 . 1 . 1 20 20 LYS H H 1 8.3932 0.0000 . 1 . . 15385 . . 19 LYS H . 53491 1 124 . 1 . 1 20 20 LYS C C 13 174.7445 0.0000 . 1 . . 22362 . . 19 LYS C . 53491 1 125 . 1 . 1 20 20 LYS CA C 13 54.9720 0.0000 . 1 . . 22366 . . 19 LYS CA . 53491 1 126 . 1 . 1 20 20 LYS CB C 13 33.1989 0.0000 . 1 . . 22367 . . 19 LYS CB . 53491 1 127 . 1 . 1 20 20 LYS N N 15 129.0389 0.0000 . 1 . . 15387 . . 19 LYS N . 53491 1 128 . 1 . 1 21 21 MET H H 1 8.8114 0.0000 . 1 . . 15505 . . 20 MET H . 53491 1 129 . 1 . 1 21 21 MET C C 13 174.7495 0.0000 . 1 . . 26632 . . 20 MET C . 53491 1 130 . 1 . 1 21 21 MET CA C 13 54.4093 0.0000 . 1 . . 22622 . . 20 MET CA . 53491 1 131 . 1 . 1 21 21 MET CB C 13 34.8625 0.0000 . 1 . . 22621 . . 20 MET CB . 53491 1 132 . 1 . 1 21 21 MET N N 15 126.8883 0.0000 . 1 . . 15507 . . 20 MET N . 53491 1 133 . 1 . 1 22 22 SER H H 1 7.4956 0.0000 . 1 . . 21157 . . 21 SER H . 53491 1 134 . 1 . 1 22 22 SER C C 13 174.0880 0.0000 . 1 . . 24923 . . 21 SER C . 53491 1 135 . 1 . 1 22 22 SER CA C 13 56.1872 0.0000 . 1 . . 24917 . . 21 SER CA . 53491 1 136 . 1 . 1 22 22 SER CB C 13 66.7972 0.0000 . 1 . . 24919 . . 21 SER CB . 53491 1 137 . 1 . 1 22 22 SER N N 15 113.4353 0.0000 . 1 . . 21159 . . 21 SER N . 53491 1 138 . 1 . 1 23 23 CYS H H 1 8.4451 0.0000 . 1 . . 12700 . . 22 CYS H . 53491 1 139 . 1 . 1 23 23 CYS C C 13 172.5331 0.0000 . 1 . . 29568 . . 22 CYS C . 53491 1 140 . 1 . 1 23 23 CYS CA C 13 55.5379 0.0000 . 1 . . 29591 . . 22 CYS CA . 53491 1 141 . 1 . 1 23 23 CYS CB C 13 45.1347 0.0000 . 1 . . 23381 . . 22 CYS CB . 53491 1 142 . 1 . 1 23 23 CYS N N 15 122.4597 0.0000 . 1 . . 12702 . . 22 CYS N . 53491 1 143 . 1 . 1 24 24 LYS H H 1 9.0087 0.0000 . 1 . . 13453 . . 23 LYS H . 53491 1 144 . 1 . 1 24 24 LYS C C 13 175.3166 0.0000 . 1 . . 22291 . . 23 LYS C . 53491 1 145 . 1 . 1 24 24 LYS CA C 13 55.4049 0.0000 . 1 . . 22286 . . 23 LYS CA . 53491 1 146 . 1 . 1 24 24 LYS CB C 13 33.4968 0.0000 . 1 . . 22293 . . 23 LYS CB . 53491 1 147 . 1 . 1 24 24 LYS N N 15 129.8524 0.0000 . 1 . . 13455 . . 23 LYS N . 53491 1 148 . 1 . 1 25 25 ALA H H 1 8.7096 0.0000 . 1 . . 17569 . . 24 ALA H . 53491 1 149 . 1 . 1 25 25 ALA C C 13 176.4110 0.0000 . 1 . . 22187 . . 24 ALA C . 53491 1 150 . 1 . 1 25 25 ALA CA C 13 51.0200 0.0000 . 1 . . 22189 . . 24 ALA CA . 53491 1 151 . 1 . 1 25 25 ALA CB C 13 21.3886 0.0000 . 1 . . 25753 . . 24 ALA CB . 53491 1 152 . 1 . 1 25 25 ALA N N 15 132.7610 0.0000 . 1 . . 17571 . . 24 ALA N . 53491 1 153 . 1 . 1 26 26 SER H H 1 8.6263 0.0000 . 1 . . 14284 . . 25 SER H . 53491 1 154 . 1 . 1 26 26 SER C C 13 174.3787 0.0000 . 1 . . 24572 . . 25 SER C . 53491 1 155 . 1 . 1 26 26 SER CA C 13 57.4148 0.0000 . 1 . . 24577 . . 25 SER CA . 53491 1 156 . 1 . 1 26 26 SER CB C 13 64.9769 0.0000 . 1 . . 24579 . . 25 SER CB . 53491 1 157 . 1 . 1 26 26 SER N N 15 114.9238 0.0000 . 1 . . 14286 . . 25 SER N . 53491 1 158 . 1 . 1 27 27 GLY H H 1 8.6277 0.0000 . 1 . . 16804 . . 26 GLY H . 53491 1 159 . 1 . 1 27 27 GLY C C 13 173.0167 0.0000 . 1 . . 25487 . . 26 GLY C . 53491 1 160 . 1 . 1 27 27 GLY CA C 13 45.4324 0.0000 . 1 . . 25495 . . 26 GLY CA . 53491 1 161 . 1 . 1 27 27 GLY N N 15 108.6273 0.0000 . 1 . . 16806 . . 26 GLY N . 53491 1 162 . 1 . 1 28 28 TYR H H 1 7.3320 0.0000 . 1 . . 13222 . . 27 TYR H . 53491 1 163 . 1 . 1 28 28 TYR C C 13 173.5393 0.0000 . 1 . . 24766 . . 27 TYR C . 53491 1 164 . 1 . 1 28 28 TYR CA C 13 55.0460 0.0000 . 1 . . 24773 . . 27 TYR CA . 53491 1 165 . 1 . 1 28 28 TYR CB C 13 38.7031 0.0000 . 1 . . 24772 . . 27 TYR CB . 53491 1 166 . 1 . 1 28 28 TYR N N 15 114.1691 0.0000 . 1 . . 13224 . . 27 TYR N . 53491 1 167 . 1 . 1 29 29 THR H H 1 8.9052 0.0000 . 1 . . 14101 . . 28 THR H . 53491 1 168 . 1 . 1 29 29 THR C C 13 174.6335 0.0000 . 1 . . 32128 . . 28 THR C . 53491 1 169 . 1 . 1 29 29 THR CA C 13 62.6674 0.0000 . 1 . . 24193 . . 28 THR CA . 53491 1 170 . 1 . 1 29 29 THR CB C 13 67.7344 0.0000 . 1 . . 24200 . . 28 THR CB . 53491 1 171 . 1 . 1 29 29 THR N N 15 118.0540 0.0000 . 1 . . 14103 . . 28 THR N . 53491 1 172 . 1 . 1 30 30 PHE H H 1 8.4340 0.0000 . 1 . . 12166 . . 29 PHE H . 53491 1 173 . 1 . 1 30 30 PHE C C 13 176.0543 0.0000 . 1 . . 22202 . . 29 PHE C . 53491 1 174 . 1 . 1 30 30 PHE CA C 13 59.7684 0.0000 . 1 . . 22208 . . 29 PHE CA . 53491 1 175 . 1 . 1 30 30 PHE CB C 13 39.6500 0.0000 . 1 . . 22210 . . 29 PHE CB . 53491 1 176 . 1 . 1 30 30 PHE N N 15 132.5893 0.0000 . 1 . . 12168 . . 29 PHE N . 53491 1 177 . 1 . 1 31 31 THR H H 1 7.5251 0.0000 . 1 . . 16840 . . 30 THR H . 53491 1 178 . 1 . 1 31 31 THR C C 13 174.3047 0.0000 . 1 . . 25622 . . 30 THR C . 53491 1 179 . 1 . 1 31 31 THR CA C 13 62.3725 0.0000 . 1 . . 25626 . . 30 THR CA . 53491 1 180 . 1 . 1 31 31 THR CB C 13 67.6737 0.0000 . 1 . . 25628 . . 30 THR CB . 53491 1 181 . 1 . 1 31 31 THR N N 15 101.8822 0.0000 . 1 . . 16842 . . 30 THR N . 53491 1 182 . 1 . 1 32 32 SER H H 1 7.6308 0.0000 . 1 . . 14377 . . 31 SER H . 53491 1 183 . 1 . 1 32 32 SER C C 13 172.8885 0.0000 . 1 . . 24945 . . 31 SER C . 53491 1 184 . 1 . 1 32 32 SER CA C 13 58.7766 0.0000 . 1 . . 24948 . . 31 SER CA . 53491 1 185 . 1 . 1 32 32 SER CB C 13 64.1620 0.0000 . 1 . . 36758 . . 31 SER CB . 53491 1 186 . 1 . 1 32 32 SER N N 15 113.4044 0.0000 . 1 . . 14379 . . 31 SER N . 53491 1 187 . 1 . 1 33 33 TYR H H 1 7.0002 0.0000 . 1 . . 14233 . . 32 TYR H . 53491 1 188 . 1 . 1 33 33 TYR C C 13 174.7362 0.0000 . 1 . . 24476 . . 32 TYR C . 53491 1 189 . 1 . 1 33 33 TYR CA C 13 56.3793 0.0000 . 1 . . 24482 . . 32 TYR CA . 53491 1 190 . 1 . 1 33 33 TYR CB C 13 41.8995 0.0000 . 1 . . 24480 . . 32 TYR CB . 53491 1 191 . 1 . 1 33 33 TYR N N 15 115.5531 0.0000 . 1 . . 14235 . . 32 TYR N . 53491 1 192 . 1 . 1 34 34 ASN H H 1 8.8462 0.0000 . 1 . . 16087 . . 33 ASN H . 53491 1 193 . 1 . 1 34 34 ASN C C 13 174.2045 0.0000 . 1 . . 23796 . . 33 ASN C . 53491 1 194 . 1 . 1 34 34 ASN CA C 13 53.3096 0.0000 . 1 . . 23804 . . 33 ASN CA . 53491 1 195 . 1 . 1 34 34 ASN CB C 13 39.1661 0.0000 . 1 . . 23803 . . 33 ASN CB . 53491 1 196 . 1 . 1 34 34 ASN N N 15 120.3622 0.0000 . 1 . . 16089 . . 33 ASN N . 53491 1 197 . 1 . 1 35 35 MET H H 1 8.6243 0.0000 . 1 . . 16000 . . 34 MET H . 53491 1 198 . 1 . 1 35 35 MET C C 13 173.8895 0.0000 . 1 . . 23628 . . 34 MET C . 53491 1 199 . 1 . 1 35 35 MET CA C 13 53.2758 0.0000 . 1 . . 23627 . . 34 MET CA . 53491 1 200 . 1 . 1 35 35 MET CB C 13 32.8061 0.0000 . 1 . . 23632 . . 34 MET CB . 53491 1 201 . 1 . 1 35 35 MET N N 15 121.3264 0.0000 . 1 . . 16002 . . 34 MET N . 53491 1 202 . 1 . 1 36 36 HIS H H 1 9.0385 0.0000 . 1 . . 13663 . . 35 HIS H . 53491 1 203 . 1 . 1 36 36 HIS C C 13 174.7322 0.0000 . 1 . . 22811 . . 35 HIS C . 53491 1 204 . 1 . 1 36 36 HIS CA C 13 54.9313 0.0000 . 1 . . 22814 . . 35 HIS CA . 53491 1 205 . 1 . 1 36 36 HIS CB C 13 35.0087 0.0000 . 1 . . 22815 . . 35 HIS CB . 53491 1 206 . 1 . 1 36 36 HIS N N 15 125.1128 0.0000 . 1 . . 13665 . . 35 HIS N . 53491 1 207 . 1 . 1 37 37 TRP H H 1 8.1823 0.0000 . 1 . . 12958 . . 36 TRP H . 53491 1 208 . 1 . 1 37 37 TRP C C 13 175.3849 0.0000 . 1 . . 24067 . . 36 TRP C . 53491 1 209 . 1 . 1 37 37 TRP CA C 13 55.1721 0.0000 . 1 . . 24075 . . 36 TRP CA . 53491 1 210 . 1 . 1 37 37 TRP CB C 13 31.9113 0.0000 . 1 . . 24072 . . 36 TRP CB . 53491 1 211 . 1 . 1 37 37 TRP N N 15 118.3602 0.0000 . 1 . . 12960 . . 36 TRP N . 53491 1 212 . 1 . 1 38 38 VAL H H 1 9.2195 0.0000 . 1 . . 13780 . . 37 VAL H . 53491 1 213 . 1 . 1 38 38 VAL HG11 H 1 0.5190 0.0000 . 2 . . . . . 37 VAL HG11 . 53491 1 214 . 1 . 1 38 38 VAL HG12 H 1 0.5190 0.0000 . 2 . . . . . 37 VAL HG11 . 53491 1 215 . 1 . 1 38 38 VAL HG13 H 1 0.5190 0.0000 . 2 . . . . . 37 VAL HG11 . 53491 1 216 . 1 . 1 38 38 VAL HG21 H 1 0.6990 0.0000 . 2 . . . . . 37 VAL HG21 . 53491 1 217 . 1 . 1 38 38 VAL HG22 H 1 0.6990 0.0000 . 2 . . . . . 37 VAL HG21 . 53491 1 218 . 1 . 1 38 38 VAL HG23 H 1 0.6990 0.0000 . 2 . . . . . 37 VAL HG21 . 53491 1 219 . 1 . 1 38 38 VAL C C 13 173.2983 0.0000 . 1 . . 23190 . . 37 VAL C . 53491 1 220 . 1 . 1 38 38 VAL CA C 13 60.3063 0.0000 . 1 . . 23193 . . 37 VAL CA . 53491 1 221 . 1 . 1 38 38 VAL CB C 13 36.7437 0.0000 . 1 . . 23194 . . 37 VAL CB . 53491 1 222 . 1 . 1 38 38 VAL CG1 C 13 20.4370 0.0000 . 2 . . . . . 37 VAL CG1 . 53491 1 223 . 1 . 1 38 38 VAL CG2 C 13 21.9880 0.0000 . 2 . . . . . 37 VAL CG2 . 53491 1 224 . 1 . 1 38 38 VAL N N 15 123.3986 0.0000 . 1 . . 13782 . . 37 VAL N . 53491 1 225 . 1 . 1 39 39 LYS H H 1 9.3752 0.0000 . 1 . . 13477 . . 38 LYS H . 53491 1 226 . 1 . 1 39 39 LYS C C 13 174.5239 0.0000 . 1 . . 22336 . . 38 LYS C . 53491 1 227 . 1 . 1 39 39 LYS CA C 13 54.2802 0.0000 . 1 . . 22337 . . 38 LYS CA . 53491 1 228 . 1 . 1 39 39 LYS CB C 13 35.7440 0.0000 . 1 . . 22342 . . 38 LYS CB . 53491 1 229 . 1 . 1 39 39 LYS N N 15 128.9133 0.0000 . 1 . . 13479 . . 38 LYS N . 53491 1 230 . 1 . 1 40 40 GLN H H 1 9.3579 0.0000 . 1 . . 17881 . . 39 GLN H . 53491 1 231 . 1 . 1 40 40 GLN C C 13 174.9876 0.0000 . 1 . . 22633 . . 39 GLN C . 53491 1 232 . 1 . 1 40 40 GLN CA C 13 54.5365 0.0000 . 1 . . 22632 . . 39 GLN CA . 53491 1 233 . 1 . 1 40 40 GLN CB C 13 31.2014 0.0000 . 1 . . 22637 . . 39 GLN CB . 53491 1 234 . 1 . 1 40 40 GLN N N 15 126.8752 0.0000 . 1 . . 17883 . . 39 GLN N . 53491 1 235 . 1 . 1 41 41 THR H H 1 8.2344 0.0000 . 1 . . 12724 . . 40 THR H . 53491 1 236 . 1 . 1 41 41 THR C C 13 173.7508 0.0000 . 1 . . 23382 . . 40 THR C . 53491 1 237 . 1 . 1 41 41 THR CA C 13 59.0770 0.0000 . 1 . . 23385 . . 40 THR CA . 53491 1 238 . 1 . 1 41 41 THR CB C 13 70.0093 0.0000 . 1 . . 23390 . . 40 THR CB . 53491 1 239 . 1 . 1 41 41 THR N N 15 122.1453 0.0000 . 1 . . 12726 . . 40 THR N . 53491 1 240 . 1 . 1 42 42 PRO C C 13 178.3640 0.0000 . 1 . . 25465 . . 41 PRO C . 53491 1 241 . 1 . 1 42 42 PRO CA C 13 64.4485 0.0000 . 1 . . 25461 . . 41 PRO CA . 53491 1 242 . 1 . 1 42 42 PRO CB C 13 30.9525 0.0000 . 1 . . 25461 . . 41 PRO CB . 53491 1 243 . 1 . 1 43 43 GLY H H 1 8.5438 0.0000 . 1 . . 20497 . . 42 GLY H . 53491 1 244 . 1 . 1 43 43 GLY C C 13 174.8634 0.0000 . 1 . . 25463 . . 42 GLY C . 53491 1 245 . 1 . 1 43 43 GLY CA C 13 45.6853 0.0000 . 1 . . 25460 . . 42 GLY CA . 53491 1 246 . 1 . 1 43 43 GLY N N 15 108.8259 0.0000 . 1 . . 20499 . . 42 GLY N . 53491 1 247 . 1 . 1 44 44 ARG H H 1 7.8086 0.0000 . 1 . . 19225 . . 43 ARG H . 53491 1 248 . 1 . 1 44 44 ARG C C 13 176.3323 0.0000 . 1 . . 23997 . . 43 ARG C . 53491 1 249 . 1 . 1 44 44 ARG CA C 13 55.1623 0.0000 . 1 . . 24001 . . 43 ARG CA . 53491 1 250 . 1 . 1 44 44 ARG CB C 13 30.6143 0.0000 . 1 . . 23999 . . 43 ARG CB . 53491 1 251 . 1 . 1 44 44 ARG N N 15 119.0135 0.0000 . 1 . . 19227 . . 43 ARG N . 53491 1 252 . 1 . 1 45 45 GLY H H 1 7.9334 0.0000 . 1 . . 20470 . . 44 GLY H . 53491 1 253 . 1 . 1 45 45 GLY C C 13 173.6702 0.0000 . 1 . . 25439 . . 44 GLY C . 53491 1 254 . 1 . 1 45 45 GLY CA C 13 44.9692 0.0000 . 1 . . 25443 . . 44 GLY CA . 53491 1 255 . 1 . 1 45 45 GLY N N 15 109.0295 0.0000 . 1 . . 20472 . . 44 GLY N . 53491 1 256 . 1 . 1 46 46 LEU H H 1 8.3272 0.0000 . 1 . . 12598 . . 45 LEU H . 53491 1 257 . 1 . 1 46 46 LEU HD11 H 1 0.0700 0.0000 . 2 . . . . . 45 LEU HD11 . 53491 1 258 . 1 . 1 46 46 LEU HD12 H 1 0.0700 0.0000 . 2 . . . . . 45 LEU HD11 . 53491 1 259 . 1 . 1 46 46 LEU HD13 H 1 0.0700 0.0000 . 2 . . . . . 45 LEU HD11 . 53491 1 260 . 1 . 1 46 46 LEU HD21 H 1 -0.6030 0.0000 . 2 . . . . . 45 LEU HD21 . 53491 1 261 . 1 . 1 46 46 LEU HD22 H 1 -0.6030 0.0000 . 2 . . . . . 45 LEU HD21 . 53491 1 262 . 1 . 1 46 46 LEU HD23 H 1 -0.6030 0.0000 . 2 . . . . . 45 LEU HD21 . 53491 1 263 . 1 . 1 46 46 LEU C C 13 176.5764 0.0000 . 1 . . 23134 . . 45 LEU C . 53491 1 264 . 1 . 1 46 46 LEU CA C 13 53.9654 0.0000 . 1 . . 23139 . . 45 LEU CA . 53491 1 265 . 1 . 1 46 46 LEU CB C 13 42.4695 0.0000 . 1 . . 23141 . . 45 LEU CB . 53491 1 266 . 1 . 1 46 46 LEU CD1 C 13 24.4680 0.0000 . 2 . . . . . 45 LEU CD1 . 53491 1 267 . 1 . 1 46 46 LEU CD2 C 13 24.0560 0.0000 . 2 . . . . . 45 LEU CD2 . 53491 1 268 . 1 . 1 46 46 LEU N N 15 123.5695 0.0000 . 1 . . 12600 . . 45 LEU N . 53491 1 269 . 1 . 1 47 47 GLU H H 1 9.0662 0.0000 . 1 . . 12823 . . 46 GLU H . 53491 1 270 . 1 . 1 47 47 GLU C C 13 174.2529 0.0000 . 1 . . 23707 . . 46 GLU C . 53491 1 271 . 1 . 1 47 47 GLU CA C 13 55.0549 0.0000 . 1 . . 23715 . . 46 GLU CA . 53491 1 272 . 1 . 1 47 47 GLU CB C 13 34.1144 0.0000 . 1 . . 23713 . . 46 GLU CB . 53491 1 273 . 1 . 1 47 47 GLU N N 15 120.5008 0.0000 . 1 . . 12825 . . 46 GLU N . 53491 1 274 . 1 . 1 48 48 TRP H H 1 9.6389 0.0000 . 1 . . 12289 . . 47 TRP H . 53491 1 275 . 1 . 1 48 48 TRP C C 13 174.4448 0.0000 . 1 . . 22451 . . 47 TRP C . 53491 1 276 . 1 . 1 48 48 TRP CA C 13 58.8586 0.0000 . 1 . . 22457 . . 47 TRP CA . 53491 1 277 . 1 . 1 48 48 TRP CB C 13 29.6684 0.0000 . 1 . . 22459 . . 47 TRP CB . 53491 1 278 . 1 . 1 48 48 TRP N N 15 127.9226 0.0000 . 1 . . 12291 . . 47 TRP N . 53491 1 279 . 1 . 1 49 49 ILE H H 1 8.6953 0.0000 . 1 . . 13495 . . 48 ILE H . 53491 1 280 . 1 . 1 49 49 ILE HD11 H 1 0.5710 0.0000 . 1 . . . . . 48 ILE HD11 . 53491 1 281 . 1 . 1 49 49 ILE HD12 H 1 0.5710 0.0000 . 1 . . . . . 48 ILE HD11 . 53491 1 282 . 1 . 1 49 49 ILE HD13 H 1 0.5710 0.0000 . 1 . . . . . 48 ILE HD11 . 53491 1 283 . 1 . 1 49 49 ILE C C 13 174.8314 0.0000 . 1 . . 22385 . . 48 ILE C . 53491 1 284 . 1 . 1 49 49 ILE CA C 13 62.8315 0.0000 . 1 . . 22383 . . 48 ILE CA . 53491 1 285 . 1 . 1 49 49 ILE CB C 13 38.1820 0.0000 . 1 . . 22391 . . 48 ILE CB . 53491 1 286 . 1 . 1 49 49 ILE CD1 C 13 14.5260 0.0000 . 1 . . . . . 48 ILE CD1 . 53491 1 287 . 1 . 1 49 49 ILE N N 15 128.8168 0.0000 . 1 . . 13497 . . 48 ILE N . 53491 1 288 . 1 . 1 50 50 GLY H H 1 5.9423 0.0000 . 1 . . 13405 . . 49 GLY H . 53491 1 289 . 1 . 1 50 50 GLY C C 13 169.2218 0.0000 . 1 . . 25615 . . 49 GLY C . 53491 1 290 . 1 . 1 50 50 GLY CA C 13 45.0489 0.0000 . 1 . . 25616 . . 49 GLY CA . 53491 1 291 . 1 . 1 50 50 GLY N N 15 102.5886 0.0000 . 1 . . 13407 . . 49 GLY N . 53491 1 292 . 1 . 1 51 51 ALA H H 1 8.4087 0.0000 . 1 . . 16132 . . 50 ALA H . 53491 1 293 . 1 . 1 51 51 ALA C C 13 175.4353 0.0000 . 1 . . 23940 . . 50 ALA C . 53491 1 294 . 1 . 1 51 51 ALA CA C 13 49.8645 0.0000 . 1 . . 23945 . . 50 ALA CA . 53491 1 295 . 1 . 1 51 51 ALA CB C 13 23.1984 0.0000 . 1 . . 31257 . . 50 ALA CB . 53491 1 296 . 1 . 1 51 51 ALA N N 15 119.4674 0.0000 . 1 . . 16134 . . 50 ALA N . 53491 1 297 . 1 . 1 52 52 ILE H H 1 8.6591 0.0000 . 1 . . 14218 . . 51 ILE H . 53491 1 298 . 1 . 1 52 52 ILE HD11 H 1 0.6290 0.0000 . 1 . . . . . 51 ILE HD11 . 53491 1 299 . 1 . 1 52 52 ILE HD12 H 1 0.6290 0.0000 . 1 . . . . . 51 ILE HD11 . 53491 1 300 . 1 . 1 52 52 ILE HD13 H 1 0.6290 0.0000 . 1 . . . . . 51 ILE HD11 . 53491 1 301 . 1 . 1 52 52 ILE C C 13 172.0419 0.0000 . 1 . . 24398 . . 51 ILE C . 53491 1 302 . 1 . 1 52 52 ILE CA C 13 57.0322 0.0000 . 1 . . 24403 . . 51 ILE CA . 53491 1 303 . 1 . 1 52 52 ILE CB C 13 41.4368 0.0000 . 1 . . 24407 . . 51 ILE CB . 53491 1 304 . 1 . 1 52 52 ILE CD1 C 13 14.1190 0.0000 . 1 . . . . . 51 ILE CD1 . 53491 1 305 . 1 . 1 52 52 ILE N N 15 116.1041 0.0000 . 1 . . 14220 . . 51 ILE N . 53491 1 306 . 1 . 1 53 53 TYR H H 1 8.6408 0.0000 . 1 . . 12238 . . 52 TYR H . 53491 1 307 . 1 . 1 53 53 TYR C C 13 175.0334 0.0000 . 1 . . 25870 . . 52 TYR C . 53491 1 308 . 1 . 1 53 53 TYR CA C 13 52.9122 0.0000 . 1 . . 25891 . . 52 TYR CA . 53491 1 309 . 1 . 1 53 53 TYR CB C 13 36.8978 0.0000 . 1 . . 22352 . . 52 TYR CB . 53491 1 310 . 1 . 1 53 53 TYR N N 15 128.9291 0.0000 . 1 . . 12240 . . 52 TYR N . 53491 1 311 . 1 . 1 55 55 GLY C C 13 173.5916 0.0000 . 1 . . 24751 . . 54 GLY C . 53491 1 312 . 1 . 1 55 55 GLY CA C 13 47.2381 0.0000 . 1 . . 24750 . . 54 GLY CA . 53491 1 313 . 1 . 1 56 56 ASN H H 1 6.7195 0.0000 . 1 . . 13240 . . 55 ASN H . 53491 1 314 . 1 . 1 56 56 ASN C C 13 176.5064 0.0000 . 1 . . 24747 . . 55 ASN C . 53491 1 315 . 1 . 1 56 56 ASN CA C 13 52.0294 0.0000 . 1 . . 24754 . . 55 ASN CA . 53491 1 316 . 1 . 1 56 56 ASN CB C 13 39.1745 0.0000 . 1 . . 24753 . . 55 ASN CB . 53491 1 317 . 1 . 1 56 56 ASN N N 15 113.9859 0.0000 . 1 . . 13242 . . 55 ASN N . 53491 1 318 . 1 . 1 57 57 GLY H H 1 8.4460 0.0000 . 1 . . 16759 . . 56 GLY H . 53491 1 319 . 1 . 1 57 57 GLY C C 13 174.0731 0.0000 . 1 . . 23330 . . 56 GLY C . 53491 1 320 . 1 . 1 57 57 GLY CA C 13 45.2208 0.0000 . 1 . . 23331 . . 56 GLY CA . 53491 1 321 . 1 . 1 57 57 GLY N N 15 109.6227 0.0000 . 1 . . 16761 . . 56 GLY N . 53491 1 322 . 1 . 1 58 58 ASP H H 1 8.4211 0.0000 . 1 . . 20830 . . 57 ASP H . 53491 1 323 . 1 . 1 58 58 ASP C C 13 176.2270 0.0000 . 1 . . 29007 . . 57 ASP C . 53491 1 324 . 1 . 1 58 58 ASP CA C 13 55.5354 0.0000 . 1 . . 29105 . . 57 ASP CA . 53491 1 325 . 1 . 1 58 58 ASP CB C 13 40.5700 0.0000 . 1 . . 29108 . . 57 ASP CB . 53491 1 326 . 1 . 1 58 58 ASP N N 15 122.7829 0.0000 . 1 . . 20832 . . 57 ASP N . 53491 1 327 . 1 . 1 59 59 THR H H 1 8.1295 0.0000 . 1 . . 13267 . . 58 THR H . 53491 1 328 . 1 . 1 59 59 THR C C 13 174.4512 0.0000 . 1 . . 24903 . . 58 THR C . 53491 1 329 . 1 . 1 59 59 THR CA C 13 59.0327 0.0000 . 1 . . 24911 . . 58 THR CA . 53491 1 330 . 1 . 1 59 59 THR CB C 13 72.5653 0.0000 . 1 . . 24909 . . 58 THR CB . 53491 1 331 . 1 . 1 59 59 THR N N 15 113.2809 0.0000 . 1 . . 13269 . . 58 THR N . 53491 1 332 . 1 . 1 60 60 SER H H 1 8.3501 0.0000 . 1 . . 19603 . . 59 SER H . 53491 1 333 . 1 . 1 60 60 SER C C 13 172.2523 0.0000 . 1 . . 24361 . . 59 SER C . 53491 1 334 . 1 . 1 60 60 SER CA C 13 57.0246 0.0000 . 1 . . 24363 . . 59 SER CA . 53491 1 335 . 1 . 1 60 60 SER CB C 13 65.2481 0.0000 . 1 . . 24369 . . 59 SER CB . 53491 1 336 . 1 . 1 60 60 SER N N 15 116.5257 0.0000 . 1 . . 19605 . . 59 SER N . 53491 1 337 . 1 . 1 61 61 TYR H H 1 8.5966 0.0000 . 1 . . 12943 . . 60 TYR H . 53491 1 338 . 1 . 1 61 61 TYR C C 13 176.9219 0.0000 . 1 . . 24076 . . 60 TYR C . 53491 1 339 . 1 . 1 61 61 TYR CA C 13 57.1695 0.0000 . 1 . . 31991 . . 60 TYR CA . 53491 1 340 . 1 . 1 61 61 TYR CB C 13 41.6764 0.0000 . 1 . . 24085 . . 60 TYR CB . 53491 1 341 . 1 . 1 61 61 TYR N N 15 118.3557 0.0000 . 1 . . 12945 . . 60 TYR N . 53491 1 342 . 1 . 1 62 62 ASN H H 1 8.6442 0.0000 . 1 . . 15769 . . 61 ASN H . 53491 1 343 . 1 . 1 62 62 ASN C C 13 178.0566 0.0000 . 1 . . 23163 . . 61 ASN C . 53491 1 344 . 1 . 1 62 62 ASN CA C 13 52.7681 0.0000 . 1 . . 23169 . . 61 ASN CA . 53491 1 345 . 1 . 1 62 62 ASN CB C 13 38.5149 0.0000 . 1 . . 23170 . . 61 ASN CB . 53491 1 346 . 1 . 1 62 62 ASN N N 15 123.4863 0.0000 . 1 . . 15771 . . 61 ASN N . 53491 1 347 . 1 . 1 63 63 GLN H H 1 9.6614 0.0000 . 1 . . 13444 . . 62 GLN H . 53491 1 348 . 1 . 1 63 63 GLN C C 13 177.6010 0.0000 . 1 . . 22253 . . 62 GLN C . 53491 1 349 . 1 . 1 63 63 GLN CA C 13 59.2530 0.0000 . 1 . . 22256 . . 62 GLN CA . 53491 1 350 . 1 . 1 63 63 GLN CB C 13 27.5951 0.0000 . 1 . . 22257 . . 62 GLN CB . 53491 1 351 . 1 . 1 63 63 GLN N N 15 131.0003 0.0000 . 1 . . 13446 . . 62 GLN N . 53491 1 352 . 1 . 1 64 64 LYS H H 1 8.0866 0.0000 . 1 . . 16315 . . 63 LYS H . 53491 1 353 . 1 . 1 64 64 LYS C C 13 176.8068 0.0000 . 1 . . 24324 . . 63 LYS C . 53491 1 354 . 1 . 1 64 64 LYS CA C 13 57.9175 0.0000 . 1 . . 24323 . . 63 LYS CA . 53491 1 355 . 1 . 1 64 64 LYS CB C 13 31.6832 0.0000 . 1 . . 24331 . . 63 LYS CB . 53491 1 356 . 1 . 1 64 64 LYS N N 15 116.5886 0.0000 . 1 . . 16317 . . 63 LYS N . 53491 1 357 . 1 . 1 65 65 PHE H H 1 8.1245 0.0000 . 1 . . 13228 . . 64 PHE H . 53491 1 358 . 1 . 1 65 65 PHE C C 13 175.3396 0.0000 . 1 . . 24692 . . 64 PHE C . 53491 1 359 . 1 . 1 65 65 PHE CA C 13 58.1086 0.0000 . 1 . . 24698 . . 64 PHE CA . 53491 1 360 . 1 . 1 65 65 PHE CB C 13 40.1488 0.0000 . 1 . . 24696 . . 64 PHE CB . 53491 1 361 . 1 . 1 65 65 PHE N N 15 114.1663 0.0000 . 1 . . 13230 . . 64 PHE N . 53491 1 362 . 1 . 1 66 66 LYS H H 1 7.3167 0.0000 . 1 . . 18307 . . 65 LYS H . 53491 1 363 . 1 . 1 66 66 LYS C C 13 177.3870 0.0000 . 1 . . 23051 . . 65 LYS C . 53491 1 364 . 1 . 1 66 66 LYS CA C 13 58.1252 0.0000 . 1 . . 27850 . . 65 LYS CA . 53491 1 365 . 1 . 1 66 66 LYS CB C 13 31.0662 0.0000 . 1 . . 23056 . . 65 LYS CB . 53491 1 366 . 1 . 1 66 66 LYS N N 15 124.0479 0.0000 . 1 . . 18309 . . 65 LYS N . 53491 1 367 . 1 . 1 67 67 GLY H H 1 8.8565 0.0000 . 1 . . 19717 . . 66 GLY H . 53491 1 368 . 1 . 1 67 67 GLY C C 13 173.4548 0.0000 . 1 . . 24522 . . 66 GLY C . 53491 1 369 . 1 . 1 67 67 GLY CA C 13 45.2161 0.0000 . 1 . . 24530 . . 66 GLY CA . 53491 1 370 . 1 . 1 67 67 GLY N N 15 115.3218 0.0000 . 1 . . 19719 . . 66 GLY N . 53491 1 371 . 1 . 1 68 68 LYS H H 1 7.4509 0.0000 . 1 . . 12772 . . 67 LYS H . 53491 1 372 . 1 . 1 68 68 LYS C C 13 175.0082 0.0000 . 1 . . 23553 . . 67 LYS C . 53491 1 373 . 1 . 1 68 68 LYS CA C 13 55.8462 0.0000 . 1 . . 23559 . . 67 LYS CA . 53491 1 374 . 1 . 1 68 68 LYS CB C 13 32.5159 0.0000 . 1 . . 23558 . . 67 LYS CB . 53491 1 375 . 1 . 1 68 68 LYS N N 15 121.4184 0.0000 . 1 . . 12774 . . 67 LYS N . 53491 1 376 . 1 . 1 69 69 ALA H H 1 7.7759 0.0000 . 1 . . 21346 . . 68 ALA H . 53491 1 377 . 1 . 1 69 69 ALA C C 13 175.7933 0.0000 . 1 . . 25709 . . 68 ALA C . 53491 1 378 . 1 . 1 69 69 ALA CA C 13 49.3907 0.0000 . 1 . . 25710 . . 68 ALA CA . 53491 1 379 . 1 . 1 69 69 ALA CB C 13 21.3465 0.0000 . 1 . . 46965 . . 68 ALA CB . 53491 1 380 . 1 . 1 69 69 ALA N N 15 120.5214 0.0000 . 1 . . 21348 . . 68 ALA N . 53491 1 381 . 1 . 1 70 70 THR H H 1 8.5805 0.0000 . 1 . . 20065 . . 69 THR H . 53491 1 382 . 1 . 1 70 70 THR C C 13 174.4225 0.0000 . 1 . . 24641 . . 69 THR C . 53491 1 383 . 1 . 1 70 70 THR CA C 13 61.6568 0.0000 . 1 . . 33600 . . 69 THR CA . 53491 1 384 . 1 . 1 70 70 THR CB C 13 70.7953 0.0000 . 1 . . 33666 . . 69 THR CB . 53491 1 385 . 1 . 1 70 70 THR N N 15 114.4301 0.0000 . 1 . . 20067 . . 69 THR N . 53491 1 386 . 1 . 1 71 71 LEU H H 1 8.6558 0.0000 . 1 . . 15334 . . 70 LEU H . 53491 1 387 . 1 . 1 71 71 LEU HD11 H 1 0.3560 0.0000 . 2 . . . . . 70 LEU HD11 . 53491 1 388 . 1 . 1 71 71 LEU HD12 H 1 0.3560 0.0000 . 2 . . . . . 70 LEU HD11 . 53491 1 389 . 1 . 1 71 71 LEU HD13 H 1 0.3560 0.0000 . 2 . . . . . 70 LEU HD11 . 53491 1 390 . 1 . 1 71 71 LEU HD21 H 1 0.3130 0.0000 . 2 . . . . . 70 LEU HD21 . 53491 1 391 . 1 . 1 71 71 LEU HD22 H 1 0.3130 0.0000 . 2 . . . . . 70 LEU HD21 . 53491 1 392 . 1 . 1 71 71 LEU HD23 H 1 0.3130 0.0000 . 2 . . . . . 70 LEU HD21 . 53491 1 393 . 1 . 1 71 71 LEU C C 13 175.0725 0.0000 . 1 . . 22239 . . 70 LEU C . 53491 1 394 . 1 . 1 71 71 LEU CA C 13 53.6187 0.0000 . 1 . . 22242 . . 70 LEU CA . 53491 1 395 . 1 . 1 71 71 LEU CB C 13 41.2927 0.0000 . 1 . . 22249 . . 70 LEU CB . 53491 1 396 . 1 . 1 71 71 LEU CD1 C 13 24.5720 0.0000 . 2 . . . . . 70 LEU CD1 . 53491 1 397 . 1 . 1 71 71 LEU CD2 C 13 23.0590 0.0000 . 2 . . . . . 70 LEU CD2 . 53491 1 398 . 1 . 1 71 71 LEU N N 15 131.5219 0.0000 . 1 . . 15336 . . 70 LEU N . 53491 1 399 . 1 . 1 72 72 THR H H 1 8.3052 0.0000 . 1 . . 20326 . . 71 THR H . 53491 1 400 . 1 . 1 72 72 THR C C 13 174.5258 0.0000 . 1 . . 25250 . . 71 THR C . 53491 1 401 . 1 . 1 72 72 THR CA C 13 60.1056 0.0000 . 1 . . 25255 . . 71 THR CA . 53491 1 402 . 1 . 1 72 72 THR CB C 13 73.4054 0.0000 . 1 . . 25254 . . 71 THR CB . 53491 1 403 . 1 . 1 72 72 THR N N 15 110.9811 0.0000 . 1 . . 20328 . . 71 THR N . 53491 1 404 . 1 . 1 73 73 ALA H H 1 8.8990 0.0000 . 1 . . 18901 . . 72 ALA H . 53491 1 405 . 1 . 1 73 73 ALA C C 13 174.5725 0.0000 . 1 . . 30148 . . 72 ALA C . 53491 1 406 . 1 . 1 73 73 ALA CA C 13 52.0152 0.0000 . 1 . . 23650 . . 72 ALA CA . 53491 1 407 . 1 . 1 73 73 ALA CB C 13 20.4682 0.0000 . 1 . . 23651 . . 72 ALA CB . 53491 1 408 . 1 . 1 73 73 ALA N N 15 121.0404 0.0000 . 1 . . 18903 . . 72 ALA N . 53491 1 409 . 1 . 1 74 74 ASP H H 1 9.1469 0.0000 . 1 . . 18841 . . 73 ASP H . 53491 1 410 . 1 . 1 74 74 ASP C C 13 176.4394 0.0000 . 1 . . 23504 . . 73 ASP C . 53491 1 411 . 1 . 1 74 74 ASP CA C 13 52.2411 0.0000 . 1 . . 23503 . . 73 ASP CA . 53491 1 412 . 1 . 1 74 74 ASP CB C 13 42.3428 0.0000 . 1 . . 23511 . . 73 ASP CB . 53491 1 413 . 1 . 1 74 74 ASP N N 15 121.4125 0.0000 . 1 . . 18843 . . 73 ASP N . 53491 1 414 . 1 . 1 75 75 LYS H H 1 9.0511 0.0000 . 1 . . 13675 . . 74 LYS H . 53491 1 415 . 1 . 1 75 75 LYS C C 13 178.7353 0.0000 . 1 . . 22902 . . 74 LYS C . 53491 1 416 . 1 . 1 75 75 LYS CA C 13 59.6345 0.0000 . 1 . . 22901 . . 74 LYS CA . 53491 1 417 . 1 . 1 75 75 LYS CB C 13 31.1844 0.0000 . 1 . . 22910 . . 74 LYS CB . 53491 1 418 . 1 . 1 75 75 LYS N N 15 125.0236 0.0000 . 1 . . 13677 . . 74 LYS N . 53491 1 419 . 1 . 1 76 76 SER H H 1 8.5077 0.0000 . 1 . . 14200 . . 75 SER H . 53491 1 420 . 1 . 1 76 76 SER C C 13 175.1822 0.0000 . 1 . . 24376 . . 75 SER C . 53491 1 421 . 1 . 1 76 76 SER CA C 13 60.9636 0.0000 . 1 . . 24372 . . 75 SER CA . 53491 1 422 . 1 . 1 76 76 SER CB C 13 62.1757 0.0000 . 1 . . 24379 . . 75 SER CB . 53491 1 423 . 1 . 1 76 76 SER N N 15 116.2348 0.0000 . 1 . . 14202 . . 75 SER N . 53491 1 424 . 1 . 1 77 77 SER H H 1 7.2525 0.0000 . 1 . . 13252 . . 76 SER H . 53491 1 425 . 1 . 1 77 77 SER C C 13 175.1154 0.0000 . 1 . . 24840 . . 76 SER C . 53491 1 426 . 1 . 1 77 77 SER CA C 13 56.9256 0.0000 . 1 . . 35447 . . 76 SER CA . 53491 1 427 . 1 . 1 77 77 SER CB C 13 64.2899 0.0000 . 1 . . 35444 . . 76 SER CB . 53491 1 428 . 1 . 1 77 77 SER N N 15 113.6677 0.0000 . 1 . . 13254 . . 76 SER N . 53491 1 429 . 1 . 1 78 78 SER H H 1 7.4023 0.0000 . 1 . . 12952 . . 77 SER H . 53491 1 430 . 1 . 1 78 78 SER C C 13 171.4837 0.0000 . 1 . . 24028 . . 77 SER C . 53491 1 431 . 1 . 1 78 78 SER CA C 13 57.4753 0.0000 . 1 . . 24035 . . 77 SER CA . 53491 1 432 . 1 . 1 78 78 SER CB C 13 61.4486 0.0000 . 1 . . 24034 . . 77 SER CB . 53491 1 433 . 1 . 1 78 78 SER N N 15 118.3229 0.0000 . 1 . . 12954 . . 77 SER N . 53491 1 434 . 1 . 1 79 79 THR H H 1 6.9730 0.0000 . 1 . . 14446 . . 78 THR H . 53491 1 435 . 1 . 1 79 79 THR C C 13 171.8518 0.0000 . 1 . . 25211 . . 78 THR C . 53491 1 436 . 1 . 1 79 79 THR CA C 13 60.8122 0.0000 . 1 . . 25210 . . 78 THR CA . 53491 1 437 . 1 . 1 79 79 THR CB C 13 70.4438 0.0000 . 1 . . 25218 . . 78 THR CB . 53491 1 438 . 1 . 1 79 79 THR N N 15 111.2221 0.0000 . 1 . . 14448 . . 78 THR N . 53491 1 439 . 1 . 1 80 80 ALA H H 1 8.8739 0.0000 . 1 . . 12214 . . 79 ALA H . 53491 1 440 . 1 . 1 80 80 ALA C C 13 174.4882 0.0000 . 1 . . 22326 . . 79 ALA C . 53491 1 441 . 1 . 1 80 80 ALA CA C 13 49.4295 0.0000 . 1 . . 22330 . . 79 ALA CA . 53491 1 442 . 1 . 1 80 80 ALA CB C 13 20.6027 0.0000 . 1 . . 25832 . . 79 ALA CB . 53491 1 443 . 1 . 1 80 80 ALA N N 15 129.6381 0.0000 . 1 . . 12216 . . 79 ALA N . 53491 1 444 . 1 . 1 81 81 TYR H H 1 8.8657 0.0000 . 1 . . 16213 . . 80 TYR H . 53491 1 445 . 1 . 1 81 81 TYR C C 13 175.8288 0.0000 . 1 . . 24168 . . 80 TYR C . 53491 1 446 . 1 . 1 81 81 TYR CA C 13 56.2294 0.0000 . 1 . . 24173 . . 80 TYR CA . 53491 1 447 . 1 . 1 81 81 TYR CB C 13 41.3296 0.0000 . 1 . . 24174 . . 80 TYR CB . 53491 1 448 . 1 . 1 81 81 TYR N N 15 118.2227 0.0000 . 1 . . 16215 . . 80 TYR N . 53491 1 449 . 1 . 1 82 82 MET H H 1 8.2715 0.0000 . 1 . . 15829 . . 81 MET H . 53491 1 450 . 1 . 1 82 82 MET C C 13 173.3945 0.0000 . 1 . . 23247 . . 81 MET C . 53491 1 451 . 1 . 1 82 82 MET CA C 13 54.2421 0.0000 . 1 . . 23245 . . 81 MET CA . 53491 1 452 . 1 . 1 82 82 MET CB C 13 32.2340 0.0000 . 1 . . 23252 . . 81 MET CB . 53491 1 453 . 1 . 1 82 82 MET N N 15 123.1561 0.0000 . 1 . . 15831 . . 81 MET N . 53491 1 454 . 1 . 1 83 83 GLN H H 1 8.6650 0.0000 . 1 . . 13516 . . 82 GLN H . 53491 1 455 . 1 . 1 83 83 GLN C C 13 175.1091 0.0000 . 1 . . 22409 . . 82 GLN C . 53491 1 456 . 1 . 1 83 83 GLN CA C 13 52.6064 0.0000 . 1 . . 22414 . . 82 GLN CA . 53491 1 457 . 1 . 1 83 83 GLN CB C 13 30.5547 0.0000 . 1 . . 22415 . . 82 GLN CB . 53491 1 458 . 1 . 1 83 83 GLN N N 15 128.7751 0.0000 . 1 . . 13518 . . 82 GLN N . 53491 1 459 . 1 . 1 84 84 LEU H H 1 8.6350 0.0000 . 1 . . 12298 . . 83 LEU H . 53491 1 460 . 1 . 1 84 84 LEU HD11 H 1 0.6980 0.0000 . 2 . . . . . 83 LEU HD11 . 53491 1 461 . 1 . 1 84 84 LEU HD12 H 1 0.6980 0.0000 . 2 . . . . . 83 LEU HD11 . 53491 1 462 . 1 . 1 84 84 LEU HD13 H 1 0.6980 0.0000 . 2 . . . . . 83 LEU HD11 . 53491 1 463 . 1 . 1 84 84 LEU HD21 H 1 0.3950 0.0000 . 2 . . . . . 83 LEU HD21 . 53491 1 464 . 1 . 1 84 84 LEU HD22 H 1 0.3950 0.0000 . 2 . . . . . 83 LEU HD21 . 53491 1 465 . 1 . 1 84 84 LEU HD23 H 1 0.3950 0.0000 . 2 . . . . . 83 LEU HD21 . 53491 1 466 . 1 . 1 84 84 LEU C C 13 175.7320 0.0000 . 1 . . 22495 . . 83 LEU C . 53491 1 467 . 1 . 1 84 84 LEU CA C 13 52.5513 0.0000 . 1 . . 22496 . . 83 LEU CA . 53491 1 468 . 1 . 1 84 84 LEU CB C 13 44.9307 0.0000 . 1 . . 22504 . . 83 LEU CB . 53491 1 469 . 1 . 1 84 84 LEU CD1 C 13 23.3600 0.0000 . 2 . . . . . 83 LEU CD1 . 53491 1 470 . 1 . 1 84 84 LEU CD2 C 13 24.9480 0.0000 . 2 . . . . . 83 LEU CD2 . 53491 1 471 . 1 . 1 84 84 LEU N N 15 127.7438 0.0000 . 1 . . 12300 . . 83 LEU N . 53491 1 472 . 1 . 1 85 85 SER H H 1 8.1831 0.0000 . 1 . . 16285 . . 84 SER H . 53491 1 473 . 1 . 1 85 85 SER C C 13 172.9128 0.0000 . 1 . . 24266 . . 84 SER C . 53491 1 474 . 1 . 1 85 85 SER CA C 13 56.8248 0.0000 . 1 . . 24267 . . 84 SER CA . 53491 1 475 . 1 . 1 85 85 SER CB C 13 65.1086 0.0000 . 1 . . 24271 . . 84 SER CB . 53491 1 476 . 1 . 1 85 85 SER N N 15 117.5812 0.0000 . 1 . . 16287 . . 84 SER N . 53491 1 477 . 1 . 1 86 86 SER H H 1 8.1568 0.0000 . 1 . . 19720 . . 85 SER H . 53491 1 478 . 1 . 1 86 86 SER C C 13 174.8666 0.0000 . 1 . . 24418 . . 85 SER C . 53491 1 479 . 1 . 1 86 86 SER CA C 13 57.1052 0.0000 . 1 . . 32928 . . 85 SER CA . 53491 1 480 . 1 . 1 86 86 SER CB C 13 61.0809 0.0000 . 1 . . 24421 . . 85 SER CB . 53491 1 481 . 1 . 1 86 86 SER N N 15 116.2072 0.0000 . 1 . . 19722 . . 85 SER N . 53491 1 482 . 1 . 1 87 87 LEU H H 1 7.9777 0.0000 . 1 . . 19321 . . 86 LEU H . 53491 1 483 . 1 . 1 87 87 LEU HD11 H 1 0.6460 0.0000 . 2 . . . . . 86 LEU HD11 . 53491 1 484 . 1 . 1 87 87 LEU HD12 H 1 0.6460 0.0000 . 2 . . . . . 86 LEU HD11 . 53491 1 485 . 1 . 1 87 87 LEU HD13 H 1 0.6460 0.0000 . 2 . . . . . 86 LEU HD11 . 53491 1 486 . 1 . 1 87 87 LEU HD21 H 1 0.6550 0.0000 . 2 . . . . . 86 LEU HD21 . 53491 1 487 . 1 . 1 87 87 LEU HD22 H 1 0.6550 0.0000 . 2 . . . . . 86 LEU HD21 . 53491 1 488 . 1 . 1 87 87 LEU HD23 H 1 0.6550 0.0000 . 2 . . . . . 86 LEU HD21 . 53491 1 489 . 1 . 1 87 87 LEU C C 13 178.5786 0.0000 . 1 . . 23967 . . 86 LEU C . 53491 1 490 . 1 . 1 87 87 LEU CA C 13 56.0880 0.0000 . 1 . . 23974 . . 86 LEU CA . 53491 1 491 . 1 . 1 87 87 LEU CB C 13 41.3384 0.0000 . 1 . . 23973 . . 86 LEU CB . 53491 1 492 . 1 . 1 87 87 LEU CD1 C 13 26.8770 0.0000 . 2 . . . . . 86 LEU CD1 . 53491 1 493 . 1 . 1 87 87 LEU CD2 C 13 23.8540 0.0000 . 2 . . . . . 86 LEU CD2 . 53491 1 494 . 1 . 1 87 87 LEU N N 15 118.9836 0.0000 . 1 . . 19323 . . 86 LEU N . 53491 1 495 . 1 . 1 88 88 THR H H 1 9.4809 0.0000 . 1 . . 20095 . . 87 THR H . 53491 1 496 . 1 . 1 88 88 THR C C 13 176.3593 0.0000 . 1 . . 24893 . . 87 THR C . 53491 1 497 . 1 . 1 88 88 THR CA C 13 59.0413 0.0000 . 1 . . 24894 . . 87 THR CA . 53491 1 498 . 1 . 1 88 88 THR CB C 13 72.5182 0.0000 . 1 . . 24899 . . 87 THR CB . 53491 1 499 . 1 . 1 88 88 THR N N 15 113.5266 0.0000 . 1 . . 20097 . . 87 THR N . 53491 1 500 . 1 . 1 89 89 SER H H 1 8.9164 0.0000 . 1 . . 19591 . . 88 SER H . 53491 1 501 . 1 . 1 89 89 SER C C 13 176.3593 0.0000 . 1 . . 32436 . . 88 SER C . 53491 1 502 . 1 . 1 89 89 SER CA C 13 61.8533 0.0000 . 1 . . 24348 . . 88 SER CA . 53491 1 503 . 1 . 1 89 89 SER N N 15 116.6219 0.0000 . 1 . . 19593 . . 88 SER N . 53491 1 504 . 1 . 1 90 90 GLU C C 13 176.9761 0.0000 . 1 . . 24260 . . 89 GLU C . 53491 1 505 . 1 . 1 90 90 GLU CA C 13 57.8665 0.0000 . 1 . . 24256 . . 89 GLU CA . 53491 1 506 . 1 . 1 90 90 GLU CB C 13 28.6749 0.0000 . 1 . . 24255 . . 89 GLU CB . 53491 1 507 . 1 . 1 91 91 ASP H H 1 8.2842 0.0000 . 1 . . 14158 . . 90 ASP H . 53491 1 508 . 1 . 1 91 91 ASP C C 13 177.2946 0.0000 . 1 . . 24254 . . 90 ASP C . 53491 1 509 . 1 . 1 91 91 ASP CA C 13 54.7067 0.0000 . 1 . . 24253 . . 90 ASP CA . 53491 1 510 . 1 . 1 91 91 ASP CB C 13 42.0444 0.0000 . 1 . . 24262 . . 90 ASP CB . 53491 1 511 . 1 . 1 91 91 ASP N N 15 117.4912 0.0000 . 1 . . 14160 . . 90 ASP N . 53491 1 512 . 1 . 1 92 92 SER H H 1 7.6204 0.0000 . 1 . . 12817 . . 91 SER H . 53491 1 513 . 1 . 1 92 92 SER C C 13 172.9583 0.0000 . 1 . . 23688 . . 91 SER C . 53491 1 514 . 1 . 1 92 92 SER CA C 13 59.5732 0.0000 . 1 . . 23685 . . 91 SER CA . 53491 1 515 . 1 . 1 92 92 SER CB C 13 62.3135 0.0000 . 1 . . 23693 . . 91 SER CB . 53491 1 516 . 1 . 1 92 92 SER N N 15 120.5026 0.0000 . 1 . . 12819 . . 91 SER N . 53491 1 517 . 1 . 1 93 93 ALA H H 1 8.3724 0.0000 . 1 . . 12274 . . 92 ALA H . 53491 1 518 . 1 . 1 93 93 ALA C C 13 174.3802 0.0000 . 1 . . 22439 . . 92 ALA C . 53491 1 519 . 1 . 1 93 93 ALA CA C 13 51.2861 0.0000 . 1 . . 22441 . . 92 ALA CA . 53491 1 520 . 1 . 1 93 93 ALA CB C 13 20.5601 0.0000 . 1 . . 22444 . . 92 ALA CB . 53491 1 521 . 1 . 1 93 93 ALA N N 15 128.4233 0.0000 . 1 . . 12276 . . 92 ALA N . 53491 1 522 . 1 . 1 94 94 VAL H H 1 7.6658 0.0000 . 1 . . 14056 . . 93 VAL H . 53491 1 523 . 1 . 1 94 94 VAL HG11 H 1 0.2590 0.0000 . 2 . . . . . 93 VAL HG11 . 53491 1 524 . 1 . 1 94 94 VAL HG12 H 1 0.2590 0.0000 . 2 . . . . . 93 VAL HG11 . 53491 1 525 . 1 . 1 94 94 VAL HG13 H 1 0.2590 0.0000 . 2 . . . . . 93 VAL HG11 . 53491 1 526 . 1 . 1 94 94 VAL HG21 H 1 0.8800 0.0000 . 2 . . . . . 93 VAL HG21 . 53491 1 527 . 1 . 1 94 94 VAL HG22 H 1 0.8800 0.0000 . 2 . . . . . 93 VAL HG21 . 53491 1 528 . 1 . 1 94 94 VAL HG23 H 1 0.8800 0.0000 . 2 . . . . . 93 VAL HG21 . 53491 1 529 . 1 . 1 94 94 VAL C C 13 174.3545 0.0000 . 1 . . 31522 . . 93 VAL C . 53491 1 530 . 1 . 1 94 94 VAL CA C 13 61.2597 0.0000 . 1 . . 24004 . . 93 VAL CA . 53491 1 531 . 1 . 1 94 94 VAL CB C 13 32.4554 0.0000 . 1 . . 24014 . . 93 VAL CB . 53491 1 532 . 1 . 1 94 94 VAL CG1 C 13 20.5920 0.0000 . 2 . . . . . 93 VAL CG1 . 53491 1 533 . 1 . 1 94 94 VAL CG2 C 13 21.3080 0.0000 . 2 . . . . . 93 VAL CG2 . 53491 1 534 . 1 . 1 94 94 VAL N N 15 118.9093 0.0000 . 1 . . 14058 . . 93 VAL N . 53491 1 535 . 1 . 1 95 95 TYR H H 1 8.5073 0.0000 . 1 . . 13777 . . 94 TYR H . 53491 1 536 . 1 . 1 95 95 TYR C C 13 176.0264 0.0000 . 1 . . 23196 . . 94 TYR C . 53491 1 537 . 1 . 1 95 95 TYR CA C 13 56.0026 0.0000 . 1 . . 23197 . . 94 TYR CA . 53491 1 538 . 1 . 1 95 95 TYR CB C 13 40.3867 0.0000 . 1 . . 23205 . . 94 TYR CB . 53491 1 539 . 1 . 1 95 95 TYR N N 15 123.3320 0.0000 . 1 . . 13779 . . 94 TYR N . 53491 1 540 . 1 . 1 96 96 TYR H H 1 9.9068 0.0000 . 1 . . 12550 . . 95 TYR H . 53491 1 541 . 1 . 1 96 96 TYR C C 13 175.6361 0.0000 . 1 . . 23038 . . 95 TYR C . 53491 1 542 . 1 . 1 96 96 TYR CA C 13 57.3693 0.0000 . 1 . . 23046 . . 95 TYR CA . 53491 1 543 . 1 . 1 96 96 TYR CB C 13 41.2368 0.0000 . 1 . . 23045 . . 95 TYR CB . 53491 1 544 . 1 . 1 96 96 TYR N N 15 124.0268 0.0000 . 1 . . 12552 . . 95 TYR N . 53491 1 545 . 1 . 1 97 97 CYS H H 1 6.9506 0.0000 . 1 . . 14281 . . 96 CYS H . 53491 1 546 . 1 . 1 97 97 CYS C C 13 172.1629 0.0000 . 1 . . 24587 . . 96 CYS C . 53491 1 547 . 1 . 1 97 97 CYS CA C 13 52.4255 0.0000 . 1 . . 24581 . . 96 CYS CA . 53491 1 548 . 1 . 1 97 97 CYS CB C 13 43.7209 0.0000 . 1 . . 24590 . . 96 CYS CB . 53491 1 549 . 1 . 1 97 97 CYS N N 15 114.9528 0.0000 . 1 . . 14283 . . 96 CYS N . 53491 1 550 . 1 . 1 98 98 ALA H H 1 8.4591 0.0000 . 1 . . 18523 . . 97 ALA H . 53491 1 551 . 1 . 1 98 98 ALA C C 13 174.7525 0.0000 . 1 . . 23224 . . 97 ALA C . 53491 1 552 . 1 . 1 98 98 ALA CA C 13 50.6854 0.0000 . 1 . . 23228 . . 97 ALA CA . 53491 1 553 . 1 . 1 98 98 ALA CB C 13 19.2262 0.0000 . 1 . . 28545 . . 97 ALA CB . 53491 1 554 . 1 . 1 98 98 ALA N N 15 123.2559 0.0000 . 1 . . 18525 . . 97 ALA N . 53491 1 555 . 1 . 1 99 99 ARG H H 1 8.3951 0.0000 . 1 . . 15883 . . 98 ARG H . 53491 1 556 . 1 . 1 99 99 ARG C C 13 175.5250 0.0000 . 1 . . 23367 . . 98 ARG C . 53491 1 557 . 1 . 1 99 99 ARG CA C 13 53.6026 0.0000 . 1 . . 29451 . . 98 ARG CA . 53491 1 558 . 1 . 1 99 99 ARG CB C 13 33.1579 0.0000 . 1 . . 29476 . . 98 ARG CB . 53491 1 559 . 1 . 1 99 99 ARG N N 15 122.4741 0.0000 . 1 . . 15885 . . 98 ARG N . 53491 1 560 . 1 . 1 100 100 SER H H 1 8.3602 0.0000 . 1 . . 16375 . . 99 SER H . 53491 1 561 . 1 . 1 100 100 SER C C 13 174.4259 0.0000 . 1 . . 24556 . . 99 SER C . 53491 1 562 . 1 . 1 100 100 SER CA C 13 55.8443 0.0000 . 1 . . 24547 . . 99 SER CA . 53491 1 563 . 1 . 1 100 100 SER CB C 13 66.7977 0.0000 . 1 . . 24554 . . 99 SER CB . 53491 1 564 . 1 . 1 100 100 SER N N 15 115.3112 0.0000 . 1 . . 16377 . . 99 SER N . 53491 1 565 . 1 . 1 101 101 THR H H 1 8.6456 0.0000 . 1 . . 19486 . . 100 THR H . 53491 1 566 . 1 . 1 101 101 THR C C 13 171.5511 0.0000 . 1 . . 24295 . . 100 THR C . 53491 1 567 . 1 . 1 101 101 THR CA C 13 61.1525 0.0000 . 1 . . 24292 . . 100 THR CA . 53491 1 568 . 1 . 1 101 101 THR CB C 13 70.6033 0.0000 . 1 . . 24293 . . 100 THR CB . 53491 1 569 . 1 . 1 101 101 THR N N 15 117.1557 0.0000 . 1 . . 19488 . . 100 THR N . 53491 1 570 . 1 . 1 102 102 TYR H H 1 8.3110 0.0000 . 1 . . 13564 . . 101 TYR H . 53491 1 571 . 1 . 1 102 102 TYR C C 13 175.1805 0.0000 . 1 . . 22595 . . 101 TYR C . 53491 1 572 . 1 . 1 102 102 TYR CA C 13 56.7653 0.0000 . 1 . . 22594 . . 101 TYR CA . 53491 1 573 . 1 . 1 102 102 TYR CB C 13 38.3521 0.0000 . 1 . . 22597 . . 101 TYR CB . 53491 1 574 . 1 . 1 102 102 TYR N N 15 127.0922 0.0000 . 1 . . 13566 . . 101 TYR N . 53491 1 575 . 1 . 1 105 105 GLY C C 13 172.2572 0.0000 . 1 . . 23818 . . 104 GLY C . 53491 1 576 . 1 . 1 105 105 GLY CA C 13 44.2903 0.0000 . 1 . . 23817 . . 104 GLY CA . 53491 1 577 . 1 . 1 106 106 ASP H H 1 7.1424 0.0000 . 1 . . 19147 . . 105 ASP H . 53491 1 578 . 1 . 1 106 106 ASP C C 13 173.5836 0.0000 . 1 . . 23814 . . 105 ASP C . 53491 1 579 . 1 . 1 106 106 ASP CA C 13 51.8330 0.0000 . 1 . . 23815 . . 105 ASP CA . 53491 1 580 . 1 . 1 106 106 ASP CB C 13 43.1543 0.0000 . 1 . . 30659 . . 105 ASP CB . 53491 1 581 . 1 . 1 106 106 ASP N N 15 120.1803 0.0000 . 1 . . 19149 . . 105 ASP N . 53491 1 582 . 1 . 1 107 107 TRP H H 1 7.6896 0.0000 . 1 . . 14011 . . 106 TRP H . 53491 1 583 . 1 . 1 107 107 TRP C C 13 174.5298 0.0000 . 1 . . 23829 . . 106 TRP C . 53491 1 584 . 1 . 1 107 107 TRP CA C 13 55.8280 0.0000 . 1 . . 23825 . . 106 TRP CA . 53491 1 585 . 1 . 1 107 107 TRP CB C 13 30.0120 0.0000 . 1 . . 23828 . . 106 TRP CB . 53491 1 586 . 1 . 1 107 107 TRP N N 15 119.9783 0.0000 . 1 . . 14013 . . 106 TRP N . 53491 1 587 . 1 . 1 108 108 TYR C C 13 175.4767 0.0000 . 1 . . 28090 . . 107 TYR C . 53491 1 588 . 1 . 1 108 108 TYR CA C 13 54.8970 0.0000 . 1 . . 47395 . . 107 TYR CA . 53491 1 589 . 1 . 1 108 108 TYR CB C 13 39.8128 0.0000 . 1 . . 47413 . . 107 TYR CB . 53491 1 590 . 1 . 1 109 109 PHE H H 1 7.5672 0.0000 . 1 . . 28089 . . 108 PHE H . 53491 1 591 . 1 . 1 109 109 PHE C C 13 174.7730 0.0000 . 1 . . 47389 . . 108 PHE C . 53491 1 592 . 1 . 1 109 109 PHE CA C 13 55.5185 0.0000 . 1 . . 47398 . . 108 PHE CA . 53491 1 593 . 1 . 1 109 109 PHE CB C 13 37.8255 0.0000 . 1 . . 47416 . . 108 PHE CB . 53491 1 594 . 1 . 1 109 109 PHE N N 15 122.6937 0.0000 . 1 . . 28091 . . 108 PHE N . 53491 1 595 . 1 . 1 110 110 ASN H H 1 8.3145 0.0000 . 1 . . 12733 . . 109 ASN H . 53491 1 596 . 1 . 1 110 110 ASN C C 13 174.3990 0.0000 . 1 . . 23400 . . 109 ASN C . 53491 1 597 . 1 . 1 110 110 ASN CA C 13 53.5792 0.0000 . 1 . . 23396 . . 109 ASN CA . 53491 1 598 . 1 . 1 110 110 ASN CB C 13 38.4650 0.0000 . 1 . . 29718 . . 109 ASN CB . 53491 1 599 . 1 . 1 110 110 ASN N N 15 122.0680 0.0000 . 1 . . 12735 . . 109 ASN N . 53491 1 600 . 1 . 1 111 111 VAL H H 1 7.1183 0.0000 . 1 . . 16117 . . 110 VAL H . 53491 1 601 . 1 . 1 111 111 VAL HG11 H 1 0.8150 0.0000 . 2 . . . . . 110 VAL HG11 . 53491 1 602 . 1 . 1 111 111 VAL HG12 H 1 0.8150 0.0000 . 2 . . . . . 110 VAL HG11 . 53491 1 603 . 1 . 1 111 111 VAL HG13 H 1 0.8150 0.0000 . 2 . . . . . 110 VAL HG11 . 53491 1 604 . 1 . 1 111 111 VAL HG21 H 1 0.7820 0.0000 . 2 . . . . . 110 VAL HG21 . 53491 1 605 . 1 . 1 111 111 VAL HG22 H 1 0.7820 0.0000 . 2 . . . . . 110 VAL HG21 . 53491 1 606 . 1 . 1 111 111 VAL HG23 H 1 0.7820 0.0000 . 2 . . . . . 110 VAL HG21 . 53491 1 607 . 1 . 1 111 111 VAL C C 13 173.0340 0.0000 . 1 . . 23868 . . 110 VAL C . 53491 1 608 . 1 . 1 111 111 VAL CA C 13 61.8773 0.0000 . 1 . . 23872 . . 110 VAL CA . 53491 1 609 . 1 . 1 111 111 VAL CB C 13 34.2337 0.0000 . 1 . . 23873 . . 110 VAL CB . 53491 1 610 . 1 . 1 111 111 VAL CG1 C 13 21.1730 0.0000 . 2 . . . . . 110 VAL CG1 . 53491 1 611 . 1 . 1 111 111 VAL CG2 C 13 20.6660 0.0000 . 2 . . . . . 110 VAL CG2 . 53491 1 612 . 1 . 1 111 111 VAL N N 15 119.5531 0.0000 . 1 . . 16119 . . 110 VAL N . 53491 1 613 . 1 . 1 112 112 TRP H H 1 8.9347 0.0000 . 1 . . 15484 . . 111 TRP H . 53491 1 614 . 1 . 1 112 112 TRP C C 13 178.3877 0.0000 . 1 . . 22575 . . 111 TRP C . 53491 1 615 . 1 . 1 112 112 TRP CA C 13 56.1475 0.0000 . 1 . . 22584 . . 111 TRP CA . 53491 1 616 . 1 . 1 112 112 TRP CB C 13 30.4895 0.0000 . 1 . . 26433 . . 111 TRP CB . 53491 1 617 . 1 . 1 112 112 TRP N N 15 127.2251 0.0000 . 1 . . 15486 . . 111 TRP N . 53491 1 618 . 1 . 1 113 113 GLY H H 1 9.2260 0.0000 . 1 . . 13303 . . 112 GLY H . 53491 1 619 . 1 . 1 113 113 GLY C C 13 173.1640 0.0000 . 1 . . 25134 . . 112 GLY C . 53491 1 620 . 1 . 1 113 113 GLY CA C 13 44.4450 0.0000 . 1 . . 25136 . . 112 GLY CA . 53491 1 621 . 1 . 1 113 113 GLY N N 15 111.8081 0.0000 . 1 . . 13305 . . 112 GLY N . 53491 1 622 . 1 . 1 114 114 ALA H H 1 8.3223 0.0000 . 1 . . 19432 . . 113 ALA H . 53491 1 623 . 1 . 1 114 114 ALA C C 13 178.9639 0.0000 . 1 . . 24240 . . 113 ALA C . 53491 1 624 . 1 . 1 114 114 ALA CA C 13 53.1550 0.0000 . 1 . . 24247 . . 113 ALA CA . 53491 1 625 . 1 . 1 114 114 ALA CB C 13 18.7656 0.0000 . 1 . . 24248 . . 113 ALA CB . 53491 1 626 . 1 . 1 114 114 ALA N N 15 117.7896 0.0000 . 1 . . 19434 . . 113 ALA N . 53491 1 627 . 1 . 1 115 115 GLY H H 1 7.5794 0.0000 . 1 . . 14530 . . 114 GLY H . 53491 1 628 . 1 . 1 115 115 GLY C C 13 172.6725 0.0000 . 1 . . 25577 . . 114 GLY C . 53491 1 629 . 1 . 1 115 115 GLY CA C 13 44.3593 0.0000 . 1 . . 25573 . . 114 GLY CA . 53491 1 630 . 1 . 1 115 115 GLY N N 15 105.5541 0.0000 . 1 . . 14532 . . 114 GLY N . 53491 1 631 . 1 . 1 116 116 THR H H 1 8.4404 0.0000 . 1 . . 12760 . . 115 THR H . 53491 1 632 . 1 . 1 116 116 THR C C 13 174.9783 0.0000 . 1 . . 23576 . . 115 THR C . 53491 1 633 . 1 . 1 116 116 THR CA C 13 60.8818 0.0000 . 1 . . 23578 . . 115 THR CA . 53491 1 634 . 1 . 1 116 116 THR CB C 13 71.0992 0.0000 . 1 . . 23586 . . 115 THR CB . 53491 1 635 . 1 . 1 116 116 THR N N 15 121.5201 0.0000 . 1 . . 12762 . . 115 THR N . 53491 1 636 . 1 . 1 117 117 THR H H 1 8.6159 0.0000 . 1 . . 13615 . . 116 THR H . 53491 1 637 . 1 . 1 117 117 THR C C 13 174.2154 0.0000 . 1 . . 22738 . . 116 THR C . 53491 1 638 . 1 . 1 117 117 THR CA C 13 63.4354 0.0000 . 1 . . 22742 . . 116 THR CA . 53491 1 639 . 1 . 1 117 117 THR CB C 13 68.1110 0.0000 . 1 . . 22743 . . 116 THR CB . 53491 1 640 . 1 . 1 117 117 THR N N 15 125.9478 0.0000 . 1 . . 13617 . . 116 THR N . 53491 1 641 . 1 . 1 118 118 VAL H H 1 9.3318 0.0000 . 1 . . 12154 . . 117 VAL H . 53491 1 642 . 1 . 1 118 118 VAL HG11 H 1 0.9520 0.0000 . 2 . . . . . 117 VAL HG11 . 53491 1 643 . 1 . 1 118 118 VAL HG12 H 1 0.9520 0.0000 . 2 . . . . . 117 VAL HG11 . 53491 1 644 . 1 . 1 118 118 VAL HG13 H 1 0.9520 0.0000 . 2 . . . . . 117 VAL HG11 . 53491 1 645 . 1 . 1 118 118 VAL HG21 H 1 0.7300 0.0000 . 2 . . . . . 117 VAL HG21 . 53491 1 646 . 1 . 1 118 118 VAL HG22 H 1 0.7300 0.0000 . 2 . . . . . 117 VAL HG21 . 53491 1 647 . 1 . 1 118 118 VAL HG23 H 1 0.7300 0.0000 . 2 . . . . . 117 VAL HG21 . 53491 1 648 . 1 . 1 118 118 VAL C C 13 175.4825 0.0000 . 1 . . 22161 . . 117 VAL C . 53491 1 649 . 1 . 1 118 118 VAL CA C 13 61.2095 0.0000 . 1 . . 22162 . . 117 VAL CA . 53491 1 650 . 1 . 1 118 118 VAL CB C 13 33.0849 0.0000 . 1 . . 22170 . . 117 VAL CB . 53491 1 651 . 1 . 1 118 118 VAL CG1 C 13 23.7930 0.0000 . 2 . . . . . 117 VAL CG1 . 53491 1 652 . 1 . 1 118 118 VAL CG2 C 13 20.8890 0.0000 . 2 . . . . . 117 VAL CG2 . 53491 1 653 . 1 . 1 118 118 VAL N N 15 133.1269 0.0000 . 1 . . 12156 . . 117 VAL N . 53491 1 654 . 1 . 1 119 119 THR H H 1 8.6439 0.0000 . 1 . . 12385 . . 118 THR H . 53491 1 655 . 1 . 1 119 119 THR C C 13 172.2461 0.0000 . 1 . . 22688 . . 118 THR C . 53491 1 656 . 1 . 1 119 119 THR CA C 13 62.0486 0.0000 . 1 . . 22689 . . 118 THR CA . 53491 1 657 . 1 . 1 119 119 THR CB C 13 69.7006 0.0000 . 1 . . 22691 . . 118 THR CB . 53491 1 658 . 1 . 1 119 119 THR N N 15 126.1114 0.0000 . 1 . . 12387 . . 118 THR N . 53491 1 659 . 1 . 1 120 120 VAL H H 1 8.2006 0.0000 . 1 . . 15430 . . 119 VAL H . 53491 1 660 . 1 . 1 120 120 VAL HG11 H 1 0.4230 0.0000 . 2 . . . . . 119 VAL HG11 . 53491 1 661 . 1 . 1 120 120 VAL HG12 H 1 0.4230 0.0000 . 2 . . . . . 119 VAL HG11 . 53491 1 662 . 1 . 1 120 120 VAL HG13 H 1 0.4230 0.0000 . 2 . . . . . 119 VAL HG11 . 53491 1 663 . 1 . 1 120 120 VAL HG21 H 1 0.7120 0.0000 . 2 . . . . . 119 VAL HG21 . 53491 1 664 . 1 . 1 120 120 VAL HG22 H 1 0.7120 0.0000 . 2 . . . . . 119 VAL HG21 . 53491 1 665 . 1 . 1 120 120 VAL HG23 H 1 0.7120 0.0000 . 2 . . . . . 119 VAL HG21 . 53491 1 666 . 1 . 1 120 120 VAL C C 13 176.2988 0.0000 . 1 . . 22422 . . 119 VAL C . 53491 1 667 . 1 . 1 120 120 VAL CA C 13 59.8099 0.0000 . 1 . . 22421 . . 119 VAL CA . 53491 1 668 . 1 . 1 120 120 VAL CB C 13 30.5907 0.0000 . 1 . . 22427 . . 119 VAL CB . 53491 1 669 . 1 . 1 120 120 VAL CG1 C 13 19.9570 0.0000 . 2 . . . . . 119 VAL CG1 . 53491 1 670 . 1 . 1 120 120 VAL CG2 C 13 21.1430 0.0000 . 2 . . . . . 119 VAL CG2 . 53491 1 671 . 1 . 1 120 120 VAL N N 15 128.5323 0.0000 . 1 . . 15432 . . 119 VAL N . 53491 1 672 . 1 . 1 121 121 SER H H 1 8.7252 0.0000 . 1 . . 12793 . . 120 SER H . 53491 1 673 . 1 . 1 121 121 SER C C 13 173.3116 0.0000 . 1 . . 23636 . . 120 SER C . 53491 1 674 . 1 . 1 121 121 SER CA C 13 56.8919 0.0000 . 1 . . 23637 . . 120 SER CA . 53491 1 675 . 1 . 1 121 121 SER CB C 13 63.5365 0.0000 . 1 . . 23645 . . 120 SER CB . 53491 1 676 . 1 . 1 121 121 SER N N 15 120.8015 0.0000 . 1 . . 12795 . . 120 SER N . 53491 1 677 . 1 . 1 122 122 ALA H H 1 8.8623 0.0000 . 1 . . 12223 . . 121 ALA H . 53491 1 678 . 1 . 1 122 122 ALA C C 13 176.9304 0.0000 . 1 . . 22279 . . 121 ALA C . 53491 1 679 . 1 . 1 122 122 ALA CA C 13 52.0295 0.0000 . 1 . . 22277 . . 121 ALA CA . 53491 1 680 . 1 . 1 122 122 ALA CB C 13 18.1095 0.0000 . 1 . . 22284 . . 121 ALA CB . 53491 1 681 . 1 . 1 122 122 ALA N N 15 129.7944 0.0000 . 1 . . 12225 . . 121 ALA N . 53491 1 682 . 1 . 1 123 123 ALA H H 1 8.2268 0.0000 . 1 . . 15766 . . 122 ALA H . 53491 1 683 . 1 . 1 123 123 ALA C C 13 176.2693 0.0000 . 1 . . 23075 . . 122 ALA C . 53491 1 684 . 1 . 1 123 123 ALA CA C 13 52.0840 0.0000 . 1 . . 27882 . . 122 ALA CA . 53491 1 685 . 1 . 1 123 123 ALA CB C 13 17.5027 0.0000 . 1 . . 23080 . . 122 ALA CB . 53491 1 686 . 1 . 1 123 123 ALA N N 15 123.7346 0.0000 . 1 . . 15768 . . 122 ALA N . 53491 1 687 . 1 . 1 124 124 SER H H 1 7.6191 0.0000 . 1 . . 16429 . . 123 SER H . 53491 1 688 . 1 . 1 124 124 SER C C 13 173.9330 0.0000 . 1 . . 24706 . . 123 SER C . 53491 1 689 . 1 . 1 124 124 SER CA C 13 57.0196 0.0000 . 1 . . 24707 . . 123 SER CA . 53491 1 690 . 1 . 1 124 124 SER CB C 13 64.2672 0.0000 . 1 . . 24708 . . 123 SER CB . 53491 1 691 . 1 . 1 124 124 SER N N 15 114.0640 0.0000 . 1 . . 16431 . . 123 SER N . 53491 1 692 . 1 . 1 125 125 THR H H 1 8.1074 0.0000 . 1 . . 19480 . . 124 THR H . 53491 1 693 . 1 . 1 125 125 THR C C 13 174.6000 0.0000 . 1 . . 24300 . . 124 THR C . 53491 1 694 . 1 . 1 125 125 THR CA C 13 63.5986 0.0000 . 1 . . 24301 . . 124 THR CA . 53491 1 695 . 1 . 1 125 125 THR CB C 13 68.7258 0.0000 . 1 . . 24309 . . 124 THR CB . 53491 1 696 . 1 . 1 125 125 THR N N 15 117.1098 0.0000 . 1 . . 19482 . . 124 THR N . 53491 1 697 . 1 . 1 126 126 LYS H H 1 9.4298 0.0000 . 1 . . 12259 . . 125 LYS H . 53491 1 698 . 1 . 1 126 126 LYS C C 13 175.4170 0.0000 . 1 . . 22372 . . 125 LYS C . 53491 1 699 . 1 . 1 126 126 LYS CA C 13 55.7520 0.0000 . 1 . . 22380 . . 125 LYS CA . 53491 1 700 . 1 . 1 126 126 LYS CB C 13 35.4435 0.0000 . 1 . . 22379 . . 125 LYS CB . 53491 1 701 . 1 . 1 126 126 LYS N N 15 128.7754 0.0000 . 1 . . 12261 . . 125 LYS N . 53491 1 702 . 1 . 1 127 127 GLY H H 1 8.9865 0.0000 . 1 . . 14335 . . 126 GLY H . 53491 1 703 . 1 . 1 127 127 GLY C C 13 171.1064 0.0000 . 1 . . 24729 . . 126 GLY C . 53491 1 704 . 1 . 1 127 127 GLY CA C 13 44.1630 0.0000 . 1 . . 24726 . . 126 GLY CA . 53491 1 705 . 1 . 1 127 127 GLY N N 15 114.1012 0.0000 . 1 . . 14337 . . 126 GLY N . 53491 1 706 . 1 . 1 128 128 PRO C C 13 177.3656 0.0000 . 1 . . 24344 . . 127 PRO C . 53491 1 707 . 1 . 1 128 128 PRO CA C 13 61.8362 0.0000 . 1 . . 24340 . . 127 PRO CA . 53491 1 708 . 1 . 1 128 128 PRO CB C 13 32.2246 0.0000 . 1 . . 24339 . . 127 PRO CB . 53491 1 709 . 1 . 1 129 129 SER H H 1 8.4914 0.0000 . 1 . . 13081 . . 128 SER H . 53491 1 710 . 1 . 1 129 129 SER C C 13 171.9941 0.0000 . 1 . . 24336 . . 128 SER C . 53491 1 711 . 1 . 1 129 129 SER CA C 13 57.8366 0.0000 . 1 . . 24346 . . 128 SER CA . 53491 1 712 . 1 . 1 129 129 SER CB C 13 64.3323 0.0000 . 1 . . 24345 . . 128 SER CB . 53491 1 713 . 1 . 1 129 129 SER N N 15 116.4983 0.0000 . 1 . . 13083 . . 128 SER N . 53491 1 714 . 1 . 1 130 130 VAL H H 1 7.9396 0.0000 . 1 . . 13750 . . 129 VAL H . 53491 1 715 . 1 . 1 130 130 VAL HG11 H 1 0.5850 0.0000 . 2 . . . . . 129 VAL HG11 . 53491 1 716 . 1 . 1 130 130 VAL HG12 H 1 0.5850 0.0000 . 2 . . . . . 129 VAL HG11 . 53491 1 717 . 1 . 1 130 130 VAL HG13 H 1 0.5850 0.0000 . 2 . . . . . 129 VAL HG11 . 53491 1 718 . 1 . 1 130 130 VAL HG21 H 1 0.5620 0.0000 . 2 . . . . . 129 VAL HG21 . 53491 1 719 . 1 . 1 130 130 VAL HG22 H 1 0.5620 0.0000 . 2 . . . . . 129 VAL HG21 . 53491 1 720 . 1 . 1 130 130 VAL HG23 H 1 0.5620 0.0000 . 2 . . . . . 129 VAL HG21 . 53491 1 721 . 1 . 1 130 130 VAL C C 13 173.7645 0.0000 . 1 . . 23151 . . 129 VAL C . 53491 1 722 . 1 . 1 130 130 VAL CA C 13 60.1415 0.0000 . 1 . . 23158 . . 129 VAL CA . 53491 1 723 . 1 . 1 130 130 VAL CB C 13 32.5879 0.0000 . 1 . . 23156 . . 129 VAL CB . 53491 1 724 . 1 . 1 130 130 VAL CG1 C 13 21.5820 0.0000 . 2 . . . . . 129 VAL CG1 . 53491 1 725 . 1 . 1 130 130 VAL CG2 C 13 21.2530 0.0000 . 2 . . . . . 129 VAL CG2 . 53491 1 726 . 1 . 1 130 130 VAL N N 15 123.6771 0.0000 . 1 . . 13752 . . 129 VAL N . 53491 1 727 . 1 . 1 131 131 PHE H H 1 9.0990 0.0000 . 1 . . 15580 . . 130 PHE H . 53491 1 728 . 1 . 1 131 131 PHE C C 13 173.1291 0.0000 . 1 . . 22777 . . 130 PHE C . 53491 1 729 . 1 . 1 131 131 PHE CA C 13 52.4468 0.0000 . 1 . . 22776 . . 130 PHE CA . 53491 1 730 . 1 . 1 131 131 PHE CB C 13 40.4746 0.0000 . 1 . . 22782 . . 130 PHE CB . 53491 1 731 . 1 . 1 131 131 PHE N N 15 125.6442 0.0000 . 1 . . 15582 . . 130 PHE N . 53491 1 732 . 1 . 1 132 132 PRO C C 13 176.0846 0.0000 . 1 . . 23087 . . 131 PRO C . 53491 1 733 . 1 . 1 132 132 PRO CA C 13 62.7362 0.0000 . 1 . . 23083 . . 131 PRO CA . 53491 1 734 . 1 . 1 132 132 PRO CB C 13 32.0065 0.0000 . 1 . . 27936 . . 131 PRO CB . 53491 1 735 . 1 . 1 133 133 LEU H H 1 8.3577 0.0000 . 1 . . 13738 . . 132 LEU H . 53491 1 736 . 1 . 1 133 133 LEU HD11 H 1 0.3100 0.0000 . 2 . . . . . 132 LEU HD11 . 53491 1 737 . 1 . 1 133 133 LEU HD12 H 1 0.3100 0.0000 . 2 . . . . . 132 LEU HD11 . 53491 1 738 . 1 . 1 133 133 LEU HD13 H 1 0.3100 0.0000 . 2 . . . . . 132 LEU HD11 . 53491 1 739 . 1 . 1 133 133 LEU HD21 H 1 0.5800 0.0000 . 2 . . . . . 132 LEU HD21 . 53491 1 740 . 1 . 1 133 133 LEU HD22 H 1 0.5800 0.0000 . 2 . . . . . 132 LEU HD21 . 53491 1 741 . 1 . 1 133 133 LEU HD23 H 1 0.5800 0.0000 . 2 . . . . . 132 LEU HD21 . 53491 1 742 . 1 . 1 133 133 LEU C C 13 174.4391 0.0000 . 1 . . 23082 . . 132 LEU C . 53491 1 743 . 1 . 1 133 133 LEU CA C 13 52.7194 0.0000 . 1 . . 27930 . . 132 LEU CA . 53491 1 744 . 1 . 1 133 133 LEU CB C 13 39.4044 0.0000 . 1 . . 23086 . . 132 LEU CB . 53491 1 745 . 1 . 1 133 133 LEU CD1 C 13 24.8840 0.0000 . 2 . . . . . 132 LEU CD1 . 53491 1 746 . 1 . 1 133 133 LEU CD2 C 13 23.7780 0.0000 . 2 . . . . . 132 LEU CD2 . 53491 1 747 . 1 . 1 133 133 LEU N N 15 123.5735 0.0000 . 1 . . 13740 . . 132 LEU N . 53491 1 748 . 1 . 1 134 134 ALA H H 1 8.1511 0.0000 . 1 . . 13687 . . 133 ALA H . 53491 1 749 . 1 . 1 134 134 ALA C C 13 174.6802 0.0000 . 1 . . 22927 . . 133 ALA C . 53491 1 750 . 1 . 1 134 134 ALA CA C 13 49.4126 0.0000 . 1 . . 22924 . . 133 ALA CA . 53491 1 751 . 1 . 1 134 134 ALA CB C 13 19.4113 0.0000 . 1 . . 27474 . . 133 ALA CB . 53491 1 752 . 1 . 1 134 134 ALA N N 15 124.9972 0.0000 . 1 . . 13689 . . 133 ALA N . 53491 1 753 . 1 . 1 135 135 PRO C C 13 176.5512 0.0000 . 1 . . 24609 . . 134 PRO C . 53491 1 754 . 1 . 1 135 135 PRO CA C 13 61.7641 0.0000 . 1 . . 24607 . . 134 PRO CA . 53491 1 755 . 1 . 1 135 135 PRO CB C 13 31.3047 0.0000 . 1 . . 24606 . . 134 PRO CB . 53491 1 756 . 1 . 1 136 136 SER H H 1 8.5545 0.0000 . 1 . . 14290 . . 135 SER H . 53491 1 757 . 1 . 1 136 136 SER C C 13 176.3712 0.0000 . 1 . . 33399 . . 135 SER C . 53491 1 758 . 1 . 1 136 136 SER CA C 13 57.9023 0.0000 . 1 . . 24612 . . 135 SER CA . 53491 1 759 . 1 . 1 136 136 SER CB C 13 64.3394 0.0000 . 1 . . 24611 . . 135 SER CB . 53491 1 760 . 1 . 1 136 136 SER N N 15 114.5784 0.0000 . 1 . . 14292 . . 135 SER N . 53491 1 761 . 1 . 1 137 137 SER H H 1 9.0211 0.0000 . 1 . . 13966 . . 136 SER H . 53491 1 762 . 1 . 1 137 137 SER C C 13 175.8330 0.0000 . 1 . . 23719 . . 136 SER C . 53491 1 763 . 1 . 1 137 137 SER CA C 13 60.0968 0.0000 . 1 . . 23723 . . 136 SER CA . 53491 1 764 . 1 . 1 137 137 SER CB C 13 62.6754 0.0000 . 1 . . 23725 . . 136 SER CB . 53491 1 765 . 1 . 1 137 137 SER N N 15 120.5242 0.0000 . 1 . . 13968 . . 136 SER N . 53491 1 766 . 1 . 1 138 138 LYS H H 1 8.2979 0.0000 . 1 . . 13915 . . 137 LYS H . 53491 1 767 . 1 . 1 138 138 LYS C C 13 177.2068 0.0000 . 1 . . 23591 . . 137 LYS C . 53491 1 768 . 1 . 1 138 138 LYS CA C 13 56.5148 0.0000 . 1 . . 23590 . . 137 LYS CA . 53491 1 769 . 1 . 1 138 138 LYS CB C 13 31.3745 0.0000 . 1 . . 23599 . . 137 LYS CB . 53491 1 770 . 1 . 1 138 138 LYS N N 15 121.1439 0.0000 . 1 . . 13917 . . 137 LYS N . 53491 1 771 . 1 . 1 139 139 SER H H 1 8.0199 0.0000 . 1 . . 14236 . . 138 SER H . 53491 1 772 . 1 . 1 139 139 SER C C 13 174.3478 0.0000 . 1 . . 24440 . . 138 SER C . 53491 1 773 . 1 . 1 139 139 SER CA C 13 57.9623 0.0000 . 1 . . 33012 . . 138 SER CA . 53491 1 774 . 1 . 1 139 139 SER CB C 13 63.4654 0.0000 . 1 . . 24445 . . 138 SER CB . 53491 1 775 . 1 . 1 139 139 SER N N 15 115.7203 0.0000 . 1 . . 14238 . . 138 SER N . 53491 1 776 . 1 . 1 140 140 THR H H 1 7.7372 0.0000 . 1 . . 14239 . . 139 THR H . 53491 1 777 . 1 . 1 140 140 THR C C 13 174.6506 0.0000 . 1 . . 49153 . . 139 THR C . 53491 1 778 . 1 . 1 140 140 THR CA C 13 61.4122 0.0000 . 1 . . 24463 . . 139 THR CA . 53491 1 779 . 1 . 1 140 140 THR CB C 13 69.4787 0.0000 . 1 . . 49141 . . 139 THR CB . 53491 1 780 . 1 . 1 140 140 THR N N 15 115.4302 0.0000 . 1 . . 14241 . . 139 THR N . 53491 1 781 . 1 . 1 141 141 SER H H 1 8.4370 0.0000 . 1 . . 19291 . . 140 SER H . 53491 1 782 . 1 . 1 141 141 SER C C 13 175.1522 0.0000 . 1 . . 49165 . . 140 SER C . 53491 1 783 . 1 . 1 141 141 SER CA C 13 57.9549 0.0000 . 1 . . 24021 . . 140 SER CA . 53491 1 784 . 1 . 1 141 141 SER CB C 13 63.2954 0.0000 . 1 . . 49155 . . 140 SER CB . 53491 1 785 . 1 . 1 141 141 SER N N 15 118.7915 0.0000 . 1 . . 19293 . . 140 SER N . 53491 1 786 . 1 . 1 143 143 GLY C C 13 174.9986 0.0000 . 1 . . 24058 . . 142 GLY C . 53491 1 787 . 1 . 1 143 143 GLY CA C 13 45.5889 0.0000 . 1 . . 24053 . . 142 GLY CA . 53491 1 788 . 1 . 1 144 144 THR H H 1 8.0270 0.0000 . 1 . . 19390 . . 143 THR H . 53491 1 789 . 1 . 1 144 144 THR C C 13 172.2654 0.0000 . 1 . . 24060 . . 143 THR C . 53491 1 790 . 1 . 1 144 144 THR CA C 13 61.7529 0.0000 . 1 . . 24061 . . 143 THR CA . 53491 1 791 . 1 . 1 144 144 THR CB C 13 71.0585 0.0000 . 1 . . 24062 . . 143 THR CB . 53491 1 792 . 1 . 1 144 144 THR N N 15 118.4205 0.0000 . 1 . . 19392 . . 143 THR N . 53491 1 793 . 1 . 1 145 145 ALA H H 1 9.2433 0.0000 . 1 . . 17827 . . 144 ALA H . 53491 1 794 . 1 . 1 145 145 ALA C C 13 174.0931 0.0000 . 1 . . 22488 . . 144 ALA C . 53491 1 795 . 1 . 1 145 145 ALA CA C 13 49.6030 0.0000 . 1 . . 22494 . . 144 ALA CA . 53491 1 796 . 1 . 1 145 145 ALA CB C 13 21.8873 0.0000 . 1 . . 22492 . . 144 ALA CB . 53491 1 797 . 1 . 1 145 145 ALA N N 15 127.9726 0.0000 . 1 . . 17829 . . 144 ALA N . 53491 1 798 . 1 . 1 146 146 ALA H H 1 7.1313 0.0000 . 1 . . 16069 . . 145 ALA H . 53491 1 799 . 1 . 1 146 146 ALA C C 13 174.9229 0.0000 . 1 . . 23774 . . 145 ALA C . 53491 1 800 . 1 . 1 146 146 ALA CA C 13 49.4479 0.0000 . 1 . . 23768 . . 145 ALA CA . 53491 1 801 . 1 . 1 146 146 ALA N N 15 120.5898 0.0000 . 1 . . 16071 . . 145 ALA N . 53491 1 802 . 1 . 1 147 147 LEU H H 1 8.2172 0.0000 . 1 . . 16231 . . 146 LEU H . 53491 1 803 . 1 . 1 147 147 LEU HD11 H 1 0.6170 0.0000 . 2 . . . . . 146 LEU HD11 . 53491 1 804 . 1 . 1 147 147 LEU HD12 H 1 0.6170 0.0000 . 2 . . . . . 146 LEU HD11 . 53491 1 805 . 1 . 1 147 147 LEU HD13 H 1 0.6170 0.0000 . 2 . . . . . 146 LEU HD11 . 53491 1 806 . 1 . 1 147 147 LEU HD21 H 1 0.4420 0.0000 . 2 . . . . . 146 LEU HD21 . 53491 1 807 . 1 . 1 147 147 LEU HD22 H 1 0.4420 0.0000 . 2 . . . . . 146 LEU HD21 . 53491 1 808 . 1 . 1 147 147 LEU HD23 H 1 0.4420 0.0000 . 2 . . . . . 146 LEU HD21 . 53491 1 809 . 1 . 1 147 147 LEU C C 13 175.4086 0.0000 . 1 . . 24140 . . 146 LEU C . 53491 1 810 . 1 . 1 147 147 LEU CA C 13 52.8123 0.0000 . 1 . . 24148 . . 146 LEU CA . 53491 1 811 . 1 . 1 147 147 LEU CB C 13 44.8496 0.0000 . 1 . . 24145 . . 146 LEU CB . 53491 1 812 . 1 . 1 147 147 LEU CD1 C 13 25.1340 0.0000 . 2 . . . . . 146 LEU CD1 . 53491 1 813 . 1 . 1 147 147 LEU CD2 C 13 26.4730 0.0000 . 2 . . . . . 146 LEU CD2 . 53491 1 814 . 1 . 1 147 147 LEU N N 15 118.1133 0.0000 . 1 . . 16233 . . 146 LEU N . 53491 1 815 . 1 . 1 148 148 GLY H H 1 8.6675 0.0000 . 1 . . 13396 . . 147 GLY H . 53491 1 816 . 1 . 1 148 148 GLY C C 13 172.1250 0.0000 . 1 . . 25602 . . 147 GLY C . 53491 1 817 . 1 . 1 148 148 GLY CA C 13 48.2100 0.0000 . 1 . . 25603 . . 147 GLY CA . 53491 1 818 . 1 . 1 148 148 GLY N N 15 104.8820 0.0000 . 1 . . 13398 . . 147 GLY N . 53491 1 819 . 1 . 1 149 149 CYS H H 1 9.5172 0.0000 . 1 . . 14095 . . 148 CYS H . 53491 1 820 . 1 . 1 149 149 CYS C C 13 171.2379 0.0000 . 1 . . 24104 . . 148 CYS C . 53491 1 821 . 1 . 1 149 149 CYS CA C 13 54.1831 0.0000 . 1 . . 24110 . . 148 CYS CA . 53491 1 822 . 1 . 1 149 149 CYS CB C 13 46.9867 0.0000 . 1 . . 24109 . . 148 CYS CB . 53491 1 823 . 1 . 1 149 149 CYS N N 15 118.3375 0.0000 . 1 . . 14097 . . 148 CYS N . 53491 1 824 . 1 . 1 150 150 LEU H H 1 9.4470 0.0000 . 1 . . 12310 . . 149 LEU H . 53491 1 825 . 1 . 1 150 150 LEU HD11 H 1 0.7530 0.0000 . 2 . . . . . 149 LEU HD11 . 53491 1 826 . 1 . 1 150 150 LEU HD12 H 1 0.7530 0.0000 . 2 . . . . . 149 LEU HD11 . 53491 1 827 . 1 . 1 150 150 LEU HD13 H 1 0.7530 0.0000 . 2 . . . . . 149 LEU HD11 . 53491 1 828 . 1 . 1 150 150 LEU HD21 H 1 0.8060 0.0000 . 2 . . . . . 149 LEU HD21 . 53491 1 829 . 1 . 1 150 150 LEU HD22 H 1 0.8060 0.0000 . 2 . . . . . 149 LEU HD21 . 53491 1 830 . 1 . 1 150 150 LEU HD23 H 1 0.8060 0.0000 . 2 . . . . . 149 LEU HD21 . 53491 1 831 . 1 . 1 150 150 LEU C C 13 173.6830 0.0000 . 1 . . 22507 . . 149 LEU C . 53491 1 832 . 1 . 1 150 150 LEU CA C 13 53.9799 0.0000 . 1 . . 22508 . . 149 LEU CA . 53491 1 833 . 1 . 1 150 150 LEU CB C 13 43.0984 0.0000 . 1 . . 22513 . . 149 LEU CB . 53491 1 834 . 1 . 1 150 150 LEU CD1 C 13 23.0210 0.0000 . 2 . . . . . 149 LEU CD1 . 53491 1 835 . 1 . 1 150 150 LEU CD2 C 13 25.9800 0.0000 . 2 . . . . . 149 LEU CD2 . 53491 1 836 . 1 . 1 150 150 LEU N N 15 127.7087 0.0000 . 1 . . 12312 . . 149 LEU N . 53491 1 837 . 1 . 1 151 151 VAL H H 1 9.3371 0.0000 . 1 . . 13462 . . 150 VAL H . 53491 1 838 . 1 . 1 151 151 VAL HG11 H 1 0.5540 0.0000 . 2 . . . . . 150 VAL HG11 . 53491 1 839 . 1 . 1 151 151 VAL HG12 H 1 0.5540 0.0000 . 2 . . . . . 150 VAL HG11 . 53491 1 840 . 1 . 1 151 151 VAL HG13 H 1 0.5540 0.0000 . 2 . . . . . 150 VAL HG11 . 53491 1 841 . 1 . 1 151 151 VAL HG21 H 1 0.6560 0.0000 . 2 . . . . . 150 VAL HG21 . 53491 1 842 . 1 . 1 151 151 VAL HG22 H 1 0.6560 0.0000 . 2 . . . . . 150 VAL HG21 . 53491 1 843 . 1 . 1 151 151 VAL HG23 H 1 0.6560 0.0000 . 2 . . . . . 150 VAL HG21 . 53491 1 844 . 1 . 1 151 151 VAL C C 13 174.7766 0.0000 . 1 . . 22303 . . 150 VAL C . 53491 1 845 . 1 . 1 151 151 VAL CA C 13 61.6370 0.0000 . 1 . . 22304 . . 150 VAL CA . 53491 1 846 . 1 . 1 151 151 VAL CB C 13 30.4109 0.0000 . 1 . . 22307 . . 150 VAL CB . 53491 1 847 . 1 . 1 151 151 VAL CG1 C 13 23.0200 0.0000 . 2 . . . . . 150 VAL CG1 . 53491 1 848 . 1 . 1 151 151 VAL CG2 C 13 20.6450 0.0000 . 2 . . . . . 150 VAL CG2 . 53491 1 849 . 1 . 1 151 151 VAL N N 15 129.7100 0.0000 . 1 . . 13464 . . 150 VAL N . 53491 1 850 . 1 . 1 152 152 LYS H H 1 8.8429 0.0000 . 1 . . 13573 . . 151 LYS H . 53491 1 851 . 1 . 1 152 152 LYS CA C 13 55.8692 0.0000 . 1 . . 25667 . . 151 LYS CA . 53491 1 852 . 1 . 1 152 152 LYS CB C 13 36.6301 0.0000 . 1 . . 25669 . . 151 LYS CB . 53491 1 853 . 1 . 1 152 152 LYS N N 15 126.8339 0.0000 . 1 . . 13575 . . 151 LYS N . 53491 1 854 . 1 . 1 153 153 ASP H H 1 8.0591 0.0000 . 1 . . 18883 . . 152 ASP H . 53491 1 855 . 1 . 1 153 153 ASP C C 13 172.2706 0.0000 . 1 . . 23731 . . 152 ASP C . 53491 1 856 . 1 . 1 153 153 ASP CA C 13 55.3718 0.0000 . 1 . . 23732 . . 152 ASP CA . 53491 1 857 . 1 . 1 153 153 ASP CB C 13 36.6578 0.0000 . 1 . . 23736 . . 152 ASP CB . 53491 1 858 . 1 . 1 153 153 ASP N N 15 120.5967 0.0000 . 1 . . 18885 . . 152 ASP N . 53491 1 859 . 1 . 1 154 154 TYR H H 1 7.7272 0.0000 . 1 . . 14317 . . 153 TYR H . 53491 1 860 . 1 . 1 154 154 TYR C C 13 174.1104 0.0000 . 1 . . 24781 . . 153 TYR C . 53491 1 861 . 1 . 1 154 154 TYR CA C 13 54.1751 0.0000 . 1 . . 24788 . . 153 TYR CA . 53491 1 862 . 1 . 1 154 154 TYR CB C 13 41.4793 0.0000 . 1 . . 24787 . . 153 TYR CB . 53491 1 863 . 1 . 1 154 154 TYR N N 15 113.8953 0.0000 . 1 . . 14319 . . 153 TYR N . 53491 1 864 . 1 . 1 155 155 PHE H H 1 9.3593 0.0000 . 1 . . 16057 . . 154 PHE H . 53491 1 865 . 1 . 1 155 155 PHE C C 13 173.4841 0.0000 . 1 . . 23743 . . 154 PHE C . 53491 1 866 . 1 . 1 155 155 PHE CA C 13 57.5979 0.0000 . 1 . . 23745 . . 154 PHE CA . 53491 1 867 . 1 . 1 155 155 PHE CB C 13 43.0411 0.0000 . 1 . . 23751 . . 154 PHE CB . 53491 1 868 . 1 . 1 155 155 PHE N N 15 120.6431 0.0000 . 1 . . 16059 . . 154 PHE N . 53491 1 869 . 1 . 1 158 158 PRO C C 13 176.2789 0.0000 . 1 . . 24455 . . 157 PRO C . 53491 1 870 . 1 . 1 158 158 PRO CA C 13 61.8677 0.0000 . 1 . . 24450 . . 157 PRO CA . 53491 1 871 . 1 . 1 158 158 PRO CB C 13 34.2766 0.0000 . 1 . . 24452 . . 157 PRO CB . 53491 1 872 . 1 . 1 159 159 VAL H H 1 7.9376 0.0000 . 1 . . 16345 . . 158 VAL H . 53491 1 873 . 1 . 1 159 159 VAL HG11 H 1 0.3090 0.0000 . 2 . . . . . 158 VAL HG11 . 53491 1 874 . 1 . 1 159 159 VAL HG12 H 1 0.3090 0.0000 . 2 . . . . . 158 VAL HG11 . 53491 1 875 . 1 . 1 159 159 VAL HG13 H 1 0.3090 0.0000 . 2 . . . . . 158 VAL HG11 . 53491 1 876 . 1 . 1 159 159 VAL HG21 H 1 0.3160 0.0000 . 2 . . . . . 158 VAL HG21 . 53491 1 877 . 1 . 1 159 159 VAL HG22 H 1 0.3160 0.0000 . 2 . . . . . 158 VAL HG21 . 53491 1 878 . 1 . 1 159 159 VAL HG23 H 1 0.3160 0.0000 . 2 . . . . . 158 VAL HG21 . 53491 1 879 . 1 . 1 159 159 VAL C C 13 174.5452 0.0000 . 1 . . 24457 . . 158 VAL C . 53491 1 880 . 1 . 1 159 159 VAL CA C 13 59.9644 0.0000 . 1 . . 24460 . . 158 VAL CA . 53491 1 881 . 1 . 1 159 159 VAL CG1 C 13 21.3040 0.0000 . 2 . . . . . 158 VAL CG1 . 53491 1 882 . 1 . 1 159 159 VAL CG2 C 13 21.2690 0.0000 . 2 . . . . . 158 VAL CG2 . 53491 1 883 . 1 . 1 159 159 VAL N N 15 115.6107 0.0000 . 1 . . 16347 . . 158 VAL N . 53491 1 884 . 1 . 1 160 160 THR H H 1 8.3025 0.0000 . 1 . . 13027 . . 159 THR H . 53491 1 885 . 1 . 1 160 160 THR C C 13 173.5600 0.0000 . 1 . . 24277 . . 159 THR C . 53491 1 886 . 1 . 1 160 160 THR CA C 13 60.5419 0.0000 . 1 . . 24283 . . 159 THR CA . 53491 1 887 . 1 . 1 160 160 THR CB C 13 70.1811 0.0000 . 1 . . 24284 . . 159 THR CB . 53491 1 888 . 1 . 1 160 160 THR N N 15 117.4430 0.0000 . 1 . . 13029 . . 159 THR N . 53491 1 889 . 1 . 1 161 161 VAL H H 1 8.6922 0.0000 . 1 . . 15661 . . 160 VAL H . 53491 1 890 . 1 . 1 161 161 VAL HG11 H 1 0.7530 0.0000 . 2 . . . . . 160 VAL HG11 . 53491 1 891 . 1 . 1 161 161 VAL HG12 H 1 0.7530 0.0000 . 2 . . . . . 160 VAL HG11 . 53491 1 892 . 1 . 1 161 161 VAL HG13 H 1 0.7530 0.0000 . 2 . . . . . 160 VAL HG11 . 53491 1 893 . 1 . 1 161 161 VAL HG21 H 1 0.5680 0.0000 . 2 . . . . . 160 VAL HG21 . 53491 1 894 . 1 . 1 161 161 VAL HG22 H 1 0.5680 0.0000 . 2 . . . . . 160 VAL HG21 . 53491 1 895 . 1 . 1 161 161 VAL HG23 H 1 0.5680 0.0000 . 2 . . . . . 160 VAL HG21 . 53491 1 896 . 1 . 1 161 161 VAL C C 13 175.2133 0.0000 . 1 . . 23013 . . 160 VAL C . 53491 1 897 . 1 . 1 161 161 VAL CA C 13 60.5809 0.0000 . 1 . . 23011 . . 160 VAL CA . 53491 1 898 . 1 . 1 161 161 VAL CB C 13 33.6043 0.0000 . 1 . . 23020 . . 160 VAL CB . 53491 1 899 . 1 . 1 161 161 VAL CG1 C 13 21.8020 0.0000 . 2 . . . . . 160 VAL CG1 . 53491 1 900 . 1 . 1 161 161 VAL CG2 C 13 20.9480 0.0000 . 2 . . . . . 160 VAL CG2 . 53491 1 901 . 1 . 1 161 161 VAL N N 15 124.6672 0.0000 . 1 . . 15663 . . 160 VAL N . 53491 1 902 . 1 . 1 162 162 SER H H 1 8.8015 0.0000 . 1 . . 15832 . . 161 SER H . 53491 1 903 . 1 . 1 162 162 SER C C 13 171.0851 0.0000 . 1 . . 23260 . . 161 SER C . 53491 1 904 . 1 . 1 162 162 SER CA C 13 56.1037 0.0000 . 1 . . 23266 . . 161 SER CA . 53491 1 905 . 1 . 1 162 162 SER CB C 13 66.2987 0.0000 . 1 . . 23264 . . 161 SER CB . 53491 1 906 . 1 . 1 162 162 SER N N 15 123.1844 0.0000 . 1 . . 15834 . . 161 SER N . 53491 1 907 . 1 . 1 163 163 TRP H H 1 9.1741 0.0000 . 1 . . 16093 . . 162 TRP H . 53491 1 908 . 1 . 1 163 163 TRP C C 13 177.5502 0.0000 . 1 . . 23834 . . 162 TRP C . 53491 1 909 . 1 . 1 163 163 TRP CA C 13 56.1324 0.0000 . 1 . . 30983 . . 162 TRP CA . 53491 1 910 . 1 . 1 163 163 TRP CB C 13 30.7505 0.0000 . 1 . . 23839 . . 162 TRP CB . 53491 1 911 . 1 . 1 163 163 TRP N N 15 120.0439 0.0000 . 1 . . 16095 . . 162 TRP N . 53491 1 912 . 1 . 1 164 164 ASN H H 1 10.4435 0.0000 . 1 . . 13621 . . 163 ASN H . 53491 1 913 . 1 . 1 164 164 ASN C C 13 177.0147 0.0000 . 1 . . 49203 . . 163 ASN C . 53491 1 914 . 1 . 1 164 164 ASN CA C 13 53.7058 0.0000 . 1 . . 49196 . . 163 ASN CA . 53491 1 915 . 1 . 1 164 164 ASN CB C 13 35.5310 0.0000 . 1 . . 49191 . . 163 ASN CB . 53491 1 916 . 1 . 1 164 164 ASN N N 15 125.8510 0.0000 . 1 . . 13623 . . 163 ASN N . 53491 1 917 . 1 . 1 165 165 SER H H 1 9.6226 0.0000 . 1 . . 16618 . . 164 SER H . 53491 1 918 . 1 . 1 165 165 SER C C 13 174.7322 0.0000 . 1 . . 49206 . . 164 SER C . 53491 1 919 . 1 . 1 165 165 SER CA C 13 58.5731 0.0000 . 1 . . 49195 . . 164 SER CA . 53491 1 920 . 1 . 1 165 165 SER CB C 13 60.8561 0.0000 . 1 . . 49194 . . 164 SER CB . 53491 1 921 . 1 . 1 165 165 SER N N 15 112.2691 0.0000 . 1 . . 16620 . . 164 SER N . 53491 1 922 . 1 . 1 166 166 GLY H H 1 7.7877 0.0000 . 1 . . 14521 . . 165 GLY H . 53491 1 923 . 1 . 1 166 166 GLY C C 13 174.3859 0.0000 . 1 . . 49189 . . 165 GLY C . 53491 1 924 . 1 . 1 166 166 GLY CA C 13 44.0336 0.0000 . 1 . . 25550 . . 165 GLY CA . 53491 1 925 . 1 . 1 166 166 GLY N N 15 106.1371 0.0000 . 1 . . 14523 . . 165 GLY N . 53491 1 926 . 1 . 1 167 167 ALA H H 1 7.6829 0.0000 . 1 . . 18904 . . 166 ALA H . 53491 1 927 . 1 . 1 167 167 ALA C C 13 177.4061 0.0000 . 1 . . 23529 . . 166 ALA C . 53491 1 928 . 1 . 1 167 167 ALA CA C 13 52.9866 0.0000 . 1 . . 23528 . . 166 ALA CA . 53491 1 929 . 1 . 1 167 167 ALA CB C 13 18.5237 0.0000 . 1 . . 23534 . . 166 ALA CB . 53491 1 930 . 1 . 1 167 167 ALA N N 15 121.4316 0.0000 . 1 . . 18906 . . 166 ALA N . 53491 1 931 . 1 . 1 168 168 LEU H H 1 7.1315 0.0000 . 1 . . 12916 . . 167 LEU H . 53491 1 932 . 1 . 1 168 168 LEU HD11 H 1 0.8350 0.0000 . 2 . . . . . 167 LEU HD11 . 53491 1 933 . 1 . 1 168 168 LEU HD12 H 1 0.8350 0.0000 . 2 . . . . . 167 LEU HD11 . 53491 1 934 . 1 . 1 168 168 LEU HD13 H 1 0.8350 0.0000 . 2 . . . . . 167 LEU HD11 . 53491 1 935 . 1 . 1 168 168 LEU HD21 H 1 1.0140 0.0000 . 2 . . . . . 167 LEU HD21 . 53491 1 936 . 1 . 1 168 168 LEU HD22 H 1 1.0140 0.0000 . 2 . . . . . 167 LEU HD21 . 53491 1 937 . 1 . 1 168 168 LEU HD23 H 1 1.0140 0.0000 . 2 . . . . . 167 LEU HD21 . 53491 1 938 . 1 . 1 168 168 LEU C C 13 174.6430 0.0000 . 1 . . 23843 . . 167 LEU C . 53491 1 939 . 1 . 1 168 168 LEU CA C 13 53.8781 0.0000 . 1 . . 23849 . . 167 LEU CA . 53491 1 940 . 1 . 1 168 168 LEU CB C 13 41.8662 0.0000 . 1 . . 23852 . . 167 LEU CB . 53491 1 941 . 1 . 1 168 168 LEU CD1 C 13 26.2700 0.0000 . 2 . . . . . 167 LEU CD1 . 53491 1 942 . 1 . 1 168 168 LEU CD2 C 13 23.8550 0.0000 . 2 . . . . . 167 LEU CD2 . 53491 1 943 . 1 . 1 168 168 LEU N N 15 119.5163 0.0000 . 1 . . 12918 . . 167 LEU N . 53491 1 944 . 1 . 1 169 169 THR H H 1 8.5572 0.0000 . 1 . . 19813 . . 168 THR H . 53491 1 945 . 1 . 1 169 169 THR C C 13 175.2231 0.0000 . 1 . . 24595 . . 168 THR C . 53491 1 946 . 1 . 1 169 169 THR CA C 13 61.1183 0.0000 . 1 . . 33347 . . 168 THR CA . 53491 1 947 . 1 . 1 169 169 THR CB C 13 69.8469 0.0000 . 1 . . 33366 . . 168 THR CB . 53491 1 948 . 1 . 1 169 169 THR N N 15 114.8129 0.0000 . 1 . . 19815 . . 168 THR N . 53491 1 949 . 1 . 1 170 170 SER H H 1 7.9712 0.0000 . 1 . . 13996 . . 169 SER H . 53491 1 950 . 1 . 1 170 170 SER C C 13 174.6599 0.0000 . 1 . . 23783 . . 169 SER C . 53491 1 951 . 1 . 1 170 170 SER CA C 13 58.2032 0.0000 . 1 . . 23790 . . 169 SER CA . 53491 1 952 . 1 . 1 170 170 SER CB C 13 63.0125 0.0000 . 1 . . 23791 . . 169 SER CB . 53491 1 953 . 1 . 1 170 170 SER N N 15 120.3421 0.0000 . 1 . . 13998 . . 169 SER N . 53491 1 954 . 1 . 1 171 171 GLY H H 1 8.5535 0.0000 . 1 . . 13288 . . 170 GLY H . 53491 1 955 . 1 . 1 171 171 GLY C C 13 173.3725 0.0000 . 1 . . 25003 . . 170 GLY C . 53491 1 956 . 1 . 1 171 171 GLY CA C 13 45.3909 0.0000 . 1 . . 25008 . . 170 GLY CA . 53491 1 957 . 1 . 1 171 171 GLY N N 15 113.1346 0.0000 . 1 . . 13290 . . 170 GLY N . 53491 1 958 . 1 . 1 172 172 VAL H H 1 6.9208 0.0000 . 1 . . 14017 . . 171 VAL H . 53491 1 959 . 1 . 1 172 172 VAL HG11 H 1 0.8580 0.0000 . 2 . . . . . 171 VAL HG11 . 53491 1 960 . 1 . 1 172 172 VAL HG12 H 1 0.8580 0.0000 . 2 . . . . . 171 VAL HG11 . 53491 1 961 . 1 . 1 172 172 VAL HG13 H 1 0.8580 0.0000 . 2 . . . . . 171 VAL HG11 . 53491 1 962 . 1 . 1 172 172 VAL HG21 H 1 0.5040 0.0000 . 2 . . . . . 171 VAL HG21 . 53491 1 963 . 1 . 1 172 172 VAL HG22 H 1 0.5040 0.0000 . 2 . . . . . 171 VAL HG21 . 53491 1 964 . 1 . 1 172 172 VAL HG23 H 1 0.5040 0.0000 . 2 . . . . . 171 VAL HG21 . 53491 1 965 . 1 . 1 172 172 VAL C C 13 177.1141 0.0000 . 1 . . 23892 . . 171 VAL C . 53491 1 966 . 1 . 1 172 172 VAL CA C 13 61.2368 0.0000 . 1 . . 23890 . . 171 VAL CA . 53491 1 967 . 1 . 1 172 172 VAL CB C 13 32.4923 0.0000 . 1 . . 23900 . . 171 VAL CB . 53491 1 968 . 1 . 1 172 172 VAL CG1 C 13 21.0200 0.0000 . 2 . . . . . 171 VAL CG1 . 53491 1 969 . 1 . 1 172 172 VAL CG2 C 13 21.0120 0.0000 . 2 . . . . . 171 VAL CG2 . 53491 1 970 . 1 . 1 172 172 VAL N N 15 119.7797 0.0000 . 1 . . 14019 . . 171 VAL N . 53491 1 971 . 1 . 1 173 173 HIS H H 1 9.1687 0.0000 . 1 . . 12505 . . 172 HIS H . 53491 1 972 . 1 . 1 173 173 HIS C C 13 172.4452 0.0000 . 1 . . 22965 . . 172 HIS C . 53491 1 973 . 1 . 1 173 173 HIS CA C 13 54.0241 0.0000 . 1 . . 22971 . . 172 HIS CA . 53491 1 974 . 1 . 1 173 173 HIS CB C 13 29.8032 0.0000 . 1 . . 22970 . . 172 HIS CB . 53491 1 975 . 1 . 1 173 173 HIS N N 15 124.6781 0.0000 . 1 . . 12507 . . 172 HIS N . 53491 1 976 . 1 . 1 174 174 THR H H 1 8.7795 0.0000 . 1 . . 12553 . . 173 THR H . 53491 1 977 . 1 . 1 174 174 THR C C 13 173.6877 0.0000 . 1 . . 23063 . . 173 THR C . 53491 1 978 . 1 . 1 174 174 THR CA C 13 61.8523 0.0000 . 1 . . 23068 . . 173 THR CA . 53491 1 979 . 1 . 1 174 174 THR CB C 13 68.1393 0.0000 . 1 . . 23069 . . 173 THR CB . 53491 1 980 . 1 . 1 174 174 THR N N 15 124.1132 0.0000 . 1 . . 12555 . . 173 THR N . 53491 1 981 . 1 . 1 175 175 PHE H H 1 8.5706 0.0000 . 1 . . 17806 . . 174 PHE H . 53491 1 982 . 1 . 1 175 175 PHE C C 13 173.2769 0.0000 . 1 . . 22397 . . 174 PHE C . 53491 1 983 . 1 . 1 175 175 PHE CA C 13 58.4117 0.0000 . 1 . . 22396 . . 174 PHE CA . 53491 1 984 . 1 . 1 175 175 PHE CB C 13 38.0488 0.0000 . 1 . . 22402 . . 174 PHE CB . 53491 1 985 . 1 . 1 175 175 PHE N N 15 128.5862 0.0000 . 1 . . 17808 . . 174 PHE N . 53491 1 986 . 1 . 1 176 176 PRO C C 13 177.4220 0.0000 . 1 . . 22521 . . 175 PRO C . 53491 1 987 . 1 . 1 176 176 PRO CA C 13 62.5536 0.0000 . 1 . . 22519 . . 175 PRO CA . 53491 1 988 . 1 . 1 176 176 PRO CB C 13 31.2009 0.0000 . 1 . . 22518 . . 175 PRO CB . 53491 1 989 . 1 . 1 177 177 ALA H H 1 9.0842 0.0000 . 1 . . 13546 . . 176 ALA H . 53491 1 990 . 1 . 1 177 177 ALA C C 13 178.2385 0.0000 . 1 . . 22520 . . 176 ALA C . 53491 1 991 . 1 . 1 177 177 ALA CA C 13 52.2092 0.0000 . 1 . . 22517 . . 176 ALA CA . 53491 1 992 . 1 . 1 177 177 ALA CB C 13 20.1324 0.0000 . 1 . . 22525 . . 176 ALA CB . 53491 1 993 . 1 . 1 177 177 ALA N N 15 127.3996 0.0000 . 1 . . 13548 . . 176 ALA N . 53491 1 994 . 1 . 1 178 178 VAL H H 1 8.7530 0.0000 . 1 . . 14122 . . 177 VAL H . 53491 1 995 . 1 . 1 178 178 VAL HG11 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG11 . 53491 1 996 . 1 . 1 178 178 VAL HG12 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG11 . 53491 1 997 . 1 . 1 178 178 VAL HG13 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG11 . 53491 1 998 . 1 . 1 178 178 VAL HG21 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG21 . 53491 1 999 . 1 . 1 178 178 VAL HG22 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG21 . 53491 1 1000 . 1 . 1 178 178 VAL HG23 H 1 0.9120 0.0000 . 2 . . . . . 177 VAL HG21 . 53491 1 1001 . 1 . 1 178 178 VAL C C 13 174.7579 0.0000 . 1 . . 24115 . . 177 VAL C . 53491 1 1002 . 1 . 1 178 178 VAL CA C 13 59.6397 0.0000 . 1 . . 24124 . . 177 VAL CA . 53491 1 1003 . 1 . 1 178 178 VAL CB C 13 33.8569 0.0000 . 1 . . 24121 . . 177 VAL CB . 53491 1 1004 . 1 . 1 178 178 VAL CG1 C 13 20.5080 0.0000 . 2 . . . . . 177 VAL CG1 . 53491 1 1005 . 1 . 1 178 178 VAL CG2 C 13 21.5520 0.0000 . 2 . . . . . 177 VAL CG2 . 53491 1 1006 . 1 . 1 178 178 VAL N N 15 118.0110 0.0000 . 1 . . 14124 . . 177 VAL N . 53491 1 1007 . 1 . 1 179 179 LEU H H 1 8.5467 0.0000 . 1 . . 13555 . . 178 LEU H . 53491 1 1008 . 1 . 1 179 179 LEU HD11 H 1 0.1190 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 1 1009 . 1 . 1 179 179 LEU HD12 H 1 0.1190 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 1 1010 . 1 . 1 179 179 LEU HD13 H 1 0.1190 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 1 1011 . 1 . 1 179 179 LEU HD21 H 1 0.7040 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 1 1012 . 1 . 1 179 179 LEU HD22 H 1 0.7040 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 1 1013 . 1 . 1 179 179 LEU HD23 H 1 0.7040 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 1 1014 . 1 . 1 179 179 LEU C C 13 176.8164 0.0000 . 1 . . 22530 . . 178 LEU C . 53491 1 1015 . 1 . 1 179 179 LEU CA C 13 54.0124 0.0000 . 1 . . 26187 . . 178 LEU CA . 53491 1 1016 . 1 . 1 179 179 LEU CB C 13 41.1821 0.0000 . 1 . . 22535 . . 178 LEU CB . 53491 1 1017 . 1 . 1 179 179 LEU CD1 C 13 21.7040 0.0000 . 2 . . . . . 178 LEU CD1 . 53491 1 1018 . 1 . 1 179 179 LEU CD2 C 13 25.5240 0.0000 . 2 . . . . . 178 LEU CD2 . 53491 1 1019 . 1 . 1 179 179 LEU N N 15 127.5046 0.0000 . 1 . . 13557 . . 178 LEU N . 53491 1 1020 . 1 . 1 180 180 GLN H H 1 8.1576 0.0000 . 1 . . 13627 . . 179 GLN H . 53491 1 1021 . 1 . 1 180 180 GLN C C 13 178.1714 0.0000 . 1 . . 22718 . . 179 GLN C . 53491 1 1022 . 1 . 1 180 180 GLN CA C 13 54.8253 0.0000 . 1 . . 27018 . . 179 GLN CA . 53491 1 1023 . 1 . 1 180 180 GLN CB C 13 31.8762 0.0000 . 1 . . 22725 . . 179 GLN CB . 53491 1 1024 . 1 . 1 180 180 GLN N N 15 125.9378 0.0000 . 1 . . 13629 . . 179 GLN N . 53491 1 1025 . 1 . 1 181 181 SER H H 1 9.1046 0.0000 . 1 . . 16126 . . 180 SER H . 53491 1 1026 . 1 . 1 181 181 SER C C 13 178.1685 0.0000 . 1 . . 31225 . . 180 SER C . 53491 1 1027 . 1 . 1 181 181 SER CA C 13 60.7201 0.0000 . 1 . . 23916 . . 180 SER CA . 53491 1 1028 . 1 . 1 181 181 SER CB C 13 61.8677 0.0000 . 1 . . 23923 . . 180 SER CB . 53491 1 1029 . 1 . 1 181 181 SER N N 15 119.3342 0.0000 . 1 . . 16128 . . 180 SER N . 53491 1 1030 . 1 . 1 182 182 SER H H 1 7.2419 0.0000 . 1 . . 28101 . . 181 SER H . 53491 1 1031 . 1 . 1 182 182 SER C C 13 175.5013 0.0000 . 1 . . 47787 . . 181 SER C . 53491 1 1032 . 1 . 1 182 182 SER CA C 13 57.3591 0.0000 . 1 . . 48036 . . 181 SER CA . 53491 1 1033 . 1 . 1 182 182 SER CB C 13 63.7407 0.0000 . 1 . . 48033 . . 181 SER CB . 53491 1 1034 . 1 . 1 182 182 SER N N 15 113.3669 0.0000 . 1 . . 28103 . . 181 SER N . 53491 1 1035 . 1 . 1 183 183 GLY H H 1 8.0611 0.0000 . 1 . . 13330 . . 182 GLY H . 53491 1 1036 . 1 . 1 183 183 GLY C C 13 171.6161 0.0000 . 1 . . 25329 . . 182 GLY C . 53491 1 1037 . 1 . 1 183 183 GLY CA C 13 44.5487 0.0000 . 1 . . 25335 . . 182 GLY CA . 53491 1 1038 . 1 . 1 183 183 GLY N N 15 110.2088 0.0000 . 1 . . 13332 . . 182 GLY N . 53491 1 1039 . 1 . 1 184 184 LEU H H 1 6.7423 0.0000 . 1 . . 13120 . . 183 LEU H . 53491 1 1040 . 1 . 1 184 184 LEU HD11 H 1 0.5870 0.0000 . 2 . . . . . 183 LEU HD11 . 53491 1 1041 . 1 . 1 184 184 LEU HD12 H 1 0.5870 0.0000 . 2 . . . . . 183 LEU HD11 . 53491 1 1042 . 1 . 1 184 184 LEU HD13 H 1 0.5870 0.0000 . 2 . . . . . 183 LEU HD11 . 53491 1 1043 . 1 . 1 184 184 LEU HD21 H 1 0.6170 0.0000 . 2 . . . . . 183 LEU HD21 . 53491 1 1044 . 1 . 1 184 184 LEU HD22 H 1 0.6170 0.0000 . 2 . . . . . 183 LEU HD21 . 53491 1 1045 . 1 . 1 184 184 LEU HD23 H 1 0.6170 0.0000 . 2 . . . . . 183 LEU HD21 . 53491 1 1046 . 1 . 1 184 184 LEU C C 13 177.2288 0.0000 . 1 . . 24495 . . 183 LEU C . 53491 1 1047 . 1 . 1 184 184 LEU CA C 13 51.7944 0.0000 . 1 . . 24505 . . 183 LEU CA . 53491 1 1048 . 1 . 1 184 184 LEU CB C 13 43.0639 0.0000 . 1 . . 24503 . . 183 LEU CB . 53491 1 1049 . 1 . 1 184 184 LEU CD1 C 13 23.3470 0.0000 . 2 . . . . . 183 LEU CD1 . 53491 1 1050 . 1 . 1 184 184 LEU CD2 C 13 25.1340 0.0000 . 2 . . . . . 183 LEU CD2 . 53491 1 1051 . 1 . 1 184 184 LEU N N 15 115.6302 0.0000 . 1 . . 13122 . . 183 LEU N . 53491 1 1052 . 1 . 1 185 185 TYR H H 1 9.0049 0.0000 . 1 . . 18445 . . 184 TYR H . 53491 1 1053 . 1 . 1 185 185 TYR C C 13 176.5752 0.0000 . 1 . . 23235 . . 184 TYR C . 53491 1 1054 . 1 . 1 185 185 TYR CA C 13 58.5429 0.0000 . 1 . . 23240 . . 184 TYR CA . 53491 1 1055 . 1 . 1 185 185 TYR CB C 13 39.3377 0.0000 . 1 . . 23241 . . 184 TYR CB . 53491 1 1056 . 1 . 1 185 185 TYR N N 15 123.1330 0.0000 . 1 . . 18447 . . 184 TYR N . 53491 1 1057 . 1 . 1 186 186 SER H H 1 8.2907 0.0000 . 1 . . 14434 . . 185 SER H . 53491 1 1058 . 1 . 1 186 186 SER C C 13 172.5883 0.0000 . 1 . . 25148 . . 185 SER C . 53491 1 1059 . 1 . 1 186 186 SER CA C 13 57.2358 0.0000 . 1 . . 25146 . . 185 SER CA . 53491 1 1060 . 1 . 1 186 186 SER CB C 13 65.6390 0.0000 . 1 . . 25155 . . 185 SER CB . 53491 1 1061 . 1 . 1 186 186 SER N N 15 111.8276 0.0000 . 1 . . 14436 . . 185 SER N . 53491 1 1062 . 1 . 1 187 187 LEU H H 1 9.4702 0.0000 . 1 . . 13618 . . 186 LEU H . 53491 1 1063 . 1 . 1 187 187 LEU HD11 H 1 0.8850 0.0000 . 2 . . . . . 186 LEU HD11 . 53491 1 1064 . 1 . 1 187 187 LEU HD12 H 1 0.8850 0.0000 . 2 . . . . . 186 LEU HD11 . 53491 1 1065 . 1 . 1 187 187 LEU HD13 H 1 0.8850 0.0000 . 2 . . . . . 186 LEU HD11 . 53491 1 1066 . 1 . 1 187 187 LEU HD21 H 1 0.8110 0.0000 . 2 . . . . . 186 LEU HD21 . 53491 1 1067 . 1 . 1 187 187 LEU HD22 H 1 0.8110 0.0000 . 2 . . . . . 186 LEU HD21 . 53491 1 1068 . 1 . 1 187 187 LEU HD23 H 1 0.8110 0.0000 . 2 . . . . . 186 LEU HD21 . 53491 1 1069 . 1 . 1 187 187 LEU C C 13 174.5570 0.0000 . 1 . . 22752 . . 186 LEU C . 53491 1 1070 . 1 . 1 187 187 LEU CA C 13 55.1672 0.0000 . 1 . . 22753 . . 186 LEU CA . 53491 1 1071 . 1 . 1 187 187 LEU CB C 13 44.2726 0.0000 . 1 . . 22760 . . 186 LEU CB . 53491 1 1072 . 1 . 1 187 187 LEU CD1 C 13 27.5200 0.0000 . 2 . . . . . 186 LEU CD1 . 53491 1 1073 . 1 . 1 187 187 LEU CD2 C 13 25.3930 0.0000 . 2 . . . . . 186 LEU CD2 . 53491 1 1074 . 1 . 1 187 187 LEU N N 15 125.8071 0.0000 . 1 . . 13620 . . 186 LEU N . 53491 1 1075 . 1 . 1 188 188 SER H H 1 7.3341 0.0000 . 1 . . 19894 . . 187 SER H . 53491 1 1076 . 1 . 1 188 188 SER C C 13 172.5643 0.0000 . 1 . . 24656 . . 187 SER C . 53491 1 1077 . 1 . 1 188 188 SER CA C 13 57.6540 0.0000 . 1 . . 24657 . . 187 SER CA . 53491 1 1078 . 1 . 1 188 188 SER CB C 13 65.6817 0.0000 . 1 . . 24662 . . 187 SER CB . 53491 1 1079 . 1 . 1 188 188 SER N N 15 114.4067 0.0000 . 1 . . 19896 . . 187 SER N . 53491 1 1080 . 1 . 1 189 189 SER H H 1 8.5988 0.0000 . 1 . . 16327 . . 188 SER H . 53491 1 1081 . 1 . 1 189 189 SER C C 13 174.1889 0.0000 . 1 . . 24430 . . 188 SER C . 53491 1 1082 . 1 . 1 189 189 SER CA C 13 56.4766 0.0000 . 1 . . 24427 . . 188 SER CA . 53491 1 1083 . 1 . 1 189 189 SER CB C 13 63.8796 0.0000 . 1 . . 24433 . . 188 SER CB . 53491 1 1084 . 1 . 1 189 189 SER N N 15 116.2940 0.0000 . 1 . . 16329 . . 188 SER N . 53491 1 1085 . 1 . 1 190 190 VAL H H 1 9.1232 0.0000 . 1 . . 12649 . . 189 VAL H . 53491 1 1086 . 1 . 1 190 190 VAL HG11 H 1 1.0710 0.0000 . 2 . . . . . 189 VAL HG11 . 53491 1 1087 . 1 . 1 190 190 VAL HG12 H 1 1.0710 0.0000 . 2 . . . . . 189 VAL HG11 . 53491 1 1088 . 1 . 1 190 190 VAL HG13 H 1 1.0710 0.0000 . 2 . . . . . 189 VAL HG11 . 53491 1 1089 . 1 . 1 190 190 VAL HG21 H 1 0.8650 0.0000 . 2 . . . . . 189 VAL HG21 . 53491 1 1090 . 1 . 1 190 190 VAL HG22 H 1 0.8650 0.0000 . 2 . . . . . 189 VAL HG21 . 53491 1 1091 . 1 . 1 190 190 VAL HG23 H 1 0.8650 0.0000 . 2 . . . . . 189 VAL HG21 . 53491 1 1092 . 1 . 1 190 190 VAL C C 13 172.8937 0.0000 . 1 . . 23272 . . 189 VAL C . 53491 1 1093 . 1 . 1 190 190 VAL CA C 13 58.5828 0.0000 . 1 . . 23277 . . 189 VAL CA . 53491 1 1094 . 1 . 1 190 190 VAL CB C 13 35.4845 0.0000 . 1 . . 23278 . . 189 VAL CB . 53491 1 1095 . 1 . 1 190 190 VAL CG1 C 13 19.4210 0.0000 . 2 . . . . . 189 VAL CG1 . 53491 1 1096 . 1 . 1 190 190 VAL CG2 C 13 20.8540 0.0000 . 2 . . . . . 189 VAL CG2 . 53491 1 1097 . 1 . 1 190 190 VAL N N 15 123.0249 0.0000 . 1 . . 12651 . . 189 VAL N . 53491 1 1098 . 1 . 1 191 191 VAL H H 1 8.7914 0.0000 . 1 . . 18958 . . 190 VAL H . 53491 1 1099 . 1 . 1 191 191 VAL HG11 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 1 1100 . 1 . 1 191 191 VAL HG12 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 1 1101 . 1 . 1 191 191 VAL HG13 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 1 1102 . 1 . 1 191 191 VAL HG21 H 1 -0.4390 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 1 1103 . 1 . 1 191 191 VAL HG22 H 1 -0.4390 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 1 1104 . 1 . 1 191 191 VAL HG23 H 1 -0.4390 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 1 1105 . 1 . 1 191 191 VAL C C 13 174.1031 0.0000 . 1 . . 23673 . . 190 VAL C . 53491 1 1106 . 1 . 1 191 191 VAL CA C 13 58.5693 0.0000 . 1 . . 30269 . . 190 VAL CA . 53491 1 1107 . 1 . 1 191 191 VAL CB C 13 33.6003 0.0000 . 1 . . 23680 . . 190 VAL CB . 53491 1 1108 . 1 . 1 191 191 VAL CG1 C 13 19.9900 0.0000 . 2 . . . . . 190 VAL CG1 . 53491 1 1109 . 1 . 1 191 191 VAL CG2 C 13 18.7850 0.0000 . 2 . . . . . 190 VAL CG2 . 53491 1 1110 . 1 . 1 191 191 VAL N N 15 120.8193 0.0000 . 1 . . 18960 . . 190 VAL N . 53491 1 1111 . 1 . 1 192 192 THR H H 1 7.2684 0.0000 . 1 . . 14254 . . 191 THR H . 53491 1 1112 . 1 . 1 192 192 THR C C 13 174.3216 0.0000 . 1 . . 24558 . . 191 THR C . 53491 1 1113 . 1 . 1 192 192 THR CA C 13 58.7006 0.0000 . 1 . . 24557 . . 191 THR CA . 53491 1 1114 . 1 . 1 192 192 THR CB C 13 69.2968 0.0000 . 1 . . 24565 . . 191 THR CB . 53491 1 1115 . 1 . 1 192 192 THR N N 15 115.2261 0.0000 . 1 . . 14256 . . 191 THR N . 53491 1 1116 . 1 . 1 193 193 VAL H H 1 8.5034 0.0000 . 1 . . 19582 . . 192 VAL H . 53491 1 1117 . 1 . 1 193 193 VAL HG11 H 1 0.1980 0.0000 . 2 . . . . . 192 VAL HG11 . 53491 1 1118 . 1 . 1 193 193 VAL HG12 H 1 0.1980 0.0000 . 2 . . . . . 192 VAL HG11 . 53491 1 1119 . 1 . 1 193 193 VAL HG13 H 1 0.1980 0.0000 . 2 . . . . . 192 VAL HG11 . 53491 1 1120 . 1 . 1 193 193 VAL HG21 H 1 0.2210 0.0000 . 2 . . . . . 192 VAL HG21 . 53491 1 1121 . 1 . 1 193 193 VAL HG22 H 1 0.2210 0.0000 . 2 . . . . . 192 VAL HG21 . 53491 1 1122 . 1 . 1 193 193 VAL HG23 H 1 0.2210 0.0000 . 2 . . . . . 192 VAL HG21 . 53491 1 1123 . 1 . 1 193 193 VAL C C 13 172.5781 0.0000 . 1 . . 24221 . . 192 VAL C . 53491 1 1124 . 1 . 1 193 193 VAL CA C 13 56.9517 0.0000 . 1 . . 24222 . . 192 VAL CA . 53491 1 1125 . 1 . 1 193 193 VAL CB C 13 32.9749 0.0000 . 1 . . 24224 . . 192 VAL CB . 53491 1 1126 . 1 . 1 193 193 VAL CG1 C 13 17.3080 0.0000 . 2 . . . . . 192 VAL CG1 . 53491 1 1127 . 1 . 1 193 193 VAL CG2 C 13 21.6010 0.0000 . 2 . . . . . 192 VAL CG2 . 53491 1 1128 . 1 . 1 193 193 VAL N N 15 117.8503 0.0000 . 1 . . 19584 . . 192 VAL N . 53491 1 1129 . 1 . 1 196 196 SER C C 13 175.6565 0.0000 . 1 . . 24317 . . 195 SER C . 53491 1 1130 . 1 . 1 196 196 SER CA C 13 59.6681 0.0000 . 1 . . 24313 . . 195 SER CA . 53491 1 1131 . 1 . 1 196 196 SER CB C 13 61.9508 0.0000 . 1 . . 24315 . . 195 SER CB . 53491 1 1132 . 1 . 1 197 197 SER H H 1 7.8375 0.0000 . 1 . . 13054 . . 196 SER H . 53491 1 1133 . 1 . 1 197 197 SER C C 13 175.2020 0.0000 . 1 . . 24314 . . 196 SER C . 53491 1 1134 . 1 . 1 197 197 SER CA C 13 58.9570 0.0000 . 1 . . 24312 . . 196 SER CA . 53491 1 1135 . 1 . 1 197 197 SER CB C 13 64.1925 0.0000 . 1 . . 24319 . . 196 SER CB . 53491 1 1136 . 1 . 1 197 197 SER N N 15 116.9091 0.0000 . 1 . . 13056 . . 196 SER N . 53491 1 1137 . 1 . 1 198 198 LEU H H 1 7.3746 0.0000 . 1 . . 18526 . . 197 LEU H . 53491 1 1138 . 1 . 1 198 198 LEU HD11 H 1 0.8910 0.0000 . 2 . . . . . 197 LEU HD11 . 53491 1 1139 . 1 . 1 198 198 LEU HD12 H 1 0.8910 0.0000 . 2 . . . . . 197 LEU HD11 . 53491 1 1140 . 1 . 1 198 198 LEU HD13 H 1 0.8910 0.0000 . 2 . . . . . 197 LEU HD11 . 53491 1 1141 . 1 . 1 198 198 LEU HD21 H 1 0.8270 0.0000 . 2 . . . . . 197 LEU HD21 . 53491 1 1142 . 1 . 1 198 198 LEU HD22 H 1 0.8270 0.0000 . 2 . . . . . 197 LEU HD21 . 53491 1 1143 . 1 . 1 198 198 LEU HD23 H 1 0.8270 0.0000 . 2 . . . . . 197 LEU HD21 . 53491 1 1144 . 1 . 1 198 198 LEU C C 13 178.2419 0.0000 . 1 . . 23302 . . 197 LEU C . 53491 1 1145 . 1 . 1 198 198 LEU CA C 13 56.7632 0.0000 . 1 . . 23303 . . 197 LEU CA . 53491 1 1146 . 1 . 1 198 198 LEU CB C 13 40.5981 0.0000 . 1 . . 23311 . . 197 LEU CB . 53491 1 1147 . 1 . 1 198 198 LEU CD1 C 13 25.2950 0.0000 . 2 . . . . . 197 LEU CD1 . 53491 1 1148 . 1 . 1 198 198 LEU CD2 C 13 23.4580 0.0000 . 2 . . . . . 197 LEU CD2 . 53491 1 1149 . 1 . 1 198 198 LEU N N 15 122.7855 0.0000 . 1 . . 18528 . . 197 LEU N . 53491 1 1150 . 1 . 1 199 199 GLY H H 1 8.6070 0.0000 . 1 . . 14515 . . 198 GLY H . 53491 1 1151 . 1 . 1 199 199 GLY C C 13 174.9130 0.0000 . 1 . . 25519 . . 198 GLY C . 53491 1 1152 . 1 . 1 199 199 GLY CA C 13 45.0848 0.0000 . 1 . . 25524 . . 198 GLY CA . 53491 1 1153 . 1 . 1 199 199 GLY N N 15 107.4671 0.0000 . 1 . . 14517 . . 198 GLY N . 53491 1 1154 . 1 . 1 200 200 THR H H 1 7.4835 0.0000 . 1 . . 13333 . . 199 THR H . 53491 1 1155 . 1 . 1 200 200 THR C C 13 174.0984 0.0000 . 1 . . 25355 . . 199 THR C . 53491 1 1156 . 1 . 1 200 200 THR CA C 13 61.9052 0.0000 . 1 . . 25360 . . 199 THR CA . 53491 1 1157 . 1 . 1 200 200 THR CB C 13 69.7117 0.0000 . 1 . . 25361 . . 199 THR CB . 53491 1 1158 . 1 . 1 200 200 THR N N 15 110.2625 0.0000 . 1 . . 13335 . . 199 THR N . 53491 1 1159 . 1 . 1 201 201 GLN H H 1 7.8276 0.0000 . 1 . . 13861 . . 200 GLN H . 53491 1 1160 . 1 . 1 201 201 GLN C C 13 173.9086 0.0000 . 1 . . 23412 . . 200 GLN C . 53491 1 1161 . 1 . 1 201 201 GLN CA C 13 54.0190 0.0000 . 1 . . 23418 . . 200 GLN CA . 53491 1 1162 . 1 . 1 201 201 GLN CB C 13 30.1608 0.0000 . 1 . . 23417 . . 200 GLN CB . 53491 1 1163 . 1 . 1 201 201 GLN N N 15 122.0547 0.0000 . 1 . . 13863 . . 200 GLN N . 53491 1 1164 . 1 . 1 202 202 THR H H 1 7.9168 0.0000 . 1 . . 12979 . . 201 THR H . 53491 1 1165 . 1 . 1 202 202 THR C C 13 173.2116 0.0000 . 1 . . 24184 . . 201 THR C . 53491 1 1166 . 1 . 1 202 202 THR CA C 13 61.7399 0.0000 . 1 . . 24183 . . 201 THR CA . 53491 1 1167 . 1 . 1 202 202 THR CB C 13 69.8987 0.0000 . 1 . . 24191 . . 201 THR CB . 53491 1 1168 . 1 . 1 202 202 THR N N 15 118.0078 0.0000 . 1 . . 12981 . . 201 THR N . 53491 1 1169 . 1 . 1 203 203 TYR H H 1 9.2246 0.0000 . 1 . . 12328 . . 202 TYR H . 53491 1 1170 . 1 . 1 203 203 TYR C C 13 173.7505 0.0000 . 1 . . 22549 . . 202 TYR C . 53491 1 1171 . 1 . 1 203 203 TYR CA C 13 58.0776 0.0000 . 1 . . 22550 . . 202 TYR CA . 53491 1 1172 . 1 . 1 203 203 TYR CB C 13 39.4350 0.0000 . 1 . . 22554 . . 202 TYR CB . 53491 1 1173 . 1 . 1 203 203 TYR N N 15 127.4499 0.0000 . 1 . . 12330 . . 202 TYR N . 53491 1 1174 . 1 . 1 204 204 ILE H H 1 8.8947 0.0000 . 1 . . 12535 . . 203 ILE H . 53491 1 1175 . 1 . 1 204 204 ILE HD11 H 1 0.7160 0.0000 . 1 . . . . . 203 ILE HD11 . 53491 1 1176 . 1 . 1 204 204 ILE HD12 H 1 0.7160 0.0000 . 1 . . . . . 203 ILE HD11 . 53491 1 1177 . 1 . 1 204 204 ILE HD13 H 1 0.7160 0.0000 . 1 . . . . . 203 ILE HD11 . 53491 1 1178 . 1 . 1 204 204 ILE C C 13 174.3621 0.0000 . 1 . . 23001 . . 203 ILE C . 53491 1 1179 . 1 . 1 204 204 ILE CA C 13 58.6686 0.0000 . 1 . . 23007 . . 203 ILE CA . 53491 1 1180 . 1 . 1 204 204 ILE CB C 13 41.1867 0.0000 . 1 . . 23006 . . 203 ILE CB . 53491 1 1181 . 1 . 1 204 204 ILE CD1 C 13 12.9060 0.0000 . 1 . . . . . 203 ILE CD1 . 53491 1 1182 . 1 . 1 204 204 ILE N N 15 124.5074 0.0000 . 1 . . 12537 . . 203 ILE N . 53491 1 1183 . 1 . 1 205 205 CYS H H 1 8.7527 0.0000 . 1 . . 13720 . . 204 CYS H . 53491 1 1184 . 1 . 1 205 205 CYS C C 13 172.2086 0.0000 . 1 . . 23024 . . 204 CYS C . 53491 1 1185 . 1 . 1 205 205 CYS CA C 13 52.0147 0.0000 . 1 . . 23023 . . 204 CYS CA . 53491 1 1186 . 1 . 1 205 205 CYS CB C 13 43.0658 0.0000 . 1 . . 23032 . . 204 CYS CB . 53491 1 1187 . 1 . 1 205 205 CYS N N 15 124.2927 0.0000 . 1 . . 13722 . . 204 CYS N . 53491 1 1188 . 1 . 1 206 206 ASN H H 1 8.9022 0.0000 . 1 . . 12691 . . 205 ASN H . 53491 1 1189 . 1 . 1 206 206 ASN C C 13 174.2854 0.0000 . 1 . . 23337 . . 205 ASN C . 53491 1 1190 . 1 . 1 206 206 ASN CA C 13 51.4003 0.0000 . 1 . . 23336 . . 205 ASN CA . 53491 1 1191 . 1 . 1 206 206 ASN CB C 13 38.9138 0.0000 . 1 . . 23342 . . 205 ASN CB . 53491 1 1192 . 1 . 1 206 206 ASN N N 15 122.6697 0.0000 . 1 . . 12693 . . 205 ASN N . 53491 1 1193 . 1 . 1 207 207 VAL H H 1 9.2154 0.0000 . 1 . . 15535 . . 206 VAL H . 53491 1 1194 . 1 . 1 207 207 VAL HG11 H 1 0.6730 0.0000 . 2 . . . . . 206 VAL HG11 . 53491 1 1195 . 1 . 1 207 207 VAL HG12 H 1 0.6730 0.0000 . 2 . . . . . 206 VAL HG11 . 53491 1 1196 . 1 . 1 207 207 VAL HG13 H 1 0.6730 0.0000 . 2 . . . . . 206 VAL HG11 . 53491 1 1197 . 1 . 1 207 207 VAL HG21 H 1 0.5040 0.0000 . 2 . . . . . 206 VAL HG21 . 53491 1 1198 . 1 . 1 207 207 VAL HG22 H 1 0.5040 0.0000 . 2 . . . . . 206 VAL HG21 . 53491 1 1199 . 1 . 1 207 207 VAL HG23 H 1 0.5040 0.0000 . 2 . . . . . 206 VAL HG21 . 53491 1 1200 . 1 . 1 207 207 VAL C C 13 174.5150 0.0000 . 1 . . 22645 . . 206 VAL C . 53491 1 1201 . 1 . 1 207 207 VAL CA C 13 61.2493 0.0000 . 1 . . 22646 . . 206 VAL CA . 53491 1 1202 . 1 . 1 207 207 VAL CB C 13 33.0644 0.0000 . 1 . . 22651 . . 206 VAL CB . 53491 1 1203 . 1 . 1 207 207 VAL CG1 C 13 21.8440 0.0000 . 2 . . . . . 206 VAL CG1 . 53491 1 1204 . 1 . 1 207 207 VAL CG2 C 13 21.0120 0.0000 . 2 . . . . . 206 VAL CG2 . 53491 1 1205 . 1 . 1 207 207 VAL N N 15 126.5673 0.0000 . 1 . . 15537 . . 206 VAL N . 53491 1 1206 . 1 . 1 208 208 ASN H H 1 8.6353 0.0000 . 1 . . 12388 . . 207 ASN H . 53491 1 1207 . 1 . 1 208 208 ASN C C 13 173.6659 0.0000 . 1 . . 22694 . . 207 ASN C . 53491 1 1208 . 1 . 1 208 208 ASN CA C 13 51.7467 0.0000 . 1 . . 22696 . . 207 ASN CA . 53491 1 1209 . 1 . 1 208 208 ASN CB C 13 40.9326 0.0000 . 1 . . 22697 . . 207 ASN CB . 53491 1 1210 . 1 . 1 208 208 ASN N N 15 126.1073 0.0000 . 1 . . 12390 . . 207 ASN N . 53491 1 1211 . 1 . 1 209 209 HIS H H 1 8.8219 0.0000 . 1 . . 18052 . . 208 HIS H . 53491 1 1212 . 1 . 1 209 209 HIS C C 13 173.4348 0.0000 . 1 . . 22655 . . 208 HIS C . 53491 1 1213 . 1 . 1 209 209 HIS CA C 13 54.4370 0.0000 . 1 . . 26839 . . 208 HIS CA . 53491 1 1214 . 1 . 1 209 209 HIS CB C 13 32.5404 0.0000 . 1 . . 22662 . . 208 HIS CB . 53491 1 1215 . 1 . 1 209 209 HIS N N 15 126.4260 0.0000 . 1 . . 18054 . . 208 HIS N . 53491 1 1216 . 1 . 1 210 210 LYS H H 1 8.9848 0.0000 . 1 . . 17782 . . 209 LYS H . 53491 1 1217 . 1 . 1 210 210 LYS C C 13 177.0161 0.0000 . 1 . . 22472 . . 209 LYS C . 53491 1 1218 . 1 . 1 210 210 LYS CA C 13 59.9643 0.0000 . 1 . . 22465 . . 209 LYS CA . 53491 1 1219 . 1 . 1 210 210 LYS CB C 13 28.7738 0.0000 . 1 . . 22471 . . 209 LYS CB . 53491 1 1220 . 1 . 1 210 210 LYS N N 15 127.9408 0.0000 . 1 . . 17784 . . 209 LYS N . 53491 1 1221 . 1 . 1 211 211 PRO C C 13 175.8621 0.0000 . 1 . . 25533 . . 210 PRO C . 53491 1 1222 . 1 . 1 211 211 PRO CA C 13 65.7829 0.0000 . 1 . . 25531 . . 210 PRO CA . 53491 1 1223 . 1 . 1 211 211 PRO CB C 13 31.0719 0.0000 . 1 . . 25530 . . 210 PRO CB . 53491 1 1224 . 1 . 1 212 212 SER H H 1 6.3733 0.0000 . 1 . . 13381 . . 211 SER H . 53491 1 1225 . 1 . 1 212 212 SER C C 13 174.1284 0.0000 . 1 . . 25529 . . 211 SER C . 53491 1 1226 . 1 . 1 212 212 SER CA C 13 56.9606 0.0000 . 1 . . 25535 . . 211 SER CA . 53491 1 1227 . 1 . 1 212 212 SER CB C 13 63.6631 0.0000 . 1 . . 25537 . . 211 SER CB . 53491 1 1228 . 1 . 1 212 212 SER N N 15 106.1950 0.0000 . 1 . . 13383 . . 211 SER N . 53491 1 1229 . 1 . 1 213 213 ASN H H 1 8.1689 0.0000 . 1 . . 13948 . . 212 ASN H . 53491 1 1230 . 1 . 1 213 213 ASN C C 13 174.4419 0.0000 . 1 . . 23661 . . 212 ASN C . 53491 1 1231 . 1 . 1 213 213 ASN CA C 13 54.1521 0.0000 . 1 . . 30235 . . 212 ASN CA . 53491 1 1232 . 1 . 1 213 213 ASN CB C 13 37.2890 0.0000 . 1 . . 23666 . . 212 ASN CB . 53491 1 1233 . 1 . 1 213 213 ASN N N 15 121.0285 0.0000 . 1 . . 13950 . . 212 ASN N . 53491 1 1234 . 1 . 1 214 214 THR H H 1 7.7898 0.0000 . 1 . . 16498 . . 213 THR H . 53491 1 1235 . 1 . 1 214 214 THR C C 13 173.5576 0.0000 . 1 . . 24848 . . 213 THR C . 53491 1 1236 . 1 . 1 214 214 THR CA C 13 62.7995 0.0000 . 1 . . 24844 . . 213 THR CA . 53491 1 1237 . 1 . 1 214 214 THR CB C 13 69.3173 0.0000 . 1 . . 24851 . . 213 THR CB . 53491 1 1238 . 1 . 1 214 214 THR N N 15 113.8328 0.0000 . 1 . . 16500 . . 213 THR N . 53491 1 1239 . 1 . 1 215 215 LYS H H 1 8.4844 0.0000 . 1 . . 17617 . . 214 LYS H . 53491 1 1240 . 1 . 1 215 215 LYS C C 13 174.9976 0.0000 . 1 . . 22262 . . 214 LYS C . 53491 1 1241 . 1 . 1 215 215 LYS CA C 13 55.3528 0.0000 . 1 . . 22263 . . 214 LYS CA . 53491 1 1242 . 1 . 1 215 215 LYS CB C 13 33.4821 0.0000 . 1 . . 22270 . . 214 LYS CB . 53491 1 1243 . 1 . 1 215 215 LYS N N 15 130.0162 0.0000 . 1 . . 17619 . . 214 LYS N . 53491 1 1244 . 1 . 1 216 216 VAL H H 1 8.6018 0.0000 . 1 . . 12514 . . 215 VAL H . 53491 1 1245 . 1 . 1 216 216 VAL HG11 H 1 0.7690 0.0000 . 2 . . . . . 215 VAL HG11 . 53491 1 1246 . 1 . 1 216 216 VAL HG12 H 1 0.7690 0.0000 . 2 . . . . . 215 VAL HG11 . 53491 1 1247 . 1 . 1 216 216 VAL HG13 H 1 0.7690 0.0000 . 2 . . . . . 215 VAL HG11 . 53491 1 1248 . 1 . 1 216 216 VAL HG21 H 1 0.7260 0.0000 . 2 . . . . . 215 VAL HG21 . 53491 1 1249 . 1 . 1 216 216 VAL HG22 H 1 0.7260 0.0000 . 2 . . . . . 215 VAL HG21 . 53491 1 1250 . 1 . 1 216 216 VAL HG23 H 1 0.7260 0.0000 . 2 . . . . . 215 VAL HG21 . 53491 1 1251 . 1 . 1 216 216 VAL C C 13 172.6340 0.0000 . 1 . . 22991 . . 215 VAL C . 53491 1 1252 . 1 . 1 216 216 VAL CA C 13 60.3049 0.0000 . 1 . . 22998 . . 215 VAL CA . 53491 1 1253 . 1 . 1 216 216 VAL CB C 13 35.9516 0.0000 . 1 . . 22996 . . 215 VAL CB . 53491 1 1254 . 1 . 1 216 216 VAL CG1 C 13 21.1360 0.0000 . 2 . . . . . 215 VAL CG1 . 53491 1 1255 . 1 . 1 216 216 VAL CG2 C 13 20.5730 0.0000 . 2 . . . . . 215 VAL CG2 . 53491 1 1256 . 1 . 1 216 216 VAL N N 15 124.5417 0.0000 . 1 . . 12516 . . 215 VAL N . 53491 1 1257 . 1 . 1 217 217 ASP H H 1 8.1520 0.0000 . 1 . . 17938 . . 216 ASP H . 53491 1 1258 . 1 . 1 217 217 ASP C C 13 175.5493 0.0000 . 1 . . 22668 . . 216 ASP C . 53491 1 1259 . 1 . 1 217 217 ASP CA C 13 52.0716 0.0000 . 1 . . 22676 . . 216 ASP CA . 53491 1 1260 . 1 . 1 217 217 ASP CB C 13 42.6386 0.0000 . 1 . . 22677 . . 216 ASP CB . 53491 1 1261 . 1 . 1 217 217 ASP N N 15 126.5551 0.0000 . 1 . . 17940 . . 216 ASP N . 53491 1 1262 . 1 . 1 218 218 LYS H H 1 8.5610 0.0000 . 1 . . 12583 . . 217 LYS H . 53491 1 1263 . 1 . 1 218 218 LYS C C 13 173.3692 0.0000 . 1 . . 23098 . . 217 LYS C . 53491 1 1264 . 1 . 1 218 218 LYS CA C 13 52.8368 0.0000 . 1 . . 23096 . . 217 LYS CA . 53491 1 1265 . 1 . 1 218 218 LYS CB C 13 34.3175 0.0000 . 1 . . 23103 . . 217 LYS CB . 53491 1 1266 . 1 . 1 218 218 LYS N N 15 123.7465 0.0000 . 1 . . 12585 . . 217 LYS N . 53491 1 1267 . 1 . 1 219 219 LYS H H 1 8.3776 0.0000 . 1 . . 18055 . . 218 LYS H . 53491 1 1268 . 1 . 1 219 219 LYS C C 13 175.6583 0.0000 . 1 . . 22797 . . 218 LYS C . 53491 1 1269 . 1 . 1 219 219 LYS CA C 13 55.8840 0.0000 . 1 . . 22795 . . 218 LYS CA . 53491 1 1270 . 1 . 1 219 219 LYS CB C 13 32.7003 0.0000 . 1 . . 22804 . . 218 LYS CB . 53491 1 1271 . 1 . 1 219 219 LYS N N 15 125.6169 0.0000 . 1 . . 18057 . . 218 LYS N . 53491 1 1272 . 1 . 1 220 220 ALA H H 1 8.8391 0.0000 . 1 . . 12172 . . 219 ALA H . 53491 1 1273 . 1 . 1 220 220 ALA C C 13 175.0079 0.0000 . 1 . . 22226 . . 219 ALA C . 53491 1 1274 . 1 . 1 220 220 ALA CA C 13 50.6756 0.0000 . 1 . . 22235 . . 219 ALA CA . 53491 1 1275 . 1 . 1 220 220 ALA CB C 13 18.6632 0.0000 . 1 . . 25765 . . 219 ALA CB . 53491 1 1276 . 1 . 1 220 220 ALA N N 15 131.3801 0.0000 . 1 . . 12174 . . 219 ALA N . 53491 1 1277 . 1 . 1 221 221 GLU H H 1 7.9184 0.0000 . 1 . . 13888 . . 220 GLU H . 53491 1 1278 . 1 . 1 221 221 GLU C C 13 173.3154 0.0000 . 1 . . 23491 . . 220 GLU C . 53491 1 1279 . 1 . 1 221 221 GLU CA C 13 52.8790 0.0000 . 1 . . 23485 . . 220 GLU CA . 53491 1 1280 . 1 . 1 221 221 GLU CB C 13 30.6827 0.0000 . 1 . . 23494 . . 220 GLU CB . 53491 1 1281 . 1 . 1 221 221 GLU N N 15 121.8245 0.0000 . 1 . . 13890 . . 220 GLU N . 53491 1 1282 . 1 . 1 222 222 PRO C C 13 176.1491 0.0000 . 1 . . 23180 . . 221 PRO C . 53491 1 1283 . 1 . 1 222 222 PRO CA C 13 62.5217 0.0000 . 1 . . 23175 . . 221 PRO CA . 53491 1 1284 . 1 . 1 222 222 PRO CB C 13 31.2987 0.0000 . 1 . . 23174 . . 221 PRO CB . 53491 1 1285 . 1 . 1 223 223 LYS H H 1 8.4419 0.0000 . 1 . . 15724 . . 222 LYS H . 53491 1 1286 . 1 . 1 223 223 LYS C C 13 176.5466 0.0000 . 1 . . 23178 . . 222 LYS C . 53491 1 1287 . 1 . 1 223 223 LYS CA C 13 55.4810 0.0000 . 1 . . 23184 . . 222 LYS CA . 53491 1 1288 . 1 . 1 223 223 LYS CB C 13 32.9949 0.0000 . 1 . . 23182 . . 222 LYS CB . 53491 1 1289 . 1 . 1 223 223 LYS N N 15 123.3852 0.0000 . 1 . . 15726 . . 222 LYS N . 53491 1 1290 . 1 . 1 224 224 SER H H 1 8.5273 0.0000 . 1 . . 19171 . . 223 SER H . 53491 1 1291 . 1 . 1 224 224 SER C C 13 174.7313 0.0000 . 1 . . 23856 . . 223 SER C . 53491 1 1292 . 1 . 1 224 224 SER CA C 13 57.6615 0.0000 . 1 . . 23861 . . 223 SER CA . 53491 1 1293 . 1 . 1 224 224 SER CB C 13 63.2409 0.0000 . 1 . . 23862 . . 223 SER CB . 53491 1 1294 . 1 . 1 224 224 SER N N 15 119.6603 0.0000 . 1 . . 19173 . . 223 SER N . 53491 1 1295 . 1 . 1 225 225 CYS H H 1 8.6026 0.0000 . 1 . . 13828 . . 224 CYS H . 53491 1 1296 . 1 . 1 225 225 CYS C C 13 174.3596 0.0000 . 1 . . 23318 . . 224 CYS C . 53491 1 1297 . 1 . 1 225 225 CYS CA C 13 55.2844 0.0000 . 1 . . 23324 . . 224 CYS CA . 53491 1 1298 . 1 . 1 225 225 CYS CB C 13 40.6886 0.0000 . 1 . . 23322 . . 224 CYS CB . 53491 1 1299 . 1 . 1 225 225 CYS N N 15 122.7124 0.0000 . 1 . . 13830 . . 224 CYS N . 53491 1 1300 . 1 . 1 226 226 ASP H H 1 8.3964 0.0000 . 1 . . 13840 . . 225 ASP H . 53491 1 1301 . 1 . 1 226 226 ASP C C 13 175.9808 0.0000 . 1 . . 25633 . . 225 ASP C . 53491 1 1302 . 1 . 1 226 226 ASP CA C 13 54.1497 0.0000 . 1 . . 25641 . . 225 ASP CA . 53491 1 1303 . 1 . 1 226 226 ASP CB C 13 40.6294 0.0000 . 1 . . 46591 . . 225 ASP CB . 53491 1 1304 . 1 . 1 226 226 ASP N N 15 122.6843 0.0000 . 1 . . 13842 . . 225 ASP N . 53491 1 1305 . 1 . 1 227 227 LYS H H 1 8.1957 0.0000 . 1 . . 12730 . . 226 LYS H . 53491 1 1306 . 1 . 1 227 227 LYS C C 13 176.8261 0.0000 . 1 . . 23431 . . 226 LYS C . 53491 1 1307 . 1 . 1 227 227 LYS CA C 13 55.8093 0.0000 . 1 . . 23443 . . 226 LYS CA . 53491 1 1308 . 1 . 1 227 227 LYS CB C 13 31.9680 0.0000 . 1 . . 23442 . . 226 LYS CB . 53491 1 1309 . 1 . 1 227 227 LYS N N 15 121.8446 0.0000 . 1 . . 12732 . . 226 LYS N . 53491 1 1310 . 1 . 1 228 228 THR H H 1 8.1116 0.0000 . 1 . . 13168 . . 227 THR H . 53491 1 1311 . 1 . 1 228 228 THR C C 13 173.8739 0.0000 . 1 . . 24539 . . 227 THR C . 53491 1 1312 . 1 . 1 228 228 THR CA C 13 61.8023 0.0000 . 1 . . 24544 . . 227 THR CA . 53491 1 1313 . 1 . 1 228 228 THR CB C 13 69.4211 0.0000 . 1 . . 24543 . . 227 THR CB . 53491 1 1314 . 1 . 1 228 228 THR N N 15 115.1556 0.0000 . 1 . . 13170 . . 227 THR N . 53491 1 1315 . 1 . 1 229 229 HIS H H 1 7.9098 0.0000 . 1 . . 16972 . . 228 HIS H . 53491 1 1316 . 1 . 1 229 229 HIS C C 13 178.6109 0.0000 . 1 . . 22824 . . 228 HIS C . 53491 1 1317 . 1 . 1 229 229 HIS CA C 13 56.6523 0.0000 . 1 . . 22827 . . 228 HIS CA . 53491 1 1318 . 1 . 1 229 229 HIS CB C 13 29.3597 0.0000 . 1 . . 22841 . . 228 HIS CB . 53491 1 1319 . 1 . 1 229 229 HIS N N 15 125.2900 0.0000 . 1 . . 16974 . . 228 HIS N . 53491 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53491 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Assigned_chem_shift_list.1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 53491 2 2 '3D HN(CA)CO' . . . 53491 2 3 '3D HNCA' . . . 53491 2 4 '3D HN(CO)CA' . . . 53491 2 5 '3D HNCACB' . . . 53491 2 6 '3D HN(CO)CACB' . . . 53491 2 7 '2D 1H-15N HSQC' . . . 53491 2 8 '2D 1H-15N TROSY' . . . 53491 2 9 '2D 1H-13C HSQC' . . . 53491 2 10 '3D CCH-TOCSY' . . . 53491 2 11 '3D CCH-TOCSY' . . . 53491 2 12 '3D HCCH-TOCSY' . . . 53491 2 13 '3D HCCH-TOCSY' . . . 53491 2 14 '3D HNCO' . . . 53491 2 15 '3D HN(CA)CO' . . . 53491 2 16 '3D HNCA' . . . 53491 2 17 '3D HN(CO)CA' . . . 53491 2 18 '3D HNCACB' . . . 53491 2 19 '3D HN(CO)CACB' . . . 53491 2 20 '2D 1H-15N HSQC' . . . 53491 2 21 '2D 1H-15N TROSY' . . . 53491 2 22 '2D 1H-13C HSQC' . . . 53491 2 23 '3D CCH-TOCSY' . . . 53491 2 24 '3D CCH-TOCSY' . . . 53491 2 25 '3D HCCH-TOCSY' . . . 53491 2 26 '3D HCCH-TOCSY' . . . 53491 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53491 2 2 $software_2 . . 53491 2 3 $software_3 . . 53491 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 2 2 GLN C C 13 174.9508 0.0000 . 1 . . 24802 . . 1 GLN C . 53491 2 2 . 2 . 2 2 2 GLN CA C 13 55.2325 0.0000 . 1 . . 24800 . . 1 GLN CA . 53491 2 3 . 2 . 2 2 2 GLN CB C 13 28.6447 0.0000 . 1 . . 24801 . . 1 GLN CB . 53491 2 4 . 2 . 2 3 3 ILE H H 1 8.3176 0.0000 . 1 . . 17228 . . 2 ILE H . 53491 2 5 . 2 . 2 3 3 ILE HD11 H 1 0.6340 0.0000 . 1 . . . . . 2 ILE HD11 . 53491 2 6 . 2 . 2 3 3 ILE HD12 H 1 0.6340 0.0000 . 1 . . . . . 2 ILE HD11 . 53491 2 7 . 2 . 2 3 3 ILE HD13 H 1 0.6340 0.0000 . 1 . . . . . 2 ILE HD11 . 53491 2 8 . 2 . 2 3 3 ILE C C 13 174.9853 0.0000 . 1 . . 24797 . . 2 ILE C . 53491 2 9 . 2 . 2 3 3 ILE CA C 13 61.4921 0.0000 . 1 . . 28680 . . 2 ILE CA . 53491 2 10 . 2 . 2 3 3 ILE CB C 13 37.4142 0.0000 . 1 . . 24796 . . 2 ILE CB . 53491 2 11 . 2 . 2 3 3 ILE CD1 C 13 12.7510 0.0000 . 1 . . . . . 2 ILE CD1 . 53491 2 12 . 2 . 2 3 3 ILE N N 15 126.2764 0.0000 . 1 . . 17230 . . 2 ILE N . 53491 2 13 . 2 . 2 4 4 VAL H H 1 8.5652 0.0000 . 1 . . 14048 . . 3 VAL H . 53491 2 14 . 2 . 2 4 4 VAL HG11 H 1 1.0190 0.0000 . 2 . . . . . 3 VAL HG11 . 53491 2 15 . 2 . 2 4 4 VAL HG12 H 1 1.0190 0.0000 . 2 . . . . . 3 VAL HG11 . 53491 2 16 . 2 . 2 4 4 VAL HG13 H 1 1.0190 0.0000 . 2 . . . . . 3 VAL HG11 . 53491 2 17 . 2 . 2 4 4 VAL HG21 H 1 0.9760 0.0000 . 2 . . . . . 3 VAL HG21 . 53491 2 18 . 2 . 2 4 4 VAL HG22 H 1 0.9760 0.0000 . 2 . . . . . 3 VAL HG21 . 53491 2 19 . 2 . 2 4 4 VAL HG23 H 1 0.9760 0.0000 . 2 . . . . . 3 VAL HG21 . 53491 2 20 . 2 . 2 4 4 VAL C C 13 176.0478 0.0000 . 1 . . 24448 . . 3 VAL C . 53491 2 21 . 2 . 2 4 4 VAL CA C 13 61.3012 0.0000 . 1 . . 24451 . . 3 VAL CA . 53491 2 22 . 2 . 2 4 4 VAL CB C 13 33.1758 0.0000 . 1 . . 24452 . . 3 VAL CB . 53491 2 23 . 2 . 2 4 4 VAL CG1 C 13 21.0070 0.0000 . 2 . . . . . 3 VAL CG1 . 53491 2 24 . 2 . 2 4 4 VAL CG2 C 13 21.1800 0.0000 . 2 . . . . . 3 VAL CG2 . 53491 2 25 . 2 . 2 4 4 VAL N N 15 129.9173 0.0000 . 1 . . 14050 . . 3 VAL N . 53491 2 26 . 2 . 2 5 5 LEU H H 1 8.9028 0.0000 . 1 . . 17078 . . 4 LEU H . 53491 2 27 . 2 . 2 5 5 LEU HD11 H 1 0.6910 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 2 28 . 2 . 2 5 5 LEU HD12 H 1 0.6910 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 2 29 . 2 . 2 5 5 LEU HD13 H 1 0.6910 0.0000 . 2 . . . . . 4 LEU HD11 . 53491 2 30 . 2 . 2 5 5 LEU HD21 H 1 0.9900 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 2 31 . 2 . 2 5 5 LEU HD22 H 1 0.9900 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 2 32 . 2 . 2 5 5 LEU HD23 H 1 0.9900 0.0000 . 2 . . . . . 4 LEU HD21 . 53491 2 33 . 2 . 2 5 5 LEU C C 13 176.1068 0.0000 . 1 . . 24499 . . 4 LEU C . 53491 2 34 . 2 . 2 5 5 LEU CA C 13 52.4622 0.0000 . 1 . . 24504 . . 4 LEU CA . 53491 2 35 . 2 . 2 5 5 LEU CB C 13 41.9420 0.0000 . 1 . . 24505 . . 4 LEU CB . 53491 2 36 . 2 . 2 5 5 LEU CD1 C 13 26.4670 0.0000 . 2 . . . . . 4 LEU CD1 . 53491 2 37 . 2 . 2 5 5 LEU CD2 C 13 23.4010 0.0000 . 2 . . . . . 4 LEU CD2 . 53491 2 38 . 2 . 2 5 5 LEU N N 15 128.8926 0.0000 . 1 . . 17080 . . 4 LEU N . 53491 2 39 . 2 . 2 6 6 SER H H 1 9.3889 0.0000 . 1 . . 14642 . . 5 SER H . 53491 2 40 . 2 . 2 6 6 SER C C 13 174.6539 0.0000 . 1 . . 26232 . . 5 SER C . 53491 2 41 . 2 . 2 6 6 SER CA C 13 56.2915 0.0000 . 1 . . 26238 . . 5 SER CA . 53491 2 42 . 2 . 2 6 6 SER CB C 13 63.7079 0.0000 . 1 . . 26241 . . 5 SER CB . 53491 2 43 . 2 . 2 6 6 SER N N 15 118.6764 0.0000 . 1 . . 14644 . . 5 SER N . 53491 2 44 . 2 . 2 7 7 GLN H H 1 9.5498 0.0000 . 1 . . 19748 . . 6 GLN H . 53491 2 45 . 2 . 2 7 7 GLN C C 13 175.1528 0.0000 . 1 . . 24615 . . 6 GLN C . 53491 2 46 . 2 . 2 7 7 GLN CA C 13 55.5371 0.0000 . 1 . . 28324 . . 6 GLN CA . 53491 2 47 . 2 . 2 7 7 GLN CB C 13 32.4536 0.0000 . 1 . . 24622 . . 6 GLN CB . 53491 2 48 . 2 . 2 7 7 GLN N N 15 127.9895 0.0000 . 1 . . 19750 . . 6 GLN N . 53491 2 49 . 2 . 2 8 8 SER H H 1 8.2577 0.0000 . 1 . . 18110 . . 7 SER H . 53491 2 50 . 2 . 2 8 8 SER C C 13 171.6695 0.0000 . 1 . . 26532 . . 7 SER C . 53491 2 51 . 2 . 2 8 8 SER CA C 13 54.8857 0.0000 . 1 . . 35632 . . 7 SER CA . 53491 2 52 . 2 . 2 8 8 SER CB C 13 64.7315 0.0000 . 1 . . 26537 . . 7 SER CB . 53491 2 53 . 2 . 2 8 8 SER N N 15 116.9169 0.0000 . 1 . . 18112 . . 7 SER N . 53491 2 54 . 2 . 2 9 9 PRO C C 13 175.7666 0.0000 . 1 . . 25165 . . 8 PRO C . 53491 2 55 . 2 . 2 9 9 PRO CA C 13 62.6673 0.0000 . 1 . . 25164 . . 8 PRO CA . 53491 2 56 . 2 . 2 9 9 PRO CB C 13 33.7010 0.0000 . 1 . . 25166 . . 8 PRO CB . 53491 2 57 . 2 . 2 10 10 ALA H H 1 8.8021 0.0000 . 1 . . 14309 . . 9 ALA H . 53491 2 58 . 2 . 2 10 10 ALA C C 13 178.9709 0.0000 . 1 . . 25156 . . 9 ALA C . 53491 2 59 . 2 . 2 10 10 ALA CA C 13 55.0914 0.0000 . 1 . . 25161 . . 9 ALA CA . 53491 2 60 . 2 . 2 10 10 ALA CB C 13 17.5917 0.0000 . 1 . . 25163 . . 9 ALA CB . 53491 2 61 . 2 . 2 10 10 ALA N N 15 124.6974 0.0000 . 1 . . 14311 . . 9 ALA N . 53491 2 62 . 2 . 2 11 11 ILE H H 1 7.7580 0.0000 . 1 . . 14699 . . 10 ILE H . 53491 2 63 . 2 . 2 11 11 ILE HD11 H 1 0.9100 0.0000 . 1 . . . . . 10 ILE HD11 . 53491 2 64 . 2 . 2 11 11 ILE HD12 H 1 0.9100 0.0000 . 1 . . . . . 10 ILE HD11 . 53491 2 65 . 2 . 2 11 11 ILE HD13 H 1 0.9100 0.0000 . 1 . . . . . 10 ILE HD11 . 53491 2 66 . 2 . 2 11 11 ILE C C 13 173.8352 0.0000 . 1 . . 26382 . . 10 ILE C . 53491 2 67 . 2 . 2 11 11 ILE CA C 13 59.6192 0.0000 . 1 . . 26385 . . 10 ILE CA . 53491 2 68 . 2 . 2 11 11 ILE CB C 13 39.8859 0.0000 . 1 . . 26390 . . 10 ILE CB . 53491 2 69 . 2 . 2 11 11 ILE CD1 C 13 13.2190 0.0000 . 1 . . . . . 10 ILE CD1 . 53491 2 70 . 2 . 2 11 11 ILE N N 15 117.4159 0.0000 . 1 . . 14701 . . 10 ILE N . 53491 2 71 . 2 . 2 12 12 LEU H H 1 9.2703 0.0000 . 1 . . 14036 . . 11 LEU H . 53491 2 72 . 2 . 2 12 12 LEU HD11 H 1 0.9100 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 2 73 . 2 . 2 12 12 LEU HD12 H 1 0.9100 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 2 74 . 2 . 2 12 12 LEU HD13 H 1 0.9100 0.0000 . 2 . . . . . 11 LEU HD11 . 53491 2 75 . 2 . 2 12 12 LEU HD21 H 1 0.8050 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 2 76 . 2 . 2 12 12 LEU HD22 H 1 0.8050 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 2 77 . 2 . 2 12 12 LEU HD23 H 1 0.8050 0.0000 . 2 . . . . . 11 LEU HD21 . 53491 2 78 . 2 . 2 12 12 LEU C C 13 174.0715 0.0000 . 1 . . 24401 . . 11 LEU C . 53491 2 79 . 2 . 2 12 12 LEU CA C 13 53.3953 0.0000 . 1 . . 24410 . . 11 LEU CA . 53491 2 80 . 2 . 2 12 12 LEU CB C 13 44.5641 0.0000 . 1 . . 24409 . . 11 LEU CB . 53491 2 81 . 2 . 2 12 12 LEU CD1 C 13 25.0040 0.0000 . 2 . . . . . 11 LEU CD1 . 53491 2 82 . 2 . 2 12 12 LEU CD2 C 13 25.2880 0.0000 . 2 . . . . . 11 LEU CD2 . 53491 2 83 . 2 . 2 12 12 LEU N N 15 131.4188 0.0000 . 1 . . 14038 . . 11 LEU N . 53491 2 84 . 2 . 2 13 13 SER H H 1 8.5549 0.0000 . 1 . . 14516 . . 12 SER H . 53491 2 85 . 2 . 2 13 13 SER C C 13 173.5155 0.0000 . 1 . . 25817 . . 12 SER C . 53491 2 86 . 2 . 2 13 13 SER CA C 13 56.4972 0.0000 . 1 . . 25819 . . 12 SER CA . 53491 2 87 . 2 . 2 13 13 SER CB C 13 62.8556 0.0000 . 1 . . 25826 . . 12 SER CB . 53491 2 88 . 2 . 2 13 13 SER N N 15 121.5277 0.0000 . 1 . . 14518 . . 12 SER N . 53491 2 89 . 2 . 2 14 14 ALA H H 1 8.6916 0.0000 . 1 . . 14117 . . 13 ALA H . 53491 2 90 . 2 . 2 14 14 ALA C C 13 176.2797 0.0000 . 1 . . 24578 . . 13 ALA C . 53491 2 91 . 2 . 2 14 14 ALA CA C 13 50.0853 0.0000 . 1 . . 24586 . . 13 ALA CA . 53491 2 92 . 2 . 2 14 14 ALA CB C 13 23.1679 0.0000 . 1 . . 28263 . . 13 ALA CB . 53491 2 93 . 2 . 2 14 14 ALA N N 15 128.2098 0.0000 . 1 . . 14119 . . 13 ALA N . 53491 2 94 . 2 . 2 15 15 SER H H 1 9.1386 0.0000 . 1 . . 17717 . . 14 SER H . 53491 2 95 . 2 . 2 15 15 SER C C 13 171.5332 0.0000 . 1 . . 25729 . . 14 SER C . 53491 2 96 . 2 . 2 15 15 SER CA C 13 56.5330 0.0000 . 1 . . 25735 . . 14 SER CA . 53491 2 97 . 2 . 2 15 15 SER CB C 13 62.0175 0.0000 . 1 . . 25737 . . 14 SER CB . 53491 2 98 . 2 . 2 15 15 SER N N 15 121.8614 0.0000 . 1 . . 17719 . . 14 SER N . 53491 2 99 . 2 . 2 16 16 PRO C C 13 177.8514 0.0000 . 1 . . 27007 . . 15 PRO C . 53491 2 100 . 2 . 2 16 16 PRO CA C 13 63.3911 0.0000 . 1 . . 26999 . . 15 PRO CA . 53491 2 101 . 2 . 2 16 16 PRO CB C 13 30.3294 0.0000 . 1 . . 26999 . . 15 PRO CB . 53491 2 102 . 2 . 2 17 17 GLY H H 1 9.5201 0.0000 . 1 . . 14891 . . 16 GLY H . 53491 2 103 . 2 . 2 17 17 GLY C C 13 173.9926 0.0000 . 1 . . 26997 . . 16 GLY C . 53491 2 104 . 2 . 2 17 17 GLY CA C 13 44.5200 0.0000 . 1 . . 27006 . . 16 GLY CA . 53491 2 105 . 2 . 2 17 17 GLY N N 15 113.9925 0.0000 . 1 . . 14893 . . 16 GLY N . 53491 2 106 . 2 . 2 18 18 GLU H H 1 7.7755 0.0000 . 1 . . 15551 . . 17 GLU H . 53491 2 107 . 2 . 2 18 18 GLU C C 13 174.4609 0.0000 . 1 . . 25655 . . 17 GLU C . 53491 2 108 . 2 . 2 18 18 GLU CA C 13 56.4282 0.0000 . 1 . . 25658 . . 17 GLU CA . 53491 2 109 . 2 . 2 18 18 GLU CB C 13 30.7967 0.0000 . 1 . . 25660 . . 17 GLU CB . 53491 2 110 . 2 . 2 18 18 GLU N N 15 122.0556 0.0000 . 1 . . 15553 . . 17 GLU N . 53491 2 111 . 2 . 2 19 19 LYS H H 1 7.9834 0.0000 . 1 . . 14390 . . 18 LYS H . 53491 2 112 . 2 . 2 19 19 LYS C C 13 177.2269 0.0000 . 1 . . 25483 . . 18 LYS C . 53491 2 113 . 2 . 2 19 19 LYS CA C 13 54.6128 0.0000 . 1 . . 25490 . . 18 LYS CA . 53491 2 114 . 2 . 2 19 19 LYS CB C 13 32.5300 0.0000 . 1 . . 25491 . . 18 LYS CB . 53491 2 115 . 2 . 2 19 19 LYS N N 15 123.1552 0.0000 . 1 . . 14392 . . 18 LYS N . 53491 2 116 . 2 . 2 20 20 VAL H H 1 8.2385 0.0000 . 1 . . 21119 . . 19 VAL H . 53491 2 117 . 2 . 2 20 20 VAL HG11 H 1 0.5590 0.0000 . 2 . . . . . 19 VAL HG11 . 53491 2 118 . 2 . 2 20 20 VAL HG12 H 1 0.5590 0.0000 . 2 . . . . . 19 VAL HG11 . 53491 2 119 . 2 . 2 20 20 VAL HG13 H 1 0.5590 0.0000 . 2 . . . . . 19 VAL HG11 . 53491 2 120 . 2 . 2 20 20 VAL HG21 H 1 0.7570 0.0000 . 2 . . . . . 19 VAL HG21 . 53491 2 121 . 2 . 2 20 20 VAL HG22 H 1 0.7570 0.0000 . 2 . . . . . 19 VAL HG21 . 53491 2 122 . 2 . 2 20 20 VAL HG23 H 1 0.7570 0.0000 . 2 . . . . . 19 VAL HG21 . 53491 2 123 . 2 . 2 20 20 VAL C C 13 173.5612 0.0000 . 1 . . 26062 . . 19 VAL C . 53491 2 124 . 2 . 2 20 20 VAL CA C 13 58.6387 0.0000 . 1 . . 33936 . . 19 VAL CA . 53491 2 125 . 2 . 2 20 20 VAL CB C 13 35.2065 0.0000 . 1 . . 33965 . . 19 VAL CB . 53491 2 126 . 2 . 2 20 20 VAL CG1 C 13 19.3110 0.0000 . 2 . . . . . 19 VAL CG1 . 53491 2 127 . 2 . 2 20 20 VAL CG2 C 13 22.0680 0.0000 . 2 . . . . . 19 VAL CG2 . 53491 2 128 . 2 . 2 20 20 VAL N N 15 119.5314 0.0000 . 1 . . 21121 . . 19 VAL N . 53491 2 129 . 2 . 2 21 21 THR H H 1 8.1485 0.0000 . 1 . . 14672 . . 20 THR H . 53491 2 130 . 2 . 2 21 21 THR C C 13 171.9495 0.0000 . 1 . . 26370 . . 20 THR C . 53491 2 131 . 2 . 2 21 21 THR CA C 13 61.4334 0.0000 . 1 . . 26377 . . 20 THR CA . 53491 2 132 . 2 . 2 21 21 THR CB C 13 71.6000 0.0000 . 1 . . 26378 . . 20 THR CB . 53491 2 133 . 2 . 2 21 21 THR N N 15 117.7837 0.0000 . 1 . . 14674 . . 20 THR N . 53491 2 134 . 2 . 2 22 22 MET H H 1 9.0483 0.0000 . 1 . . 14252 . . 21 MET H . 53491 2 135 . 2 . 2 22 22 MET C C 13 174.5807 0.0000 . 1 . . 25062 . . 21 MET C . 53491 2 136 . 2 . 2 22 22 MET CA C 13 53.8113 0.0000 . 1 . . 25066 . . 21 MET CA . 53491 2 137 . 2 . 2 22 22 MET CB C 13 35.0019 0.0000 . 1 . . 25069 . . 21 MET CB . 53491 2 138 . 2 . 2 22 22 MET N N 15 125.4074 0.0000 . 1 . . 14254 . . 21 MET N . 53491 2 139 . 2 . 2 23 23 THR H H 1 8.9448 0.0000 . 1 . . 14921 . . 22 THR H . 53491 2 140 . 2 . 2 23 23 THR C C 13 174.9545 0.0000 . 1 . . 27168 . . 22 THR C . 53491 2 141 . 2 . 2 23 23 THR CA C 13 61.7002 0.0000 . 1 . . 27173 . . 22 THR CA . 53491 2 142 . 2 . 2 23 23 THR CB C 13 71.6284 0.0000 . 1 . . 27177 . . 22 THR CB . 53491 2 143 . 2 . 2 23 23 THR N N 15 113.5061 0.0000 . 1 . . 14923 . . 22 THR N . 53491 2 144 . 2 . 2 24 24 CYS H H 1 9.4514 0.0000 . 1 . . 17159 . . 23 CYS H . 53491 2 145 . 2 . 2 24 24 CYS C C 13 171.5873 0.0000 . 1 . . 24653 . . 23 CYS C . 53491 2 146 . 2 . 2 24 24 CYS CA C 13 56.0805 0.0000 . 1 . . 24661 . . 23 CYS CA . 53491 2 147 . 2 . 2 24 24 CYS CB C 13 46.4139 0.0000 . 1 . . 24658 . . 23 CYS CB . 53491 2 148 . 2 . 2 24 24 CYS N N 15 127.8918 0.0000 . 1 . . 17161 . . 23 CYS N . 53491 2 149 . 2 . 2 25 25 ARG H H 1 9.1169 0.0000 . 1 . . 17111 . . 24 ARG H . 53491 2 150 . 2 . 2 25 25 ARG C C 13 174.8518 0.0000 . 1 . . 24524 . . 24 ARG C . 53491 2 151 . 2 . 2 25 25 ARG CA C 13 53.7412 0.0000 . 1 . . 24532 . . 24 ARG CA . 53491 2 152 . 2 . 2 25 25 ARG CB C 13 31.8950 0.0000 . 1 . . 24534 . . 24 ARG CB . 53491 2 153 . 2 . 2 25 25 ARG N N 15 128.6769 0.0000 . 1 . . 17113 . . 24 ARG N . 53491 2 154 . 2 . 2 26 26 ALA H H 1 9.0980 0.0000 . 1 . . 17165 . . 25 ALA H . 53491 2 155 . 2 . 2 26 26 ALA C C 13 178.1584 0.0000 . 1 . . 24672 . . 25 ALA C . 53491 2 156 . 2 . 2 26 26 ALA CA C 13 49.6330 0.0000 . 1 . . 24675 . . 25 ALA CA . 53491 2 157 . 2 . 2 26 26 ALA CB C 13 22.7324 0.0000 . 1 . . 28374 . . 25 ALA CB . 53491 2 158 . 2 . 2 26 26 ALA N N 15 127.8563 0.0000 . 1 . . 17167 . . 25 ALA N . 53491 2 159 . 2 . 2 27 27 SER H H 1 8.4165 0.0000 . 1 . . 14813 . . 26 SER H . 53491 2 160 . 2 . 2 27 27 SER C C 13 174.1828 0.0000 . 1 . . 26712 . . 26 SER C . 53491 2 161 . 2 . 2 27 27 SER CA C 13 60.1568 0.0000 . 1 . . 26711 . . 26 SER CA . 53491 2 162 . 2 . 2 27 27 SER CB C 13 62.1906 0.0000 . 1 . . 26709 . . 26 SER CB . 53491 2 163 . 2 . 2 27 27 SER N N 15 115.5302 0.0000 . 1 . . 14815 . . 26 SER N . 53491 2 164 . 2 . 2 28 28 SER H H 1 7.3698 0.0000 . 1 . . 21842 . . 27 SER H . 53491 2 165 . 2 . 2 28 28 SER C C 13 171.6818 0.0000 . 1 . . 26852 . . 27 SER C . 53491 2 166 . 2 . 2 28 28 SER CA C 13 56.7375 0.0000 . 1 . . 26858 . . 27 SER CA . 53491 2 167 . 2 . 2 28 28 SER CB C 13 64.1186 0.0000 . 1 . . 26860 . . 27 SER CB . 53491 2 168 . 2 . 2 28 28 SER N N 15 114.6612 0.0000 . 1 . . 21844 . . 27 SER N . 53491 2 169 . 2 . 2 29 29 SER H H 1 7.8795 0.0000 . 1 . . 21956 . . 28 SER H . 53491 2 170 . 2 . 2 29 29 SER C C 13 173.9051 0.0000 . 1 . . 27062 . . 28 SER C . 53491 2 171 . 2 . 2 29 29 SER CA C 13 60.1855 0.0000 . 1 . . 27067 . . 28 SER CA . 53491 2 172 . 2 . 2 29 29 SER CB C 13 62.6308 0.0000 . 1 . . 27070 . . 28 SER CB . 53491 2 173 . 2 . 2 29 29 SER N N 15 113.9995 0.0000 . 1 . . 21958 . . 28 SER N . 53491 2 174 . 2 . 2 30 30 VAL H H 1 7.7951 0.0000 . 1 . . 14801 . . 29 VAL H . 53491 2 175 . 2 . 2 30 30 VAL HG11 H 1 0.8910 0.0000 . 2 . . . . . 29 VAL HG11 . 53491 2 176 . 2 . 2 30 30 VAL HG12 H 1 0.8910 0.0000 . 2 . . . . . 29 VAL HG11 . 53491 2 177 . 2 . 2 30 30 VAL HG13 H 1 0.8910 0.0000 . 2 . . . . . 29 VAL HG11 . 53491 2 178 . 2 . 2 30 30 VAL HG21 H 1 0.6480 0.0000 . 2 . . . . . 29 VAL HG21 . 53491 2 179 . 2 . 2 30 30 VAL HG22 H 1 0.6480 0.0000 . 2 . . . . . 29 VAL HG21 . 53491 2 180 . 2 . 2 30 30 VAL HG23 H 1 0.6480 0.0000 . 2 . . . . . 29 VAL HG21 . 53491 2 181 . 2 . 2 30 30 VAL C C 13 176.2138 0.0000 . 1 . . 26634 . . 29 VAL C . 53491 2 182 . 2 . 2 30 30 VAL CA C 13 58.2358 0.0000 . 1 . . 26639 . . 29 VAL CA . 53491 2 183 . 2 . 2 30 30 VAL CB C 13 34.6757 0.0000 . 1 . . 26638 . . 29 VAL CB . 53491 2 184 . 2 . 2 30 30 VAL CG1 C 13 23.2780 0.0000 . 2 . . . . . 29 VAL CG1 . 53491 2 185 . 2 . 2 30 30 VAL CG2 C 13 19.4250 0.0000 . 2 . . . . . 29 VAL CG2 . 53491 2 186 . 2 . 2 30 30 VAL N N 15 116.0370 0.0000 . 1 . . 14803 . . 29 VAL N . 53491 2 187 . 2 . 2 31 31 SER H H 1 8.4151 0.0000 . 1 . . 22787 . . 30 SER H . 53491 2 188 . 2 . 2 31 31 SER C C 13 176.2652 0.0000 . 1 . . 35244 . . 30 SER C . 53491 2 189 . 2 . 2 31 31 SER CA C 13 60.3184 0.0000 . 1 . . 35109 . . 30 SER CA . 53491 2 190 . 2 . 2 31 31 SER CB C 13 62.2129 0.0000 . 1 . . 35106 . . 30 SER CB . 53491 2 191 . 2 . 2 31 31 SER N N 15 118.4843 0.0000 . 1 . . 22789 . . 30 SER N . 53491 2 192 . 2 . 2 33 33 ILE H H 1 7.7530 0.0000 . 1 . . . . . 32 ILE H . 53491 2 193 . 2 . 2 33 33 ILE HD11 H 1 0.3670 0.0000 . 1 . . . . . 32 ILE HD11 . 53491 2 194 . 2 . 2 33 33 ILE HD12 H 1 0.3670 0.0000 . 1 . . . . . 32 ILE HD11 . 53491 2 195 . 2 . 2 33 33 ILE HD13 H 1 0.3670 0.0000 . 1 . . . . . 32 ILE HD11 . 53491 2 196 . 2 . 2 33 33 ILE CD1 C 13 13.1490 0.0000 . 1 . . . . . 32 ILE CD1 . 53491 2 197 . 2 . 2 33 33 ILE N N 15 117.4380 0.0000 . 1 . . . . . 32 ILE N . 53491 2 198 . 2 . 2 34 34 HIS C C 13 175.0023 0.0000 . 1 . . 26253 . . 33 HIS C . 53491 2 199 . 2 . 2 34 34 HIS CA C 13 52.8607 0.0000 . 1 . . 34933 . . 33 HIS CA . 53491 2 200 . 2 . 2 34 34 HIS CB C 13 33.1376 0.0000 . 1 . . 34936 . . 33 HIS CB . 53491 2 201 . 2 . 2 35 35 TRP H H 1 9.5557 0.0000 . 1 . . 15704 . . 34 TRP H . 53491 2 202 . 2 . 2 35 35 TRP C C 13 176.1875 0.0000 . 1 . . 26250 . . 34 TRP C . 53491 2 203 . 2 . 2 35 35 TRP CA C 13 55.5405 0.0000 . 1 . . 26249 . . 34 TRP CA . 53491 2 204 . 2 . 2 35 35 TRP CB C 13 31.7630 0.0000 . 1 . . 26251 . . 34 TRP CB . 53491 2 205 . 2 . 2 35 35 TRP N N 15 118.6219 0.0000 . 1 . . 15706 . . 34 TRP N . 53491 2 206 . 2 . 2 36 36 PHE H H 1 9.7195 0.0000 . 1 . . 14570 . . 35 PHE H . 53491 2 207 . 2 . 2 36 36 PHE C C 13 174.2469 0.0000 . 1 . . 26003 . . 35 PHE C . 53491 2 208 . 2 . 2 36 36 PHE CA C 13 56.8013 0.0000 . 1 . . 26005 . . 35 PHE CA . 53491 2 209 . 2 . 2 36 36 PHE CB C 13 43.0358 0.0000 . 1 . . 26010 . . 35 PHE CB . 53491 2 210 . 2 . 2 36 36 PHE N N 15 119.8745 0.0000 . 1 . . 14572 . . 35 PHE N . 53491 2 211 . 2 . 2 37 37 GLN H H 1 8.9197 0.0000 . 1 . . 14408 . . 36 GLN H . 53491 2 212 . 2 . 2 37 37 GLN C C 13 174.5671 0.0000 . 1 . . 25497 . . 36 GLN C . 53491 2 213 . 2 . 2 37 37 GLN CA C 13 53.9163 0.0000 . 1 . . 25507 . . 36 GLN CA . 53491 2 214 . 2 . 2 37 37 GLN CB C 13 31.9247 0.0000 . 1 . . 25503 . . 36 GLN CB . 53491 2 215 . 2 . 2 37 37 GLN N N 15 123.1262 0.0000 . 1 . . 14410 . . 36 GLN N . 53491 2 216 . 2 . 2 38 38 GLN H H 1 9.4367 0.0000 . 1 . . 17024 . . 37 GLN H . 53491 2 217 . 2 . 2 38 38 GLN C C 13 174.4415 0.0000 . 1 . . 24486 . . 37 GLN C . 53491 2 218 . 2 . 2 38 38 GLN CA C 13 54.8178 0.0000 . 1 . . 24489 . . 37 GLN CA . 53491 2 219 . 2 . 2 38 38 GLN CB C 13 31.9843 0.0000 . 1 . . 28163 . . 37 GLN CB . 53491 2 220 . 2 . 2 38 38 GLN N N 15 129.6614 0.0000 . 1 . . 17026 . . 37 GLN N . 53491 2 221 . 2 . 2 39 39 LYS H H 1 8.4523 0.0000 . 1 . . 14024 . . 38 LYS H . 53491 2 222 . 2 . 2 39 39 LYS C C 13 173.3137 0.0000 . 1 . . 24377 . . 38 LYS C . 53491 2 223 . 2 . 2 39 39 LYS CA C 13 53.7451 0.0000 . 1 . . 24384 . . 38 LYS CA . 53491 2 224 . 2 . 2 39 39 LYS CB C 13 31.6694 0.0000 . 1 . . 24381 . . 38 LYS CB . 53491 2 225 . 2 . 2 39 39 LYS N N 15 131.7722 0.0000 . 1 . . 14026 . . 38 LYS N . 53491 2 226 . 2 . 2 40 40 PRO C C 13 178.3651 0.0000 . 1 . . 27093 . . 39 PRO C . 53491 2 227 . 2 . 2 40 40 PRO CA C 13 63.8813 0.0000 . 1 . . 27094 . . 39 PRO CA . 53491 2 228 . 2 . 2 40 40 PRO CB C 13 30.6335 0.0000 . 1 . . 27094 . . 39 PRO CB . 53491 2 229 . 2 . 2 41 41 GLY H H 1 8.6464 0.0000 . 1 . . 18482 . . 40 GLY H . 53491 2 230 . 2 . 2 41 41 GLY C C 13 174.0436 0.0000 . 1 . . 27092 . . 40 GLY C . 53491 2 231 . 2 . 2 41 41 GLY CA C 13 45.2546 0.0000 . 1 . . 27098 . . 40 GLY CA . 53491 2 232 . 2 . 2 41 41 GLY N N 15 113.8526 0.0000 . 1 . . 18484 . . 40 GLY N . 53491 2 233 . 2 . 2 42 42 SER H H 1 7.9706 0.0000 . 1 . . 21761 . . 41 SER H . 53491 2 234 . 2 . 2 42 42 SER C C 13 173.6549 0.0000 . 1 . . 26805 . . 41 SER C . 53491 2 235 . 2 . 2 42 42 SER CA C 13 56.5089 0.0000 . 1 . . 26807 . . 41 SER CA . 53491 2 236 . 2 . 2 42 42 SER CB C 13 65.3746 0.0000 . 1 . . 26811 . . 41 SER CB . 53491 2 237 . 2 . 2 42 42 SER N N 15 115.1833 0.0000 . 1 . . 21763 . . 41 SER N . 53491 2 238 . 2 . 2 43 43 SER H H 1 8.2443 0.0000 . 1 . . 21566 . . 42 SER H . 53491 2 239 . 2 . 2 43 43 SER C C 13 172.1285 0.0000 . 1 . . 26607 . . 42 SER C . 53491 2 240 . 2 . 2 43 43 SER CA C 13 56.2548 0.0000 . 1 . . 26613 . . 42 SER CA . 53491 2 241 . 2 . 2 43 43 SER CB C 13 61.7988 0.0000 . 1 . . 26611 . . 42 SER CB . 53491 2 242 . 2 . 2 43 43 SER N N 15 116.4351 0.0000 . 1 . . 21568 . . 42 SER N . 53491 2 243 . 2 . 2 46 46 PRO C C 13 174.3753 0.0000 . 1 . . 46791 . . 45 PRO C . 53491 2 244 . 2 . 2 46 46 PRO CA C 13 64.1758 0.0000 . 1 . . 24631 . . 45 PRO CA . 53491 2 245 . 2 . 2 46 46 PRO CB C 13 31.3230 0.0000 . 1 . . 46797 . . 45 PRO CB . 53491 2 246 . 2 . 2 47 47 TRP H H 1 8.3646 0.0000 . 1 . . 14111 . . 46 TRP H . 53491 2 247 . 2 . 2 47 47 TRP C C 13 174.6516 0.0000 . 1 . . 28345 . . 46 TRP C . 53491 2 248 . 2 . 2 47 47 TRP CA C 13 57.4688 0.0000 . 1 . . 24630 . . 46 TRP CA . 53491 2 249 . 2 . 2 47 47 TRP CB C 13 34.2873 0.0000 . 1 . . 24635 . . 46 TRP CB . 53491 2 250 . 2 . 2 47 47 TRP N N 15 128.1002 0.0000 . 1 . . 14113 . . 46 TRP N . 53491 2 251 . 2 . 2 48 48 ILE H H 1 7.7313 0.0000 . 1 . . 21479 . . 47 ILE H . 53491 2 252 . 2 . 2 48 48 ILE HD11 H 1 0.4700 0.0000 . 1 . . . . . 47 ILE HD11 . 53491 2 253 . 2 . 2 48 48 ILE HD12 H 1 0.4700 0.0000 . 1 . . . . . 47 ILE HD11 . 53491 2 254 . 2 . 2 48 48 ILE HD13 H 1 0.4700 0.0000 . 1 . . . . . 47 ILE HD11 . 53491 2 255 . 2 . 2 48 48 ILE C C 13 175.5334 0.0000 . 1 . . 26592 . . 47 ILE C . 53491 2 256 . 2 . 2 48 48 ILE CA C 13 58.1674 0.0000 . 1 . . 35734 . . 47 ILE CA . 53491 2 257 . 2 . 2 48 48 ILE CB C 13 40.1620 0.0000 . 1 . . 26597 . . 47 ILE CB . 53491 2 258 . 2 . 2 48 48 ILE CD1 C 13 12.1150 0.0000 . 1 . . . . . 47 ILE CD1 . 53491 2 259 . 2 . 2 48 48 ILE N N 15 116.3361 0.0000 . 1 . . 21481 . . 47 ILE N . 53491 2 260 . 2 . 2 49 49 TYR H H 1 9.2989 0.0000 . 1 . . 14165 . . 48 TYR H . 53491 2 261 . 2 . 2 49 49 TYR C C 13 174.0495 0.0000 . 1 . . 24768 . . 48 TYR C . 53491 2 262 . 2 . 2 49 49 TYR CA C 13 53.8905 0.0000 . 1 . . 24776 . . 48 TYR CA . 53491 2 263 . 2 . 2 49 49 TYR CB C 13 39.8713 0.0000 . 1 . . 24774 . . 48 TYR CB . 53491 2 264 . 2 . 2 49 49 TYR N N 15 126.4134 0.0000 . 1 . . 14167 . . 48 TYR N . 53491 2 265 . 2 . 2 51 51 THR C C 13 176.1149 0.0000 . 1 . . 48600 . . 50 THR C . 53491 2 266 . 2 . 2 51 51 THR CA C 13 68.2512 0.0000 . 1 . . 49221 . . 50 THR CA . 53491 2 267 . 2 . 2 51 51 THR CB C 13 64.9798 0.0000 . 1 . . 49279 . . 50 THR CB . 53491 2 268 . 2 . 2 52 52 SER H H 1 8.6854 0.0000 . 1 . . 48599 . . 51 SER H . 53491 2 269 . 2 . 2 52 52 SER C C 13 174.6678 0.0000 . 1 . . 25642 . . 51 SER C . 53491 2 270 . 2 . 2 52 52 SER CA C 13 57.5841 0.0000 . 1 . . 32039 . . 51 SER CA . 53491 2 271 . 2 . 2 52 52 SER CB C 13 65.8810 0.0000 . 1 . . 32048 . . 51 SER CB . 53491 2 272 . 2 . 2 52 52 SER N N 15 113.7715 0.0000 . 1 . . 48601 . . 51 SER N . 53491 2 273 . 2 . 2 53 53 ASN H H 1 7.8304 0.0000 . 1 . . 15542 . . 52 ASN H . 53491 2 274 . 2 . 2 53 53 ASN C C 13 172.9323 0.0000 . 1 . . 32033 . . 52 ASN C . 53491 2 275 . 2 . 2 53 53 ASN CA C 13 52.5536 0.0000 . 1 . . 25643 . . 52 ASN CA . 53491 2 276 . 2 . 2 53 53 ASN CB C 13 38.0208 0.0000 . 1 . . 25641 . . 52 ASN CB . 53491 2 277 . 2 . 2 53 53 ASN N N 15 122.0288 0.0000 . 1 . . 15544 . . 52 ASN N . 53491 2 278 . 2 . 2 54 54 LEU H H 1 8.5158 0.0000 . 1 . . 14330 . . 53 LEU H . 53491 2 279 . 2 . 2 54 54 LEU HD11 H 1 0.6690 0.0000 . 2 . . . . . 53 LEU HD11 . 53491 2 280 . 2 . 2 54 54 LEU HD12 H 1 0.6690 0.0000 . 2 . . . . . 53 LEU HD11 . 53491 2 281 . 2 . 2 54 54 LEU HD13 H 1 0.6690 0.0000 . 2 . . . . . 53 LEU HD11 . 53491 2 282 . 2 . 2 54 54 LEU HD21 H 1 0.8590 0.0000 . 2 . . . . . 53 LEU HD21 . 53491 2 283 . 2 . 2 54 54 LEU HD22 H 1 0.8590 0.0000 . 2 . . . . . 53 LEU HD21 . 53491 2 284 . 2 . 2 54 54 LEU HD23 H 1 0.8590 0.0000 . 2 . . . . . 53 LEU HD21 . 53491 2 285 . 2 . 2 54 54 LEU C C 13 177.7404 0.0000 . 1 . . 25233 . . 53 LEU C . 53491 2 286 . 2 . 2 54 54 LEU CA C 13 55.2144 0.0000 . 1 . . 25243 . . 53 LEU CA . 53491 2 287 . 2 . 2 54 54 LEU CB C 13 41.1900 0.0000 . 1 . . 25241 . . 53 LEU CB . 53491 2 288 . 2 . 2 54 54 LEU CD1 C 13 23.1320 0.0000 . 2 . . . . . 53 LEU CD1 . 53491 2 289 . 2 . 2 54 54 LEU CD2 C 13 24.8200 0.0000 . 2 . . . . . 53 LEU CD2 . 53491 2 290 . 2 . 2 54 54 LEU N N 15 124.6002 0.0000 . 1 . . 14332 . . 53 LEU N . 53491 2 291 . 2 . 2 55 55 ALA H H 1 7.6814 0.0000 . 1 . . 14291 . . 54 ALA H . 53491 2 292 . 2 . 2 55 55 ALA C C 13 176.4343 0.0000 . 1 . . 25114 . . 54 ALA C . 53491 2 293 . 2 . 2 55 55 ALA CA C 13 50.9955 0.0000 . 1 . . 25122 . . 54 ALA CA . 53491 2 294 . 2 . 2 55 55 ALA CB C 13 17.6854 0.0000 . 1 . . 25120 . . 54 ALA CB . 53491 2 295 . 2 . 2 55 55 ALA N N 15 124.9498 0.0000 . 1 . . 14293 . . 54 ALA N . 53491 2 296 . 2 . 2 56 56 SER H H 1 7.9724 0.0000 . 1 . . 21845 . . 55 SER H . 53491 2 297 . 2 . 2 56 56 SER C C 13 176.2851 0.0000 . 1 . . 26840 . . 55 SER C . 53491 2 298 . 2 . 2 56 56 SER CA C 13 59.6372 0.0000 . 1 . . 26848 . . 55 SER CA . 53491 2 299 . 2 . 2 56 56 SER CB C 13 62.3268 0.0000 . 1 . . 26847 . . 55 SER CB . 53491 2 300 . 2 . 2 56 56 SER N N 15 114.6293 0.0000 . 1 . . 21847 . . 55 SER N . 53491 2 301 . 2 . 2 57 57 GLY H H 1 8.7040 0.0000 . 1 . . 14879 . . 56 GLY H . 53491 2 302 . 2 . 2 57 57 GLY C C 13 173.9850 0.0000 . 1 . . 46800 . . 56 GLY C . 53491 2 303 . 2 . 2 57 57 GLY CA C 13 44.9348 0.0000 . 1 . . 46808 . . 56 GLY CA . 53491 2 304 . 2 . 2 57 57 GLY N N 15 114.3652 0.0000 . 1 . . 14881 . . 56 GLY N . 53491 2 305 . 2 . 2 58 58 VAL H H 1 7.1750 0.0000 . 1 . . 14255 . . 57 VAL H . 53491 2 306 . 2 . 2 58 58 VAL HG11 H 1 -0.1460 0.0000 . 2 . . . . . 57 VAL HG11 . 53491 2 307 . 2 . 2 58 58 VAL HG12 H 1 -0.1460 0.0000 . 2 . . . . . 57 VAL HG11 . 53491 2 308 . 2 . 2 58 58 VAL HG13 H 1 -0.1460 0.0000 . 2 . . . . . 57 VAL HG11 . 53491 2 309 . 2 . 2 58 58 VAL HG21 H 1 -0.2980 0.0000 . 2 . . . . . 57 VAL HG21 . 53491 2 310 . 2 . 2 58 58 VAL HG22 H 1 -0.2980 0.0000 . 2 . . . . . 57 VAL HG21 . 53491 2 311 . 2 . 2 58 58 VAL HG23 H 1 -0.2980 0.0000 . 2 . . . . . 57 VAL HG21 . 53491 2 312 . 2 . 2 58 58 VAL C C 13 174.4260 0.0000 . 1 . . 46792 . . 57 VAL C . 53491 2 313 . 2 . 2 58 58 VAL CA C 13 60.2679 0.0000 . 1 . . 25005 . . 57 VAL CA . 53491 2 314 . 2 . 2 58 58 VAL CB C 13 31.0387 0.0000 . 1 . . 46796 . . 57 VAL CB . 53491 2 315 . 2 . 2 58 58 VAL CG1 C 13 17.7750 0.0000 . 2 . . . . . 57 VAL CG1 . 53491 2 316 . 2 . 2 58 58 VAL CG2 C 13 21.1870 0.0000 . 2 . . . . . 57 VAL CG2 . 53491 2 317 . 2 . 2 58 58 VAL N N 15 125.5707 0.0000 . 1 . . 14257 . . 57 VAL N . 53491 2 318 . 2 . 2 60 60 VAL H H 1 7.8590 0.0000 . 1 . . . . . 59 VAL H . 53491 2 319 . 2 . 2 60 60 VAL HG11 H 1 0.9700 0.0000 . 2 . . . . . 59 VAL HG11 . 53491 2 320 . 2 . 2 60 60 VAL HG12 H 1 0.9700 0.0000 . 2 . . . . . 59 VAL HG11 . 53491 2 321 . 2 . 2 60 60 VAL HG13 H 1 0.9700 0.0000 . 2 . . . . . 59 VAL HG11 . 53491 2 322 . 2 . 2 60 60 VAL HG21 H 1 1.0620 0.0000 . 2 . . . . . 59 VAL HG21 . 53491 2 323 . 2 . 2 60 60 VAL HG22 H 1 1.0620 0.0000 . 2 . . . . . 59 VAL HG21 . 53491 2 324 . 2 . 2 60 60 VAL HG23 H 1 1.0620 0.0000 . 2 . . . . . 59 VAL HG21 . 53491 2 325 . 2 . 2 60 60 VAL CA C 13 63.1670 0.0000 . 1 . . -1 . . 59 VAL CA . 53491 2 326 . 2 . 2 60 60 VAL CB C 13 30.3010 0.0000 . 1 . . . . . 59 VAL CB . 53491 2 327 . 2 . 2 60 60 VAL CG1 C 13 19.0230 0.0000 . 2 . . . . . 59 VAL CG1 . 53491 2 328 . 2 . 2 60 60 VAL CG2 C 13 20.7530 0.0000 . 2 . . . . . 59 VAL CG2 . 53491 2 329 . 2 . 2 60 60 VAL N N 15 113.5920 0.0000 . 1 . . . . . 59 VAL N . 53491 2 330 . 2 . 2 62 62 PHE CA C 13 57.8580 0.0000 . 1 . . . . . 61 PHE CA . 53491 2 331 . 2 . 2 62 62 PHE CB C 13 39.9290 0.0000 . 1 . . . . . 61 PHE CB . 53491 2 332 . 2 . 2 63 63 SER H H 1 8.7494 0.0000 . 1 . . 22127 . . 62 SER H . 53491 2 333 . 2 . 2 63 63 SER C C 13 172.7481 0.0000 . 1 . . 27393 . . 62 SER C . 53491 2 334 . 2 . 2 63 63 SER CA C 13 56.8458 0.0000 . 1 . . 27397 . . 62 SER CA . 53491 2 335 . 2 . 2 63 63 SER CB C 13 64.9954 0.0000 . 1 . . 27399 . . 62 SER CB . 53491 2 336 . 2 . 2 63 63 SER N N 15 111.5607 0.0000 . 1 . . 22129 . . 62 SER N . 53491 2 337 . 2 . 2 64 64 GLY H H 1 8.7113 0.0000 . 1 . . 14978 . . 63 GLY H . 53491 2 338 . 2 . 2 64 64 GLY C C 13 172.8260 0.0000 . 1 . . 26880 . . 63 GLY C . 53491 2 339 . 2 . 2 64 64 GLY CA C 13 43.9047 0.0000 . 1 . . 26879 . . 63 GLY CA . 53491 2 340 . 2 . 2 64 64 GLY N N 15 109.7119 0.0000 . 1 . . 14980 . . 63 GLY N . 53491 2 341 . 2 . 2 65 65 SER H H 1 8.5861 0.0000 . 1 . . 14864 . . 64 SER H . 53491 2 342 . 2 . 2 65 65 SER C C 13 173.4285 0.0000 . 1 . . 26875 . . 64 SER C . 53491 2 343 . 2 . 2 65 65 SER CA C 13 56.8367 0.0000 . 1 . . 36936 . . 64 SER CA . 53491 2 344 . 2 . 2 65 65 SER CB C 13 65.3928 0.0000 . 1 . . 36982 . . 64 SER CB . 53491 2 345 . 2 . 2 65 65 SER N N 15 114.7603 0.0000 . 1 . . 14866 . . 64 SER N . 53491 2 346 . 2 . 2 66 66 GLY H H 1 8.1426 0.0000 . 1 . . 14990 . . 65 GLY H . 53491 2 347 . 2 . 2 66 66 GLY C C 13 171.8874 0.0000 . 1 . . 27641 . . 65 GLY C . 53491 2 348 . 2 . 2 66 66 GLY CA C 13 45.2686 0.0000 . 1 . . 27643 . . 65 GLY CA . 53491 2 349 . 2 . 2 66 66 GLY N N 15 109.4221 0.0000 . 1 . . 14992 . . 65 GLY N . 53491 2 350 . 2 . 2 67 67 SER H H 1 7.0437 0.0000 . 1 . . 14963 . . 66 SER H . 53491 2 351 . 2 . 2 67 67 SER C C 13 174.5040 0.0000 . 1 . . 27540 . . 66 SER C . 53491 2 352 . 2 . 2 67 67 SER CA C 13 57.7067 0.0000 . 1 . . 27543 . . 66 SER CA . 53491 2 353 . 2 . 2 67 67 SER CB C 13 63.5665 0.0000 . 1 . . 27544 . . 66 SER CB . 53491 2 354 . 2 . 2 67 67 SER N N 15 109.8789 0.0000 . 1 . . 14965 . . 66 SER N . 53491 2 355 . 2 . 2 68 68 GLY H H 1 8.7688 0.0000 . 1 . . 18662 . . 67 GLY H . 53491 2 356 . 2 . 2 68 68 GLY C C 13 174.5758 0.0000 . 1 . . 27471 . . 67 GLY C . 53491 2 357 . 2 . 2 68 68 GLY CA C 13 47.6975 0.0000 . 1 . . 27477 . . 67 GLY CA . 53491 2 358 . 2 . 2 68 68 GLY N N 15 110.5808 0.0000 . 1 . . 18664 . . 67 GLY N . 53491 2 359 . 2 . 2 69 69 THR H H 1 8.5821 0.0000 . 1 . . 14678 . . 68 THR H . 53491 2 360 . 2 . 2 69 69 THR C C 13 175.0870 0.0000 . 1 . . 26345 . . 68 THR C . 53491 2 361 . 2 . 2 69 69 THR CA C 13 60.6609 0.0000 . 1 . . 26350 . . 68 THR CA . 53491 2 362 . 2 . 2 69 69 THR CB C 13 69.8245 0.0000 . 1 . . 26351 . . 68 THR CB . 53491 2 363 . 2 . 2 69 69 THR N N 15 117.8564 0.0000 . 1 . . 14680 . . 68 THR N . 53491 2 364 . 2 . 2 70 70 SER H H 1 7.6766 0.0000 . 1 . . 21413 . . 69 SER H . 53491 2 365 . 2 . 2 70 70 SER C C 13 171.7640 0.0000 . 1 . . 26419 . . 69 SER C . 53491 2 366 . 2 . 2 70 70 SER CA C 13 58.1716 0.0000 . 1 . . 26428 . . 69 SER CA . 53491 2 367 . 2 . 2 70 70 SER CB C 13 64.0926 0.0000 . 1 . . 26424 . . 69 SER CB . 53491 2 368 . 2 . 2 70 70 SER N N 15 117.3332 0.0000 . 1 . . 21415 . . 69 SER N . 53491 2 369 . 2 . 2 71 71 TYR H H 1 8.5423 0.0000 . 1 . . 20039 . . 70 TYR H . 53491 2 370 . 2 . 2 71 71 TYR C C 13 175.8366 0.0000 . 1 . . 24983 . . 70 TYR C . 53491 2 371 . 2 . 2 71 71 TYR CA C 13 56.8011 0.0000 . 1 . . 24976 . . 70 TYR CA . 53491 2 372 . 2 . 2 71 71 TYR CB C 13 42.1424 0.0000 . 1 . . 24979 . . 70 TYR CB . 53491 2 373 . 2 . 2 71 71 TYR N N 15 125.8165 0.0000 . 1 . . 20041 . . 70 TYR N . 53491 2 374 . 2 . 2 72 72 SER H H 1 9.2085 0.0000 . 1 . . 14807 . . 71 SER H . 53491 2 375 . 2 . 2 72 72 SER C C 13 171.3518 0.0000 . 1 . . 26645 . . 71 SER C . 53491 2 376 . 2 . 2 72 72 SER CA C 13 57.2906 0.0000 . 1 . . 26651 . . 71 SER CA . 53491 2 377 . 2 . 2 72 72 SER CB C 13 66.2529 0.0000 . 1 . . 26650 . . 71 SER CB . 53491 2 378 . 2 . 2 72 72 SER N N 15 115.8949 0.0000 . 1 . . 14809 . . 71 SER N . 53491 2 379 . 2 . 2 73 73 LEU H H 1 8.3394 0.0000 . 1 . . 17258 . . 72 LEU H . 53491 2 380 . 2 . 2 73 73 LEU HD11 H 1 0.2940 0.0000 . 2 . . . . . 72 LEU HD11 . 53491 2 381 . 2 . 2 73 73 LEU HD12 H 1 0.2940 0.0000 . 2 . . . . . 72 LEU HD11 . 53491 2 382 . 2 . 2 73 73 LEU HD13 H 1 0.2940 0.0000 . 2 . . . . . 72 LEU HD11 . 53491 2 383 . 2 . 2 73 73 LEU HD21 H 1 0.3490 0.0000 . 2 . . . . . 72 LEU HD21 . 53491 2 384 . 2 . 2 73 73 LEU HD22 H 1 0.3490 0.0000 . 2 . . . . . 72 LEU HD21 . 53491 2 385 . 2 . 2 73 73 LEU HD23 H 1 0.3490 0.0000 . 2 . . . . . 72 LEU HD21 . 53491 2 386 . 2 . 2 73 73 LEU C C 13 174.8603 0.0000 . 1 . . 28804 . . 72 LEU C . 53491 2 387 . 2 . 2 73 73 LEU CA C 13 53.7779 0.0000 . 1 . . 24819 . . 72 LEU CA . 53491 2 388 . 2 . 2 73 73 LEU CB C 13 41.2744 0.0000 . 1 . . 24821 . . 72 LEU CB . 53491 2 389 . 2 . 2 73 73 LEU CD1 C 13 24.7720 0.0000 . 2 . . . . . 72 LEU CD1 . 53491 2 390 . 2 . 2 73 73 LEU CD2 C 13 25.3410 0.0000 . 2 . . . . . 72 LEU CD2 . 53491 2 391 . 2 . 2 73 73 LEU N N 15 126.1430 0.0000 . 1 . . 17260 . . 72 LEU N . 53491 2 392 . 2 . 2 74 74 THR H H 1 8.9978 0.0000 . 1 . . 20474 . . 73 THR H . 53491 2 393 . 2 . 2 74 74 THR C C 13 172.7890 0.0000 . 1 . . 25320 . . 73 THR C . 53491 2 394 . 2 . 2 74 74 THR CA C 13 60.7606 0.0000 . 1 . . 25326 . . 73 THR CA . 53491 2 395 . 2 . 2 74 74 THR CB C 13 71.0404 0.0000 . 1 . . 25328 . . 73 THR CB . 53491 2 396 . 2 . 2 74 74 THR N N 15 124.1309 0.0000 . 1 . . 20476 . . 73 THR N . 53491 2 397 . 2 . 2 75 75 ILE H H 1 8.6259 0.0000 . 1 . . 14204 . . 74 ILE H . 53491 2 398 . 2 . 2 75 75 ILE HD11 H 1 0.3300 0.0000 . 1 . . . . . 74 ILE HD11 . 53491 2 399 . 2 . 2 75 75 ILE HD12 H 1 0.3300 0.0000 . 1 . . . . . 74 ILE HD11 . 53491 2 400 . 2 . 2 75 75 ILE HD13 H 1 0.3300 0.0000 . 1 . . . . . 74 ILE HD11 . 53491 2 401 . 2 . 2 75 75 ILE C C 13 176.0382 0.0000 . 1 . . 24965 . . 74 ILE C . 53491 2 402 . 2 . 2 75 75 ILE CA C 13 59.4422 0.0000 . 1 . . 24967 . . 74 ILE CA . 53491 2 403 . 2 . 2 75 75 ILE CB C 13 37.1169 0.0000 . 1 . . 24971 . . 74 ILE CB . 53491 2 404 . 2 . 2 75 75 ILE CD1 C 13 13.9410 0.0000 . 1 . . . . . 74 ILE CD1 . 53491 2 405 . 2 . 2 75 75 ILE N N 15 125.9293 0.0000 . 1 . . 14206 . . 74 ILE N . 53491 2 406 . 2 . 2 76 76 SER H H 1 8.9943 0.0000 . 1 . . 14468 . . 75 SER H . 53491 2 407 . 2 . 2 76 76 SER C C 13 173.9015 0.0000 . 1 . . 31628 . . 75 SER C . 53491 2 408 . 2 . 2 76 76 SER CA C 13 60.4020 0.0000 . 1 . . 31631 . . 75 SER CA . 53491 2 409 . 2 . 2 76 76 SER CB C 13 61.8365 0.0000 . 1 . . 25601 . . 75 SER CB . 53491 2 410 . 2 . 2 76 76 SER N N 15 122.3121 0.0000 . 1 . . 14470 . . 75 SER N . 53491 2 411 . 2 . 2 77 77 ARG H H 1 6.1172 0.0000 . 1 . . 21143 . . 76 ARG H . 53491 2 412 . 2 . 2 77 77 ARG C C 13 174.4419 0.0000 . 1 . . 48880 . . 76 ARG C . 53491 2 413 . 2 . 2 77 77 ARG CA C 13 55.1831 0.0000 . 1 . . 48888 . . 76 ARG CA . 53491 2 414 . 2 . 2 77 77 ARG CB C 13 30.6138 0.0000 . 1 . . 48892 . . 76 ARG CB . 53491 2 415 . 2 . 2 77 77 ARG N N 15 118.5944 0.0000 . 1 . . 21145 . . 76 ARG N . 53491 2 416 . 2 . 2 78 78 VAL H H 1 8.5691 0.0000 . 1 . . 48593 . . 77 VAL H . 53491 2 417 . 2 . 2 78 78 VAL HG11 H 1 0.6460 0.0000 . 2 . . . . . 77 VAL HG11 . 53491 2 418 . 2 . 2 78 78 VAL HG12 H 1 0.6460 0.0000 . 2 . . . . . 77 VAL HG11 . 53491 2 419 . 2 . 2 78 78 VAL HG13 H 1 0.6460 0.0000 . 2 . . . . . 77 VAL HG11 . 53491 2 420 . 2 . 2 78 78 VAL HG21 H 1 0.8960 0.0000 . 2 . . . . . 77 VAL HG21 . 53491 2 421 . 2 . 2 78 78 VAL HG22 H 1 0.8960 0.0000 . 2 . . . . . 77 VAL HG21 . 53491 2 422 . 2 . 2 78 78 VAL HG23 H 1 0.8960 0.0000 . 2 . . . . . 77 VAL HG21 . 53491 2 423 . 2 . 2 78 78 VAL CA C 13 63.7216 0.0000 . 1 . . 24727 . . 77 VAL CA . 53491 2 424 . 2 . 2 78 78 VAL CB C 13 31.9200 0.0000 . 1 . . 24728 . . 77 VAL CB . 53491 2 425 . 2 . 2 78 78 VAL CG1 C 13 22.2640 0.0000 . 2 . . . . . 77 VAL CG1 . 53491 2 426 . 2 . 2 78 78 VAL CG2 C 13 24.6990 0.0000 . 2 . . . . . 77 VAL CG2 . 53491 2 427 . 2 . 2 78 78 VAL N N 15 125.8117 0.0000 . 1 . . 48595 . . 77 VAL N . 53491 2 428 . 2 . 2 79 79 GLU H H 1 8.7782 0.0000 . 1 . . 14147 . . 78 GLU H . 53491 2 429 . 2 . 2 79 79 GLU C C 13 176.6166 0.0000 . 1 . . 24722 . . 78 GLU C . 53491 2 430 . 2 . 2 79 79 GLU CA C 13 53.4984 0.0000 . 1 . . 24726 . . 78 GLU CA . 53491 2 431 . 2 . 2 79 79 GLU N N 15 127.5147 0.0000 . 1 . . 14149 . . 78 GLU N . 53491 2 432 . 2 . 2 80 80 ALA H H 1 8.9675 0.0000 . 1 . . 14333 . . 79 ALA H . 53491 2 433 . 2 . 2 80 80 ALA C C 13 179.9938 0.0000 . 1 . . 25252 . . 79 ALA C . 53491 2 434 . 2 . 2 80 80 ALA CA C 13 55.3354 0.0000 . 1 . . 25254 . . 79 ALA CA . 53491 2 435 . 2 . 2 80 80 ALA CB C 13 17.2259 0.0000 . 1 . . 25259 . . 79 ALA CB . 53491 2 436 . 2 . 2 80 80 ALA N N 15 124.3291 0.0000 . 1 . . 14335 . . 79 ALA N . 53491 2 437 . 2 . 2 81 81 GLU H H 1 8.4235 0.0000 . 1 . . 14918 . . 80 GLU H . 53491 2 438 . 2 . 2 81 81 GLU C C 13 176.3433 0.0000 . 1 . . 27129 . . 80 GLU C . 53491 2 439 . 2 . 2 81 81 GLU CA C 13 57.1639 0.0000 . 1 . . 27140 . . 80 GLU CA . 53491 2 440 . 2 . 2 81 81 GLU CB C 13 27.9616 0.0000 . 1 . . 27131 . . 80 GLU CB . 53491 2 441 . 2 . 2 81 81 GLU N N 15 113.5170 0.0000 . 1 . . 14920 . . 80 GLU N . 53491 2 442 . 2 . 2 82 82 ASP H H 1 8.2582 0.0000 . 1 . . 14465 . . 81 ASP H . 53491 2 443 . 2 . 2 82 82 ASP C C 13 177.1861 0.0000 . 1 . . 25750 . . 81 ASP C . 53491 2 444 . 2 . 2 82 82 ASP CA C 13 54.7598 0.0000 . 1 . . 25752 . . 81 ASP CA . 53491 2 445 . 2 . 2 82 82 ASP CB C 13 40.4377 0.0000 . 1 . . 25755 . . 81 ASP CB . 53491 2 446 . 2 . 2 82 82 ASP N N 15 121.9927 0.0000 . 1 . . 14467 . . 81 ASP N . 53491 2 447 . 2 . 2 83 83 ALA H H 1 7.1499 0.0000 . 1 . . 15401 . . 82 ALA H . 53491 2 448 . 2 . 2 83 83 ALA C C 13 176.0215 0.0000 . 1 . . 25333 . . 82 ALA C . 53491 2 449 . 2 . 2 83 83 ALA CA C 13 54.0228 0.0000 . 1 . . 25335 . . 82 ALA CA . 53491 2 450 . 2 . 2 83 83 ALA CB C 13 17.2730 0.0000 . 1 . . 25339 . . 82 ALA CB . 53491 2 451 . 2 . 2 83 83 ALA N N 15 123.5927 0.0000 . 1 . . 15403 . . 82 ALA N . 53491 2 452 . 2 . 2 84 84 ALA H H 1 7.9355 0.0000 . 1 . . 14219 . . 83 ALA H . 53491 2 453 . 2 . 2 84 84 ALA C C 13 174.9850 0.0000 . 1 . . 24853 . . 83 ALA C . 53491 2 454 . 2 . 2 84 84 ALA CA C 13 51.1261 0.0000 . 1 . . 24857 . . 83 ALA CA . 53491 2 455 . 2 . 2 84 84 ALA CB C 13 19.7497 0.0000 . 1 . . 24862 . . 83 ALA CB . 53491 2 456 . 2 . 2 84 84 ALA N N 15 125.8708 0.0000 . 1 . . 14221 . . 83 ALA N . 53491 2 457 . 2 . 2 85 85 THR H H 1 7.9181 0.0000 . 1 . . 18314 . . 84 THR H . 53491 2 458 . 2 . 2 85 85 THR C C 13 172.3735 0.0000 . 1 . . 26818 . . 84 THR C . 53491 2 459 . 2 . 2 85 85 THR CA C 13 62.2443 0.0000 . 1 . . 26824 . . 84 THR CA . 53491 2 460 . 2 . 2 85 85 THR CB C 13 68.5778 0.0000 . 1 . . 26826 . . 84 THR CB . 53491 2 461 . 2 . 2 85 85 THR N N 15 114.9926 0.0000 . 1 . . 18316 . . 84 THR N . 53491 2 462 . 2 . 2 86 86 TYR H H 1 8.8792 0.0000 . 1 . . 17396 . . 85 TYR H . 53491 2 463 . 2 . 2 86 86 TYR C C 13 176.6504 0.0000 . 1 . . 25101 . . 85 TYR C . 53491 2 464 . 2 . 2 86 86 TYR CA C 13 56.2257 0.0000 . 1 . . 25102 . . 85 TYR CA . 53491 2 465 . 2 . 2 86 86 TYR CB C 13 40.4087 0.0000 . 1 . . 25107 . . 85 TYR CB . 53491 2 466 . 2 . 2 86 86 TYR N N 15 125.2522 0.0000 . 1 . . 17398 . . 85 TYR N . 53491 2 467 . 2 . 2 87 87 TYR H H 1 9.4809 0.0000 . 1 . . 20693 . . 86 TYR H . 53491 2 468 . 2 . 2 87 87 TYR C C 13 175.6498 0.0000 . 1 . . 25522 . . 86 TYR C . 53491 2 469 . 2 . 2 87 87 TYR CA C 13 57.3579 0.0000 . 1 . . 25524 . . 86 TYR CA . 53491 2 470 . 2 . 2 87 87 TYR CB C 13 42.5048 0.0000 . 1 . . 31372 . . 86 TYR CB . 53491 2 471 . 2 . 2 87 87 TYR N N 15 122.7595 0.0000 . 1 . . 20695 . . 86 TYR N . 53491 2 472 . 2 . 2 88 88 CYS H H 1 7.4325 0.0000 . 1 . . 18254 . . 87 CYS H . 53491 2 473 . 2 . 2 88 88 CYS C C 13 173.5901 0.0000 . 1 . . 26750 . . 87 CYS C . 53491 2 474 . 2 . 2 88 88 CYS CA C 13 52.6145 0.0000 . 1 . . 26758 . . 87 CYS CA . 53491 2 475 . 2 . 2 88 88 CYS CB C 13 44.4685 0.0000 . 1 . . 26754 . . 87 CYS CB . 53491 2 476 . 2 . 2 88 88 CYS N N 15 115.2199 0.0000 . 1 . . 18256 . . 87 CYS N . 53491 2 477 . 2 . 2 89 89 GLN H H 1 8.7638 0.0000 . 1 . . 14420 . . 88 GLN H . 53491 2 478 . 2 . 2 89 89 GLN C C 13 172.6524 0.0000 . 1 . . 25508 . . 88 GLN C . 53491 2 479 . 2 . 2 89 89 GLN CA C 13 55.1134 0.0000 . 1 . . 25511 . . 88 GLN CA . 53491 2 480 . 2 . 2 89 89 GLN CB C 13 31.4543 0.0000 . 1 . . 25513 . . 88 GLN CB . 53491 2 481 . 2 . 2 89 89 GLN N N 15 123.0717 0.0000 . 1 . . 14422 . . 88 GLN N . 53491 2 482 . 2 . 2 90 90 GLN H H 1 8.4077 0.0000 . 1 . . 14525 . . 89 GLN H . 53491 2 483 . 2 . 2 90 90 GLN C C 13 174.9226 0.0000 . 1 . . 25842 . . 89 GLN C . 53491 2 484 . 2 . 2 90 90 GLN CA C 13 52.3430 0.0000 . 1 . . 25848 . . 89 GLN CA . 53491 2 485 . 2 . 2 90 90 GLN CB C 13 29.5224 0.0000 . 1 . . 25847 . . 89 GLN CB . 53491 2 486 . 2 . 2 90 90 GLN N N 15 121.1221 0.0000 . 1 . . 14527 . . 89 GLN N . 53491 2 487 . 2 . 2 91 91 TRP C C 13 175.4024 0.0000 . 1 . . 25815 . . 90 TRP C . 53491 2 488 . 2 . 2 91 91 TRP CA C 13 56.9273 0.0000 . 1 . . 32430 . . 90 TRP CA . 53491 2 489 . 2 . 2 91 91 TRP CB C 13 31.1051 0.0000 . 1 . . 32445 . . 90 TRP CB . 53491 2 490 . 2 . 2 92 92 THR H H 1 8.8718 0.0000 . 1 . . 15572 . . 91 THR H . 53491 2 491 . 2 . 2 92 92 THR C C 13 174.7574 0.0000 . 1 . . 32424 . . 91 THR C . 53491 2 492 . 2 . 2 92 92 THR CA C 13 65.7861 0.0000 . 1 . . 32436 . . 91 THR CA . 53491 2 493 . 2 . 2 92 92 THR CB C 13 69.8789 0.0000 . 1 . . 25816 . . 91 THR CB . 53491 2 494 . 2 . 2 92 92 THR N N 15 121.6025 0.0000 . 1 . . 15574 . . 91 THR N . 53491 2 495 . 2 . 2 93 93 SER H H 1 8.2331 0.0000 . 1 . . 21659 . . 92 SER H . 53491 2 496 . 2 . 2 93 93 SER C C 13 172.0639 0.0000 . 1 . . 36009 . . 92 SER C . 53491 2 497 . 2 . 2 93 93 SER CA C 13 55.9566 0.0000 . 1 . . 36074 . . 92 SER CA . 53491 2 498 . 2 . 2 93 93 SER CB C 13 64.9530 0.0000 . 1 . . 26725 . . 92 SER CB . 53491 2 499 . 2 . 2 93 93 SER N N 15 115.6149 0.0000 . 1 . . 21661 . . 92 SER N . 53491 2 500 . 2 . 2 94 94 ASN H H 1 8.1656 0.0000 . 1 . . 17879 . . 93 ASN H . 53491 2 501 . 2 . 2 94 94 ASN C C 13 174.2473 0.0000 . 1 . . 26133 . . 93 ASN C . 53491 2 502 . 2 . 2 94 94 ASN CA C 13 50.9221 0.0000 . 1 . . 26140 . . 93 ASN CA . 53491 2 503 . 2 . 2 94 94 ASN CB C 13 39.1922 0.0000 . 1 . . 34059 . . 93 ASN CB . 53491 2 504 . 2 . 2 94 94 ASN N N 15 119.3829 0.0000 . 1 . . 17881 . . 93 ASN N . 53491 2 505 . 2 . 2 96 96 PRO C C 13 176.5890 0.0000 . 1 . . 27723 . . 95 PRO C . 53491 2 506 . 2 . 2 96 96 PRO CA C 13 62.5828 0.0000 . 1 . . 27719 . . 95 PRO CA . 53491 2 507 . 2 . 2 96 96 PRO CB C 13 30.3038 0.0000 . 1 . . 46479 . . 95 PRO CB . 53491 2 508 . 2 . 2 97 97 THR H H 1 7.2786 0.0000 . 1 . . 15008 . . 96 THR H . 53491 2 509 . 2 . 2 97 97 THR C C 13 172.1484 0.0000 . 1 . . 27715 . . 96 THR C . 53491 2 510 . 2 . 2 97 97 THR CA C 13 58.6413 0.0000 . 1 . . 27716 . . 96 THR CA . 53491 2 511 . 2 . 2 97 97 THR CB C 13 73.3973 0.0000 . 1 . . 27721 . . 96 THR CB . 53491 2 512 . 2 . 2 97 97 THR N N 15 108.1429 0.0000 . 1 . . 15010 . . 96 THR N . 53491 2 513 . 2 . 2 98 98 PHE H H 1 8.8082 0.0000 . 1 . . 14726 . . 97 PHE H . 53491 2 514 . 2 . 2 98 98 PHE C C 13 178.4740 0.0000 . 1 . . 26495 . . 97 PHE C . 53491 2 515 . 2 . 2 98 98 PHE CA C 13 55.8350 0.0000 . 1 . . 26503 . . 97 PHE CA . 53491 2 516 . 2 . 2 98 98 PHE CB C 13 42.8703 0.0000 . 1 . . 26501 . . 97 PHE CB . 53491 2 517 . 2 . 2 98 98 PHE N N 15 117.1639 0.0000 . 1 . . 14728 . . 97 PHE N . 53491 2 518 . 2 . 2 99 99 GLY H H 1 9.0715 0.0000 . 1 . . 14966 . . 98 GLY H . 53491 2 519 . 2 . 2 99 99 GLY C C 13 173.9943 0.0000 . 1 . . 27561 . . 98 GLY C . 53491 2 520 . 2 . 2 99 99 GLY CA C 13 44.5183 0.0000 . 1 . . 27569 . . 98 GLY CA . 53491 2 521 . 2 . 2 99 99 GLY N N 15 109.6131 0.0000 . 1 . . 14968 . . 98 GLY N . 53491 2 522 . 2 . 2 100 100 GLY H H 1 8.0605 0.0000 . 1 . . 18761 . . 99 GLY H . 53491 2 523 . 2 . 2 100 100 GLY C C 13 175.5988 0.0000 . 1 . . 27760 . . 99 GLY C . 53491 2 524 . 2 . 2 100 100 GLY CA C 13 45.7690 0.0000 . 1 . . 27761 . . 99 GLY CA . 53491 2 525 . 2 . 2 100 100 GLY N N 15 103.8063 0.0000 . 1 . . 18763 . . 99 GLY N . 53491 2 526 . 2 . 2 101 101 GLY H H 1 7.5613 0.0000 . 1 . . 14999 . . 100 GLY H . 53491 2 527 . 2 . 2 101 101 GLY C C 13 172.8131 0.0000 . 1 . . 27674 . . 100 GLY C . 53491 2 528 . 2 . 2 101 101 GLY CA C 13 44.5025 0.0000 . 1 . . 27675 . . 100 GLY CA . 53491 2 529 . 2 . 2 101 101 GLY N N 15 108.4759 0.0000 . 1 . . 15001 . . 100 GLY N . 53491 2 530 . 2 . 2 102 102 THR H H 1 8.0533 0.0000 . 1 . . 14585 . . 101 THR H . 53491 2 531 . 2 . 2 102 102 THR C C 13 173.5818 0.0000 . 1 . . 26035 . . 101 THR C . 53491 2 532 . 2 . 2 102 102 THR CA C 13 62.0390 0.0000 . 1 . . 26038 . . 101 THR CA . 53491 2 533 . 2 . 2 102 102 THR CB C 13 72.6125 0.0000 . 1 . . 26040 . . 101 THR CB . 53491 2 534 . 2 . 2 102 102 THR N N 15 119.9421 0.0000 . 1 . . 14587 . . 101 THR N . 53491 2 535 . 2 . 2 103 103 LYS H H 1 8.5993 0.0000 . 1 . . 17003 . . 102 LYS H . 53491 2 536 . 2 . 2 103 103 LYS C C 13 173.4731 0.0000 . 1 . . 24426 . . 102 LYS C . 53491 2 537 . 2 . 2 103 103 LYS CA C 13 55.1664 0.0000 . 1 . . 24431 . . 102 LYS CA . 53491 2 538 . 2 . 2 103 103 LYS CB C 13 33.2117 0.0000 . 1 . . 24434 . . 102 LYS CB . 53491 2 539 . 2 . 2 103 103 LYS N N 15 130.6871 0.0000 . 1 . . 17005 . . 102 LYS N . 53491 2 540 . 2 . 2 104 104 LEU H H 1 9.0450 0.0000 . 1 . . 14042 . . 103 LEU H . 53491 2 541 . 2 . 2 104 104 LEU HD11 H 1 0.8270 0.0000 . 2 . . . . . 103 LEU HD11 . 53491 2 542 . 2 . 2 104 104 LEU HD12 H 1 0.8270 0.0000 . 2 . . . . . 103 LEU HD11 . 53491 2 543 . 2 . 2 104 104 LEU HD13 H 1 0.8270 0.0000 . 2 . . . . . 103 LEU HD11 . 53491 2 544 . 2 . 2 104 104 LEU HD21 H 1 0.7450 0.0000 . 2 . . . . . 103 LEU HD21 . 53491 2 545 . 2 . 2 104 104 LEU HD22 H 1 0.7450 0.0000 . 2 . . . . . 103 LEU HD21 . 53491 2 546 . 2 . 2 104 104 LEU HD23 H 1 0.7450 0.0000 . 2 . . . . . 103 LEU HD21 . 53491 2 547 . 2 . 2 104 104 LEU C C 13 174.9474 0.0000 . 1 . . 24413 . . 103 LEU C . 53491 2 548 . 2 . 2 104 104 LEU CA C 13 53.8075 0.0000 . 1 . . 24416 . . 103 LEU CA . 53491 2 549 . 2 . 2 104 104 LEU CB C 13 43.5728 0.0000 . 1 . . 24420 . . 103 LEU CB . 53491 2 550 . 2 . 2 104 104 LEU CD1 C 13 25.6160 0.0000 . 2 . . . . . 103 LEU CD1 . 53491 2 551 . 2 . 2 104 104 LEU CD2 C 13 26.1050 0.0000 . 2 . . . . . 103 LEU CD2 . 53491 2 552 . 2 . 2 104 104 LEU N N 15 131.2081 0.0000 . 1 . . 14044 . . 103 LEU N . 53491 2 553 . 2 . 2 105 105 GLU H H 1 9.2787 0.0000 . 1 . . 14072 . . 104 GLU H . 53491 2 554 . 2 . 2 105 105 GLU C C 13 173.9229 0.0000 . 1 . . 24473 . . 104 GLU C . 53491 2 555 . 2 . 2 105 105 GLU CA C 13 53.8561 0.0000 . 1 . . 24475 . . 104 GLU CA . 53491 2 556 . 2 . 2 105 105 GLU CB C 13 31.6769 0.0000 . 1 . . 24480 . . 104 GLU CB . 53491 2 557 . 2 . 2 105 105 GLU N N 15 129.5911 0.0000 . 1 . . 14074 . . 104 GLU N . 53491 2 558 . 2 . 2 106 106 ILE H H 1 8.7200 0.0000 . 1 . . 14342 . . 105 ILE H . 53491 2 559 . 2 . 2 106 106 ILE HD11 H 1 0.4870 0.0000 . 1 . . . . . 105 ILE HD11 . 53491 2 560 . 2 . 2 106 106 ILE HD12 H 1 0.4870 0.0000 . 1 . . . . . 105 ILE HD11 . 53491 2 561 . 2 . 2 106 106 ILE HD13 H 1 0.4870 0.0000 . 1 . . . . . 105 ILE HD11 . 53491 2 562 . 2 . 2 106 106 ILE C C 13 176.0410 0.0000 . 1 . . 25284 . . 105 ILE C . 53491 2 563 . 2 . 2 106 106 ILE CA C 13 57.3739 0.0000 . 1 . . 25294 . . 105 ILE CA . 53491 2 564 . 2 . 2 106 106 ILE CB C 13 35.4434 0.0000 . 1 . . 25291 . . 105 ILE CB . 53491 2 565 . 2 . 2 106 106 ILE CD1 C 13 8.4160 0.0000 . 1 . . . . . 105 ILE CD1 . 53491 2 566 . 2 . 2 106 106 ILE N N 15 124.3220 0.0000 . 1 . . 14344 . . 105 ILE N . 53491 2 567 . 2 . 2 107 107 LYS H H 1 8.2568 0.0000 . 1 . . 19556 . . 106 LYS H . 53491 2 568 . 2 . 2 107 107 LYS C C 13 174.6277 0.0000 . 1 . . 24440 . . 106 LYS C . 53491 2 569 . 2 . 2 107 107 LYS CA C 13 54.9455 0.0000 . 1 . . 24443 . . 106 LYS CA . 53491 2 570 . 2 . 2 107 107 LYS CB C 13 32.3078 0.0000 . 1 . . 24441 . . 106 LYS CB . 53491 2 571 . 2 . 2 107 107 LYS N N 15 129.8343 0.0000 . 1 . . 19558 . . 106 LYS N . 53491 2 572 . 2 . 2 108 108 ARG H H 1 5.8375 0.0000 . 1 . . 14612 . . 107 ARG H . 53491 2 573 . 2 . 2 108 108 ARG C C 13 174.0963 0.0000 . 1 . . 26109 . . 107 ARG C . 53491 2 574 . 2 . 2 108 108 ARG CA C 13 53.8321 0.0000 . 1 . . 26112 . . 107 ARG CA . 53491 2 575 . 2 . 2 108 108 ARG CB C 13 29.2904 0.0000 . 1 . . 26116 . . 107 ARG CB . 53491 2 576 . 2 . 2 108 108 ARG N N 15 119.3188 0.0000 . 1 . . 14614 . . 107 ARG N . 53491 2 577 . 2 . 2 109 109 THR H H 1 7.5874 0.0000 . 1 . . 22307 . . 108 THR H . 53491 2 578 . 2 . 2 109 109 THR C C 13 175.5939 0.0000 . 1 . . 27616 . . 108 THR C . 53491 2 579 . 2 . 2 109 109 THR CA C 13 61.6361 0.0000 . 1 . . 27623 . . 108 THR CA . 53491 2 580 . 2 . 2 109 109 THR CB C 13 69.6693 0.0000 . 1 . . 27622 . . 108 THR CB . 53491 2 581 . 2 . 2 109 109 THR N N 15 109.3155 0.0000 . 1 . . 22309 . . 108 THR N . 53491 2 582 . 2 . 2 110 110 VAL H H 1 8.3018 0.0000 . 1 . . 48602 . . 109 VAL H . 53491 2 583 . 2 . 2 110 110 VAL HG11 H 1 1.1130 0.0000 . 2 . . . . . 109 VAL HG11 . 53491 2 584 . 2 . 2 110 110 VAL HG12 H 1 1.1130 0.0000 . 2 . . . . . 109 VAL HG11 . 53491 2 585 . 2 . 2 110 110 VAL HG13 H 1 1.1130 0.0000 . 2 . . . . . 109 VAL HG11 . 53491 2 586 . 2 . 2 110 110 VAL HG21 H 1 1.2270 0.0000 . 2 . . . . . 109 VAL HG21 . 53491 2 587 . 2 . 2 110 110 VAL HG22 H 1 1.2270 0.0000 . 2 . . . . . 109 VAL HG21 . 53491 2 588 . 2 . 2 110 110 VAL HG23 H 1 1.2270 0.0000 . 2 . . . . . 109 VAL HG21 . 53491 2 589 . 2 . 2 110 110 VAL C C 13 175.4303 0.0000 . 1 . . 49622 . . 109 VAL C . 53491 2 590 . 2 . 2 110 110 VAL CA C 13 63.7814 0.0000 . 1 . . 24369 . . 109 VAL CA . 53491 2 591 . 2 . 2 110 110 VAL CB C 13 31.3021 0.0000 . 1 . . 49634 . . 109 VAL CB . 53491 2 592 . 2 . 2 110 110 VAL CG1 C 13 20.9160 0.0000 . 2 . . . . . 109 VAL CG1 . 53491 2 593 . 2 . 2 110 110 VAL CG2 C 13 22.5220 0.0000 . 2 . . . . . 109 VAL CG2 . 53491 2 594 . 2 . 2 110 110 VAL N N 15 123.0293 0.0000 . 1 . . 48604 . . 109 VAL N . 53491 2 595 . 2 . 2 111 111 ALA H H 1 9.5381 0.0000 . 1 . . 14018 . . 110 ALA H . 53491 2 596 . 2 . 2 111 111 ALA C C 13 175.7712 0.0000 . 1 . . 24362 . . 110 ALA C . 53491 2 597 . 2 . 2 111 111 ALA CA C 13 50.6365 0.0000 . 1 . . 24366 . . 110 ALA CA . 53491 2 598 . 2 . 2 111 111 ALA CB C 13 19.9419 0.0000 . 1 . . 27782 . . 110 ALA CB . 53491 2 599 . 2 . 2 111 111 ALA N N 15 131.9208 0.0000 . 1 . . 14020 . . 110 ALA N . 53491 2 600 . 2 . 2 112 112 ALA H H 1 8.6928 0.0000 . 1 . . 15287 . . 111 ALA H . 53491 2 601 . 2 . 2 112 112 ALA C C 13 174.7648 0.0000 . 1 . . 24880 . . 111 ALA C . 53491 2 602 . 2 . 2 112 112 ALA CA C 13 49.4628 0.0000 . 1 . . 24888 . . 111 ALA CA . 53491 2 603 . 2 . 2 112 112 ALA CB C 13 16.8554 0.0000 . 1 . . 28864 . . 111 ALA CB . 53491 2 604 . 2 . 2 112 112 ALA N N 15 125.8255 0.0000 . 1 . . 15289 . . 111 ALA N . 53491 2 605 . 2 . 2 113 113 PRO C C 13 177.0418 0.0000 . 1 . . 26404 . . 112 PRO C . 53491 2 606 . 2 . 2 113 113 PRO CA C 13 61.8682 0.0000 . 1 . . 26395 . . 112 PRO CA . 53491 2 607 . 2 . 2 113 113 PRO CB C 13 30.1734 0.0000 . 1 . . 26403 . . 112 PRO CB . 53491 2 608 . 2 . 2 114 114 SER H H 1 7.9310 0.0000 . 1 . . 14717 . . 113 SER H . 53491 2 609 . 2 . 2 114 114 SER C C 13 173.6185 0.0000 . 1 . . 26393 . . 113 SER C . 53491 2 610 . 2 . 2 114 114 SER CA C 13 57.7520 0.0000 . 1 . . 26396 . . 113 SER CA . 53491 2 611 . 2 . 2 114 114 SER CB C 13 63.2323 0.0000 . 1 . . 26402 . . 113 SER CB . 53491 2 612 . 2 . 2 114 114 SER N N 15 117.4628 0.0000 . 1 . . 14719 . . 113 SER N . 53491 2 613 . 2 . 2 115 115 VAL H H 1 8.0713 0.0000 . 1 . . 14234 . . 114 VAL H . 53491 2 614 . 2 . 2 115 115 VAL HG11 H 1 0.6140 0.0000 . 2 . . . . . 114 VAL HG11 . 53491 2 615 . 2 . 2 115 115 VAL HG12 H 1 0.6140 0.0000 . 2 . . . . . 114 VAL HG11 . 53491 2 616 . 2 . 2 115 115 VAL HG13 H 1 0.6140 0.0000 . 2 . . . . . 114 VAL HG11 . 53491 2 617 . 2 . 2 115 115 VAL HG21 H 1 0.6640 0.0000 . 2 . . . . . 114 VAL HG21 . 53491 2 618 . 2 . 2 115 115 VAL HG22 H 1 0.6640 0.0000 . 2 . . . . . 114 VAL HG21 . 53491 2 619 . 2 . 2 115 115 VAL HG23 H 1 0.6640 0.0000 . 2 . . . . . 114 VAL HG21 . 53491 2 620 . 2 . 2 115 115 VAL C C 13 174.3320 0.0000 . 1 . . 24954 . . 114 VAL C . 53491 2 621 . 2 . 2 115 115 VAL CA C 13 60.6674 0.0000 . 1 . . 24962 . . 114 VAL CA . 53491 2 622 . 2 . 2 115 115 VAL CB C 13 32.6612 0.0000 . 1 . . 24958 . . 114 VAL CB . 53491 2 623 . 2 . 2 115 115 VAL CG1 C 13 21.2810 0.0000 . 2 . . . . . 114 VAL CG1 . 53491 2 624 . 2 . 2 115 115 VAL CG2 C 13 21.7420 0.0000 . 2 . . . . . 114 VAL CG2 . 53491 2 625 . 2 . 2 115 115 VAL N N 15 125.8130 0.0000 . 1 . . 14236 . . 114 VAL N . 53491 2 626 . 2 . 2 116 116 PHE H H 1 9.0005 0.0000 . 1 . . 14279 . . 115 PHE H . 53491 2 627 . 2 . 2 116 116 PHE C C 13 172.7215 0.0000 . 1 . . 25087 . . 115 PHE C . 53491 2 628 . 2 . 2 116 116 PHE CA C 13 55.5278 0.0000 . 1 . . 25089 . . 115 PHE CA . 53491 2 629 . 2 . 2 116 116 PHE CB C 13 42.5541 0.0000 . 1 . . 25091 . . 115 PHE CB . 53491 2 630 . 2 . 2 116 116 PHE N N 15 125.1679 0.0000 . 1 . . 14281 . . 115 PHE N . 53491 2 631 . 2 . 2 117 117 ILE H H 1 8.2512 0.0000 . 1 . . 14567 . . 116 ILE H . 53491 2 632 . 2 . 2 117 117 ILE HD11 H 1 1.1030 0.0000 . 1 . . . . . 116 ILE HD11 . 53491 2 633 . 2 . 2 117 117 ILE HD12 H 1 1.1030 0.0000 . 1 . . . . . 116 ILE HD11 . 53491 2 634 . 2 . 2 117 117 ILE HD13 H 1 1.1030 0.0000 . 1 . . . . . 116 ILE HD11 . 53491 2 635 . 2 . 2 117 117 ILE C C 13 172.5397 0.0000 . 1 . . 25992 . . 116 ILE C . 53491 2 636 . 2 . 2 117 117 ILE CA C 13 58.4230 0.0000 . 1 . . 25999 . . 116 ILE CA . 53491 2 637 . 2 . 2 117 117 ILE CB C 13 41.8134 0.0000 . 1 . . 26000 . . 116 ILE CB . 53491 2 638 . 2 . 2 117 117 ILE CD1 C 13 15.0330 0.0000 . 1 . . . . . 116 ILE CD1 . 53491 2 639 . 2 . 2 117 117 ILE N N 15 120.3387 0.0000 . 1 . . 14569 . . 116 ILE N . 53491 2 640 . 2 . 2 118 118 PHE H H 1 9.2186 0.0000 . 1 . . 14261 . . 117 PHE H . 53491 2 641 . 2 . 2 118 118 PHE C C 13 173.0387 0.0000 . 1 . . 25039 . . 117 PHE C . 53491 2 642 . 2 . 2 118 118 PHE CA C 13 53.5600 0.0000 . 1 . . 25044 . . 117 PHE CA . 53491 2 643 . 2 . 2 118 118 PHE CB C 13 40.7058 0.0000 . 1 . . 25048 . . 117 PHE CB . 53491 2 644 . 2 . 2 118 118 PHE N N 15 125.5165 0.0000 . 1 . . 14263 . . 117 PHE N . 53491 2 645 . 2 . 2 120 120 PRO C C 13 176.7649 0.0000 . 1 . . 26153 . . 119 PRO C . 53491 2 646 . 2 . 2 120 120 PRO CA C 13 61.9124 0.0000 . 1 . . 26155 . . 119 PRO CA . 53491 2 647 . 2 . 2 120 120 PRO CB C 13 30.3926 0.0000 . 1 . . 26157 . . 119 PRO CB . 53491 2 648 . 2 . 2 121 121 SER H H 1 9.3120 0.0000 . 1 . . 14624 . . 120 SER H . 53491 2 649 . 2 . 2 121 121 SER C C 13 175.1920 0.0000 . 1 . . 53772 . . 120 SER C . 53491 2 650 . 2 . 2 121 121 SER CB C 13 64.8950 0.0000 . 1 . . 53784 . . 120 SER CB . 53491 2 651 . 2 . 2 121 121 SER N N 15 119.1211 0.0000 . 1 . . 14626 . . 120 SER N . 53491 2 652 . 2 . 2 122 122 ASP H H 1 8.8657 0.0000 . 1 . . 20273 . . 121 ASP H . 53491 2 653 . 2 . 2 122 122 ASP C C 13 179.2216 0.0000 . 1 . . 50334 . . 121 ASP C . 53491 2 654 . 2 . 2 122 122 ASP CA C 13 57.3146 0.0000 . 1 . . 50342 . . 121 ASP CA . 53491 2 655 . 2 . 2 122 122 ASP N N 15 124.5399 0.0000 . 1 . . 20275 . . 121 ASP N . 53491 2 656 . 2 . 2 123 123 GLU H H 1 8.6949 0.0000 . 1 . . 21188 . . 122 GLU H . 53491 2 657 . 2 . 2 123 123 GLU C C 13 178.8016 0.0000 . 1 . . 26219 . . 122 GLU C . 53491 2 658 . 2 . 2 123 123 GLU CA C 13 59.2644 0.0000 . 1 . . 26221 . . 122 GLU CA . 53491 2 659 . 2 . 2 123 123 GLU CB C 13 28.9643 0.0000 . 1 . . 26222 . . 122 GLU CB . 53491 2 660 . 2 . 2 123 123 GLU N N 15 118.7770 0.0000 . 1 . . 21190 . . 122 GLU N . 53491 2 661 . 2 . 2 124 124 GLN H H 1 7.5921 0.0000 . 1 . . 20795 . . 123 GLN H . 53491 2 662 . 2 . 2 124 124 GLN C C 13 179.6934 0.0000 . 1 . . 25829 . . 123 GLN C . 53491 2 663 . 2 . 2 124 124 GLN CA C 13 58.6234 0.0000 . 1 . . 25833 . . 123 GLN CA . 53491 2 664 . 2 . 2 124 124 GLN CB C 13 25.5662 0.0000 . 1 . . 25836 . . 123 GLN CB . 53491 2 665 . 2 . 2 124 124 GLN N N 15 121.2110 0.0000 . 1 . . 20797 . . 123 GLN N . 53491 2 666 . 2 . 2 125 125 LEU H H 1 7.7445 0.0000 . 1 . . 15575 . . 124 LEU H . 53491 2 667 . 2 . 2 125 125 LEU HD11 H 1 0.6280 0.0000 . 2 . . . . . 124 LEU HD11 . 53491 2 668 . 2 . 2 125 125 LEU HD12 H 1 0.6280 0.0000 . 2 . . . . . 124 LEU HD11 . 53491 2 669 . 2 . 2 125 125 LEU HD13 H 1 0.6280 0.0000 . 2 . . . . . 124 LEU HD11 . 53491 2 670 . 2 . 2 125 125 LEU HD21 H 1 0.8990 0.0000 . 2 . . . . . 124 LEU HD21 . 53491 2 671 . 2 . 2 125 125 LEU HD22 H 1 0.8990 0.0000 . 2 . . . . . 124 LEU HD21 . 53491 2 672 . 2 . 2 125 125 LEU HD23 H 1 0.8990 0.0000 . 2 . . . . . 124 LEU HD21 . 53491 2 673 . 2 . 2 125 125 LEU C C 13 180.1108 0.0000 . 1 . . 25799 . . 124 LEU C . 53491 2 674 . 2 . 2 125 125 LEU CA C 13 57.6837 0.0000 . 1 . . 25807 . . 124 LEU CA . 53491 2 675 . 2 . 2 125 125 LEU CB C 13 40.5892 0.0000 . 1 . . 25805 . . 124 LEU CB . 53491 2 676 . 2 . 2 125 125 LEU CD1 C 13 23.4410 0.0000 . 2 . . . . . 124 LEU CD1 . 53491 2 677 . 2 . 2 125 125 LEU CD2 C 13 25.3370 0.0000 . 2 . . . . . 124 LEU CD2 . 53491 2 678 . 2 . 2 125 125 LEU N N 15 121.4431 0.0000 . 1 . . 15577 . . 124 LEU N . 53491 2 679 . 2 . 2 126 126 LYS H H 1 7.5600 0.0000 . 1 . . 14657 . . 125 LYS H . 53491 2 680 . 2 . 2 126 126 LYS C C 13 177.9152 0.0000 . 1 . . 26280 . . 125 LYS C . 53491 2 681 . 2 . 2 126 126 LYS CA C 13 58.4799 0.0000 . 1 . . 26286 . . 125 LYS CA . 53491 2 682 . 2 . 2 126 126 LYS CB C 13 31.4002 0.0000 . 1 . . 26284 . . 125 LYS CB . 53491 2 683 . 2 . 2 126 126 LYS N N 15 118.1163 0.0000 . 1 . . 14659 . . 125 LYS N . 53491 2 684 . 2 . 2 127 127 SER H H 1 7.9216 0.0000 . 1 . . 14876 . . 126 SER H . 53491 2 685 . 2 . 2 127 127 SER C C 13 175.4517 0.0000 . 1 . . 26912 . . 126 SER C . 53491 2 686 . 2 . 2 127 127 SER CA C 13 58.9584 0.0000 . 1 . . 26915 . . 126 SER CA . 53491 2 687 . 2 . 2 127 127 SER CB C 13 64.2904 0.0000 . 1 . . 26920 . . 126 SER CB . 53491 2 688 . 2 . 2 127 127 SER N N 15 114.4242 0.0000 . 1 . . 14878 . . 126 SER N . 53491 2 689 . 2 . 2 128 128 GLY H H 1 7.8918 0.0000 . 1 . . 14993 . . 127 GLY H . 53491 2 690 . 2 . 2 128 128 GLY C C 13 174.4334 0.0000 . 1 . . 27701 . . 127 GLY C . 53491 2 691 . 2 . 2 128 128 GLY CA C 13 45.6259 0.0000 . 1 . . 27708 . . 127 GLY CA . 53491 2 692 . 2 . 2 128 128 GLY N N 15 108.3455 0.0000 . 1 . . 14995 . . 127 GLY N . 53491 2 693 . 2 . 2 129 129 THR H H 1 7.4661 0.0000 . 1 . . 21518 . . 128 THR H . 53491 2 694 . 2 . 2 129 129 THR C C 13 169.7359 0.0000 . 1 . . 26556 . . 128 THR C . 53491 2 695 . 2 . 2 129 129 THR CA C 13 61.0527 0.0000 . 1 . . 26558 . . 128 THR CA . 53491 2 696 . 2 . 2 129 129 THR CB C 13 71.8988 0.0000 . 1 . . 26563 . . 128 THR CB . 53491 2 697 . 2 . 2 129 129 THR N N 15 116.7773 0.0000 . 1 . . 21520 . . 128 THR N . 53491 2 698 . 2 . 2 130 130 ALA H H 1 8.5979 0.0000 . 1 . . 20726 . . 129 ALA H . 53491 2 699 . 2 . 2 130 130 ALA C C 13 174.5392 0.0000 . 1 . . 25703 . . 129 ALA C . 53491 2 700 . 2 . 2 130 130 ALA CA C 13 50.2098 0.0000 . 1 . . 25705 . . 129 ALA CA . 53491 2 701 . 2 . 2 130 130 ALA CB C 13 21.2989 0.0000 . 1 . . 32309 . . 129 ALA CB . 53491 2 702 . 2 . 2 130 130 ALA N N 15 122.1425 0.0000 . 1 . . 20728 . . 129 ALA N . 53491 2 703 . 2 . 2 131 131 SER H H 1 7.4938 0.0000 . 1 . . 14720 . . 130 SER H . 53491 2 704 . 2 . 2 131 131 SER C C 13 172.1582 0.0000 . 1 . . 26443 . . 130 SER C . 53491 2 705 . 2 . 2 131 131 SER CA C 13 57.2479 0.0000 . 1 . . 26446 . . 130 SER CA . 53491 2 706 . 2 . 2 131 131 SER CB C 13 61.8429 0.0000 . 1 . . 26448 . . 130 SER CB . 53491 2 707 . 2 . 2 131 131 SER N N 15 117.3671 0.0000 . 1 . . 14722 . . 130 SER N . 53491 2 708 . 2 . 2 132 132 VAL H H 1 9.0849 0.0000 . 1 . . 14162 . . 131 VAL H . 53491 2 709 . 2 . 2 132 132 VAL HG11 H 1 1.3870 0.0000 . 2 . . . . . 131 VAL HG11 . 53491 2 710 . 2 . 2 132 132 VAL HG12 H 1 1.3870 0.0000 . 2 . . . . . 131 VAL HG11 . 53491 2 711 . 2 . 2 132 132 VAL HG13 H 1 1.3870 0.0000 . 2 . . . . . 131 VAL HG11 . 53491 2 712 . 2 . 2 132 132 VAL HG21 H 1 0.6020 0.0000 . 2 . . . . . 131 VAL HG21 . 53491 2 713 . 2 . 2 132 132 VAL HG22 H 1 0.6020 0.0000 . 2 . . . . . 131 VAL HG21 . 53491 2 714 . 2 . 2 132 132 VAL HG23 H 1 0.6020 0.0000 . 2 . . . . . 131 VAL HG21 . 53491 2 715 . 2 . 2 132 132 VAL C C 13 174.8024 0.0000 . 1 . . 24757 . . 131 VAL C . 53491 2 716 . 2 . 2 132 132 VAL CA C 13 60.3003 0.0000 . 1 . . 24764 . . 131 VAL CA . 53491 2 717 . 2 . 2 132 132 VAL CB C 13 31.6991 0.0000 . 1 . . 24762 . . 131 VAL CB . 53491 2 718 . 2 . 2 132 132 VAL CG1 C 13 24.8020 0.0000 . 2 . . . . . 131 VAL CG1 . 53491 2 719 . 2 . 2 132 132 VAL CG2 C 13 20.4470 0.0000 . 2 . . . . . 131 VAL CG2 . 53491 2 720 . 2 . 2 132 132 VAL N N 15 127.1491 0.0000 . 1 . . 14164 . . 131 VAL N . 53491 2 721 . 2 . 2 133 133 VAL H H 1 7.9440 0.0000 . 1 . . 14231 . . 132 VAL H . 53491 2 722 . 2 . 2 133 133 VAL HG11 H 1 0.8800 0.0000 . 2 . . . . . 132 VAL HG11 . 53491 2 723 . 2 . 2 133 133 VAL HG12 H 1 0.8800 0.0000 . 2 . . . . . 132 VAL HG11 . 53491 2 724 . 2 . 2 133 133 VAL HG13 H 1 0.8800 0.0000 . 2 . . . . . 132 VAL HG11 . 53491 2 725 . 2 . 2 133 133 VAL HG21 H 1 0.7810 0.0000 . 2 . . . . . 132 VAL HG21 . 53491 2 726 . 2 . 2 133 133 VAL HG22 H 1 0.7810 0.0000 . 2 . . . . . 132 VAL HG21 . 53491 2 727 . 2 . 2 133 133 VAL HG23 H 1 0.7810 0.0000 . 2 . . . . . 132 VAL HG21 . 53491 2 728 . 2 . 2 133 133 VAL C C 13 174.2526 0.0000 . 1 . . 24926 . . 132 VAL C . 53491 2 729 . 2 . 2 133 133 VAL CA C 13 61.2359 0.0000 . 1 . . 24934 . . 132 VAL CA . 53491 2 730 . 2 . 2 133 133 VAL CB C 13 34.7289 0.0000 . 1 . . 24932 . . 132 VAL CB . 53491 2 731 . 2 . 2 133 133 VAL CG1 C 13 21.2730 0.0000 . 2 . . . . . 132 VAL CG1 . 53491 2 732 . 2 . 2 133 133 VAL CG2 C 13 20.2320 0.0000 . 2 . . . . . 132 VAL CG2 . 53491 2 733 . 2 . 2 133 133 VAL N N 15 125.8017 0.0000 . 1 . . 14233 . . 132 VAL N . 53491 2 734 . 2 . 2 134 134 CYS H H 1 9.7382 0.0000 . 1 . . 14114 . . 133 CYS H . 53491 2 735 . 2 . 2 134 134 CYS C C 13 171.9172 0.0000 . 1 . . 24641 . . 133 CYS C . 53491 2 736 . 2 . 2 134 134 CYS CA C 13 54.0095 0.0000 . 1 . . 24648 . . 133 CYS CA . 53491 2 737 . 2 . 2 134 134 CYS CB C 13 43.7932 0.0000 . 1 . . 24649 . . 133 CYS CB . 53491 2 738 . 2 . 2 134 134 CYS N N 15 128.0517 0.0000 . 1 . . 14116 . . 133 CYS N . 53491 2 739 . 2 . 2 135 135 LEU H H 1 9.4023 0.0000 . 1 . . 14084 . . 134 LEU H . 53491 2 740 . 2 . 2 135 135 LEU HD11 H 1 1.1240 0.0000 . 2 . . . . . 134 LEU HD11 . 53491 2 741 . 2 . 2 135 135 LEU HD12 H 1 1.1240 0.0000 . 2 . . . . . 134 LEU HD11 . 53491 2 742 . 2 . 2 135 135 LEU HD13 H 1 1.1240 0.0000 . 2 . . . . . 134 LEU HD11 . 53491 2 743 . 2 . 2 135 135 LEU HD21 H 1 0.8410 0.0000 . 2 . . . . . 134 LEU HD21 . 53491 2 744 . 2 . 2 135 135 LEU HD22 H 1 0.8410 0.0000 . 2 . . . . . 134 LEU HD21 . 53491 2 745 . 2 . 2 135 135 LEU HD23 H 1 0.8410 0.0000 . 2 . . . . . 134 LEU HD21 . 53491 2 746 . 2 . 2 135 135 LEU C C 13 173.0213 0.0000 . 1 . . 24510 . . 134 LEU C . 53491 2 747 . 2 . 2 135 135 LEU CA C 13 52.9554 0.0000 . 1 . . 28237 . . 134 LEU CA . 53491 2 748 . 2 . 2 135 135 LEU CB C 13 45.8999 0.0000 . 1 . . 24516 . . 134 LEU CB . 53491 2 749 . 2 . 2 135 135 LEU CD1 C 13 24.0680 0.0000 . 2 . . . . . 134 LEU CD1 . 53491 2 750 . 2 . 2 135 135 LEU CD2 C 13 26.0770 0.0000 . 2 . . . . . 134 LEU CD2 . 53491 2 751 . 2 . 2 135 135 LEU N N 15 128.6584 0.0000 . 1 . . 14086 . . 134 LEU N . 53491 2 752 . 2 . 2 136 136 LEU H H 1 9.5219 0.0000 . 1 . . 14096 . . 135 LEU H . 53491 2 753 . 2 . 2 136 136 LEU HD11 H 1 0.2340 0.0000 . 2 . . . . . 135 LEU HD11 . 53491 2 754 . 2 . 2 136 136 LEU HD12 H 1 0.2340 0.0000 . 2 . . . . . 135 LEU HD11 . 53491 2 755 . 2 . 2 136 136 LEU HD13 H 1 0.2340 0.0000 . 2 . . . . . 135 LEU HD11 . 53491 2 756 . 2 . 2 136 136 LEU HD21 H 1 0.6380 0.0000 . 2 . . . . . 135 LEU HD21 . 53491 2 757 . 2 . 2 136 136 LEU HD22 H 1 0.6380 0.0000 . 2 . . . . . 135 LEU HD21 . 53491 2 758 . 2 . 2 136 136 LEU HD23 H 1 0.6380 0.0000 . 2 . . . . . 135 LEU HD21 . 53491 2 759 . 2 . 2 136 136 LEU C C 13 175.0324 0.0000 . 1 . . 28278 . . 135 LEU C . 53491 2 760 . 2 . 2 136 136 LEU CA C 13 53.9670 0.0000 . 1 . . 24591 . . 135 LEU CA . 53491 2 761 . 2 . 2 136 136 LEU CB C 13 43.0221 0.0000 . 1 . . 24598 . . 135 LEU CB . 53491 2 762 . 2 . 2 136 136 LEU CD1 C 13 26.9850 0.0000 . 2 . . . . . 135 LEU CD1 . 53491 2 763 . 2 . 2 136 136 LEU CD2 C 13 22.7440 0.0000 . 2 . . . . . 135 LEU CD2 . 53491 2 764 . 2 . 2 136 136 LEU N N 15 128.3683 0.0000 . 1 . . 14098 . . 135 LEU N . 53491 2 765 . 2 . 2 137 137 ASN H H 1 9.4560 0.0000 . 1 . . 14402 . . 136 ASN H . 53491 2 766 . 2 . 2 137 137 ASN C C 13 175.1280 0.0000 . 1 . . 25462 . . 136 ASN C . 53491 2 767 . 2 . 2 137 137 ASN CA C 13 51.9385 0.0000 . 1 . . 25464 . . 136 ASN CA . 53491 2 768 . 2 . 2 137 137 ASN CB C 13 41.7478 0.0000 . 1 . . 25469 . . 136 ASN CB . 53491 2 769 . 2 . 2 137 137 ASN N N 15 123.0259 0.0000 . 1 . . 14404 . . 136 ASN N . 53491 2 770 . 2 . 2 138 138 ASN H H 1 8.2858 0.0000 . 1 . . 17603 . . 137 ASN H . 53491 2 771 . 2 . 2 138 138 ASN C C 13 172.0228 0.0000 . 1 . . 25451 . . 137 ASN C . 53491 2 772 . 2 . 2 138 138 ASN CA C 13 53.7905 0.0000 . 1 . . 25453 . . 137 ASN CA . 53491 2 773 . 2 . 2 138 138 ASN CB C 13 36.7002 0.0000 . 1 . . 25456 . . 137 ASN CB . 53491 2 774 . 2 . 2 138 138 ASN N N 15 123.0942 0.0000 . 1 . . 17605 . . 137 ASN N . 53491 2 775 . 2 . 2 139 139 PHE H H 1 9.1959 0.0000 . 1 . . 14753 . . 138 PHE H . 53491 2 776 . 2 . 2 139 139 PHE C C 13 174.2362 0.0000 . 1 . . 26507 . . 138 PHE C . 53491 2 777 . 2 . 2 139 139 PHE CA C 13 54.3478 0.0000 . 1 . . 26510 . . 138 PHE CA . 53491 2 778 . 2 . 2 139 139 PHE CB C 13 42.5890 0.0000 . 1 . . 26511 . . 138 PHE CB . 53491 2 779 . 2 . 2 139 139 PHE N N 15 117.0715 0.0000 . 1 . . 14755 . . 138 PHE N . 53491 2 780 . 2 . 2 140 140 TYR H H 1 9.3205 0.0000 . 1 . . 14549 . . 139 TYR H . 53491 2 781 . 2 . 2 140 140 TYR C C 13 174.7502 0.0000 . 1 . . 25930 . . 139 TYR C . 53491 2 782 . 2 . 2 140 140 TYR CA C 13 58.8494 0.0000 . 1 . . 25938 . . 139 TYR CA . 53491 2 783 . 2 . 2 140 140 TYR CB C 13 41.8411 0.0000 . 1 . . 33514 . . 139 TYR CB . 53491 2 784 . 2 . 2 140 140 TYR N N 15 120.3277 0.0000 . 1 . . 14551 . . 139 TYR N . 53491 2 785 . 2 . 2 141 141 PRO C C 13 175.4492 0.0000 . 1 . . 26305 . . 140 PRO C . 53491 2 786 . 2 . 2 141 141 PRO CA C 13 61.6633 0.0000 . 1 . . 26296 . . 140 PRO CA . 53491 2 787 . 2 . 2 141 141 PRO CB C 13 34.6409 0.0000 . 1 . . 26300 . . 140 PRO CB . 53491 2 788 . 2 . 2 142 142 ARG H H 1 8.2822 0.0000 . 1 . . 18032 . . 141 ARG H . 53491 2 789 . 2 . 2 142 142 ARG C C 13 175.7449 0.0000 . 1 . . 26297 . . 141 ARG C . 53491 2 790 . 2 . 2 142 142 ARG CA C 13 57.7740 0.0000 . 1 . . 26304 . . 141 ARG CA . 53491 2 791 . 2 . 2 142 142 ARG CB C 13 29.1998 0.0000 . 1 . . 26303 . . 141 ARG CB . 53491 2 792 . 2 . 2 142 142 ARG N N 15 117.9804 0.0000 . 1 . . 18034 . . 141 ARG N . 53491 2 793 . 2 . 2 143 143 GLU H H 1 7.3860 0.0000 . 1 . . 14738 . . 142 GLU H . 53491 2 794 . 2 . 2 143 143 GLU C C 13 174.8322 0.0000 . 1 . . 26471 . . 142 GLU C . 53491 2 795 . 2 . 2 143 143 GLU CA C 13 57.7294 0.0000 . 1 . . 35453 . . 142 GLU CA . 53491 2 796 . 2 . 2 143 143 GLU CB C 13 27.7472 0.0000 . 1 . . 26479 . . 142 GLU CB . 53491 2 797 . 2 . 2 143 143 GLU N N 15 117.1806 0.0000 . 1 . . 14740 . . 142 GLU N . 53491 2 798 . 2 . 2 144 144 ALA H H 1 7.6012 0.0000 . 1 . . 20054 . . 143 ALA H . 53491 2 799 . 2 . 2 144 144 ALA C C 13 175.4627 0.0000 . 1 . . 24911 . . 143 ALA C . 53491 2 800 . 2 . 2 144 144 ALA CA C 13 50.8277 0.0000 . 1 . . 24917 . . 143 ALA CA . 53491 2 801 . 2 . 2 144 144 ALA CB C 13 20.7390 0.0000 . 1 . . 24915 . . 143 ALA CB . 53491 2 802 . 2 . 2 144 144 ALA N N 15 125.7542 0.0000 . 1 . . 20056 . . 143 ALA N . 53491 2 803 . 2 . 2 145 145 LYS H H 1 8.1665 0.0000 . 1 . . 14498 . . 144 LYS H . 53491 2 804 . 2 . 2 145 145 LYS C C 13 174.3328 0.0000 . 1 . . 25769 . . 144 LYS C . 53491 2 805 . 2 . 2 145 145 LYS CA C 13 54.8502 0.0000 . 1 . . 25772 . . 144 LYS CA . 53491 2 806 . 2 . 2 145 145 LYS CB C 13 33.8580 0.0000 . 1 . . 25776 . . 144 LYS CB . 53491 2 807 . 2 . 2 145 145 LYS N N 15 121.8447 0.0000 . 1 . . 14500 . . 144 LYS N . 53491 2 808 . 2 . 2 146 146 VAL H H 1 8.5974 0.0000 . 1 . . 14225 . . 145 VAL H . 53491 2 809 . 2 . 2 146 146 VAL HG11 H 1 0.6670 0.0000 . 2 . . . . . 145 VAL HG11 . 53491 2 810 . 2 . 2 146 146 VAL HG12 H 1 0.6670 0.0000 . 2 . . . . . 145 VAL HG11 . 53491 2 811 . 2 . 2 146 146 VAL HG13 H 1 0.6670 0.0000 . 2 . . . . . 145 VAL HG11 . 53491 2 812 . 2 . 2 146 146 VAL HG21 H 1 0.4570 0.0000 . 2 . . . . . 145 VAL HG21 . 53491 2 813 . 2 . 2 146 146 VAL HG22 H 1 0.4570 0.0000 . 2 . . . . . 145 VAL HG21 . 53491 2 814 . 2 . 2 146 146 VAL HG23 H 1 0.4570 0.0000 . 2 . . . . . 145 VAL HG21 . 53491 2 815 . 2 . 2 146 146 VAL C C 13 175.3646 0.0000 . 1 . . 24940 . . 145 VAL C . 53491 2 816 . 2 . 2 146 146 VAL CA C 13 60.5532 0.0000 . 1 . . 24945 . . 145 VAL CA . 53491 2 817 . 2 . 2 146 146 VAL CB C 13 33.0439 0.0000 . 1 . . 24948 . . 145 VAL CB . 53491 2 818 . 2 . 2 146 146 VAL CG1 C 13 22.7030 0.0000 . 2 . . . . . 145 VAL CG1 . 53491 2 819 . 2 . 2 146 146 VAL CG2 C 13 21.0510 0.0000 . 2 . . . . . 145 VAL CG2 . 53491 2 820 . 2 . 2 146 146 VAL N N 15 125.8819 0.0000 . 1 . . 14227 . . 145 VAL N . 53491 2 821 . 2 . 2 147 147 GLN H H 1 8.8966 0.0000 . 1 . . 17282 . . 146 GLN H . 53491 2 822 . 2 . 2 147 147 GLN C C 13 173.9064 0.0000 . 1 . . 24779 . . 146 GLN C . 53491 2 823 . 2 . 2 147 147 GLN CA C 13 53.6609 0.0000 . 1 . . 24784 . . 146 GLN CA . 53491 2 824 . 2 . 2 147 147 GLN CB C 13 31.8073 0.0000 . 1 . . 24787 . . 146 GLN CB . 53491 2 825 . 2 . 2 147 147 GLN N N 15 126.2780 0.0000 . 1 . . 17284 . . 146 GLN N . 53491 2 826 . 2 . 2 148 148 TRP H H 1 9.0471 0.0000 . 1 . . 14348 . . 147 TRP H . 53491 2 827 . 2 . 2 148 148 TRP C C 13 176.3003 0.0000 . 1 . . 25272 . . 147 TRP C . 53491 2 828 . 2 . 2 148 148 TRP CA C 13 56.3673 0.0000 . 1 . . 25279 . . 147 TRP CA . 53491 2 829 . 2 . 2 148 148 TRP CB C 13 31.0148 0.0000 . 1 . . 30689 . . 147 TRP CB . 53491 2 830 . 2 . 2 148 148 TRP N N 15 124.3205 0.0000 . 1 . . 14350 . . 147 TRP N . 53491 2 831 . 2 . 2 149 149 LYS H H 1 9.3091 0.0000 . 1 . . 14462 . . 148 LYS H . 53491 2 832 . 2 . 2 149 149 LYS C C 13 175.2233 0.0000 . 1 . . 25625 . . 148 LYS C . 53491 2 833 . 2 . 2 149 149 LYS CA C 13 54.4445 0.0000 . 1 . . 25629 . . 148 LYS CA . 53491 2 834 . 2 . 2 149 149 LYS CB C 13 35.6861 0.0000 . 1 . . 25633 . . 148 LYS CB . 53491 2 835 . 2 . 2 149 149 LYS N N 15 122.0492 0.0000 . 1 . . 14464 . . 148 LYS N . 53491 2 836 . 2 . 2 150 150 VAL H H 1 8.1460 0.0000 . 1 . . 14393 . . 149 VAL H . 53491 2 837 . 2 . 2 150 150 VAL HG11 H 1 -0.0870 0.0000 . 2 . . . . . 149 VAL HG11 . 53491 2 838 . 2 . 2 150 150 VAL HG12 H 1 -0.0870 0.0000 . 2 . . . . . 149 VAL HG11 . 53491 2 839 . 2 . 2 150 150 VAL HG13 H 1 -0.0870 0.0000 . 2 . . . . . 149 VAL HG11 . 53491 2 840 . 2 . 2 150 150 VAL HG21 H 1 0.6770 0.0000 . 2 . . . . . 149 VAL HG21 . 53491 2 841 . 2 . 2 150 150 VAL HG22 H 1 0.6770 0.0000 . 2 . . . . . 149 VAL HG21 . 53491 2 842 . 2 . 2 150 150 VAL HG23 H 1 0.6770 0.0000 . 2 . . . . . 149 VAL HG21 . 53491 2 843 . 2 . 2 150 150 VAL C C 13 176.6292 0.0000 . 1 . . 25376 . . 149 VAL C . 53491 2 844 . 2 . 2 150 150 VAL CA C 13 59.9329 0.0000 . 1 . . 25381 . . 149 VAL CA . 53491 2 845 . 2 . 2 150 150 VAL CB C 13 33.2866 0.0000 . 1 . . 25379 . . 149 VAL CB . 53491 2 846 . 2 . 2 150 150 VAL CG1 C 13 20.7250 0.0000 . 2 . . . . . 149 VAL CG1 . 53491 2 847 . 2 . 2 150 150 VAL CG2 C 13 20.5050 0.0000 . 2 . . . . . 149 VAL CG2 . 53491 2 848 . 2 . 2 150 150 VAL N N 15 123.2593 0.0000 . 1 . . 14395 . . 149 VAL N . 53491 2 849 . 2 . 2 151 151 ASP H H 1 9.8317 0.0000 . 1 . . 14030 . . 150 ASP H . 53491 2 850 . 2 . 2 151 151 ASP C C 13 175.4361 0.0000 . 1 . . 24392 . . 150 ASP C . 53491 2 851 . 2 . 2 151 151 ASP CA C 13 56.2571 0.0000 . 1 . . 24397 . . 150 ASP CA . 53491 2 852 . 2 . 2 151 151 ASP CB C 13 39.0237 0.0000 . 1 . . 24398 . . 150 ASP CB . 53491 2 853 . 2 . 2 151 151 ASP N N 15 131.4446 0.0000 . 1 . . 14032 . . 150 ASP N . 53491 2 854 . 2 . 2 152 152 ASN H H 1 8.9929 0.0000 . 1 . . 14969 . . 151 ASN H . 53491 2 855 . 2 . 2 152 152 ASN C C 13 173.2907 0.0000 . 1 . . 27573 . . 151 ASN C . 53491 2 856 . 2 . 2 152 152 ASN CA C 13 54.7381 0.0000 . 1 . . 27575 . . 151 ASN CA . 53491 2 857 . 2 . 2 152 152 ASN CB C 13 37.9733 0.0000 . 1 . . 27579 . . 151 ASN CB . 53491 2 858 . 2 . 2 152 152 ASN N N 15 109.5719 0.0000 . 1 . . 14971 . . 151 ASN N . 53491 2 859 . 2 . 2 153 153 ALA H H 1 7.8622 0.0000 . 1 . . 14357 . . 152 ALA H . 53491 2 860 . 2 . 2 153 153 ALA C C 13 178.0982 0.0000 . 1 . . 25362 . . 152 ALA C . 53491 2 861 . 2 . 2 153 153 ALA CA C 13 50.6205 0.0000 . 1 . . 25369 . . 152 ALA CA . 53491 2 862 . 2 . 2 153 153 ALA CB C 13 18.7803 0.0000 . 1 . . 31052 . . 152 ALA CB . 53491 2 863 . 2 . 2 153 153 ALA N N 15 123.7508 0.0000 . 1 . . 14359 . . 152 ALA N . 53491 2 864 . 2 . 2 154 154 LEU H H 1 8.7305 0.0000 . 1 . . 17063 . . 153 LEU H . 53491 2 865 . 2 . 2 154 154 LEU HD11 H 1 0.8790 0.0000 . 2 . . . . . 153 LEU HD11 . 53491 2 866 . 2 . 2 154 154 LEU HD12 H 1 0.8790 0.0000 . 2 . . . . . 153 LEU HD11 . 53491 2 867 . 2 . 2 154 154 LEU HD13 H 1 0.8790 0.0000 . 2 . . . . . 153 LEU HD11 . 53491 2 868 . 2 . 2 154 154 LEU HD21 H 1 0.9400 0.0000 . 2 . . . . . 153 LEU HD21 . 53491 2 869 . 2 . 2 154 154 LEU HD22 H 1 0.9400 0.0000 . 2 . . . . . 153 LEU HD21 . 53491 2 870 . 2 . 2 154 154 LEU HD23 H 1 0.9400 0.0000 . 2 . . . . . 153 LEU HD21 . 53491 2 871 . 2 . 2 154 154 LEU C C 13 177.1145 0.0000 . 1 . . 24547 . . 153 LEU C . 53491 2 872 . 2 . 2 154 154 LEU CA C 13 55.6957 0.0000 . 1 . . 24549 . . 153 LEU CA . 53491 2 873 . 2 . 2 154 154 LEU CB C 13 41.2674 0.0000 . 1 . . 24555 . . 153 LEU CB . 53491 2 874 . 2 . 2 154 154 LEU CD1 C 13 24.6560 0.0000 . 2 . . . . . 153 LEU CD1 . 53491 2 875 . 2 . 2 154 154 LEU CD2 C 13 24.1210 0.0000 . 2 . . . . . 153 LEU CD2 . 53491 2 876 . 2 . 2 154 154 LEU N N 15 128.4654 0.0000 . 1 . . 17065 . . 153 LEU N . 53491 2 877 . 2 . 2 155 155 GLN H H 1 8.4488 0.0000 . 1 . . 14324 . . 154 GLN H . 53491 2 878 . 2 . 2 155 155 GLN C C 13 175.7328 0.0000 . 1 . . 25137 . . 154 GLN C . 53491 2 879 . 2 . 2 155 155 GLN CA C 13 53.3335 0.0000 . 1 . . 25144 . . 154 GLN CA . 53491 2 880 . 2 . 2 155 155 GLN CB C 13 29.8785 0.0000 . 1 . . 25145 . . 154 GLN CB . 53491 2 881 . 2 . 2 155 155 GLN N N 15 124.7389 0.0000 . 1 . . 14326 . . 154 GLN N . 53491 2 882 . 2 . 2 156 156 SER H H 1 8.4612 0.0000 . 1 . . 14681 . . 155 SER H . 53491 2 883 . 2 . 2 156 156 SER C C 13 174.7122 0.0000 . 1 . . 26320 . . 155 SER C . 53491 2 884 . 2 . 2 156 156 SER CA C 13 57.6514 0.0000 . 1 . . 26326 . . 155 SER CA . 53491 2 885 . 2 . 2 156 156 SER CB C 13 64.0084 0.0000 . 1 . . 26327 . . 155 SER CB . 53491 2 886 . 2 . 2 156 156 SER N N 15 117.8800 0.0000 . 1 . . 14683 . . 155 SER N . 53491 2 887 . 2 . 2 157 157 GLY H H 1 8.5970 0.0000 . 1 . . 22079 . . 156 GLY H . 53491 2 888 . 2 . 2 157 157 GLY C C 13 174.3907 0.0000 . 1 . . 27264 . . 156 GLY C . 53491 2 889 . 2 . 2 157 157 GLY CA C 13 45.7570 0.0000 . 1 . . 27265 . . 156 GLY CA . 53491 2 890 . 2 . 2 157 157 GLY N N 15 112.5648 0.0000 . 1 . . 22081 . . 156 GLY N . 53491 2 891 . 2 . 2 158 158 ASN H H 1 8.1159 0.0000 . 1 . . 21617 . . 157 ASN H . 53491 2 892 . 2 . 2 158 158 ASN C C 13 173.3459 0.0000 . 1 . . 26686 . . 157 ASN C . 53491 2 893 . 2 . 2 158 158 ASN CA C 13 52.1462 0.0000 . 1 . . 26690 . . 157 ASN CA . 53491 2 894 . 2 . 2 158 158 ASN CB C 13 36.8167 0.0000 . 1 . . 26692 . . 157 ASN CB . 53491 2 895 . 2 . 2 158 158 ASN N N 15 115.7287 0.0000 . 1 . . 21619 . . 157 ASN N . 53491 2 896 . 2 . 2 159 159 SER H H 1 7.6916 0.0000 . 1 . . 22178 . . 158 SER H . 53491 2 897 . 2 . 2 159 159 SER C C 13 174.1342 0.0000 . 1 . . 27431 . . 158 SER C . 53491 2 898 . 2 . 2 159 159 SER CA C 13 56.0907 0.0000 . 1 . . 27432 . . 158 SER CA . 53491 2 899 . 2 . 2 159 159 SER CB C 13 66.4241 0.0000 . 1 . . 27436 . . 158 SER CB . 53491 2 900 . 2 . 2 159 159 SER N N 15 111.2293 0.0000 . 1 . . 22180 . . 158 SER N . 53491 2 901 . 2 . 2 160 160 GLN H H 1 8.0405 0.0000 . 1 . . 14705 . . 159 GLN H . 53491 2 902 . 2 . 2 160 160 GLN C C 13 175.1693 0.0000 . 1 . . 26355 . . 159 GLN C . 53491 2 903 . 2 . 2 160 160 GLN CA C 13 54.9759 0.0000 . 1 . . 26364 . . 159 GLN CA . 53491 2 904 . 2 . 2 160 160 GLN CB C 13 33.0764 0.0000 . 1 . . -1 . . 159 GLN CB . 53491 2 905 . 2 . 2 160 160 GLN N N 15 117.6020 0.0000 . 1 . . 14707 . . 159 GLN N . 53491 2 906 . 2 . 2 161 161 GLU C C 13 175.0047 0.0000 . 1 . . 26771 . . 160 GLU C . 53491 2 907 . 2 . 2 161 161 GLU CA C 13 55.0109 0.0000 . 1 . . 26764 . . 160 GLU CA . 53491 2 908 . 2 . 2 161 161 GLU CB C 13 32.5760 0.0000 . 1 . . 26766 . . 160 GLU CB . 53491 2 909 . 2 . 2 162 162 SER H H 1 8.6090 0.0000 . 1 . . 21707 . . 161 SER H . 53491 2 910 . 2 . 2 162 162 SER C C 13 172.4434 0.0000 . 1 . . 26763 . . 161 SER C . 53491 2 911 . 2 . 2 162 162 SER CA C 13 56.6350 0.0000 . 1 . . 36289 . . 161 SER CA . 53491 2 912 . 2 . 2 162 162 SER CB C 13 64.6091 0.0000 . 1 . . 26769 . . 161 SER CB . 53491 2 913 . 2 . 2 162 162 SER N N 15 115.1954 0.0000 . 1 . . 21709 . . 161 SER N . 53491 2 914 . 2 . 2 163 163 VAL H H 1 8.3692 0.0000 . 1 . . 20147 . . 162 VAL H . 53491 2 915 . 2 . 2 163 163 VAL HG11 H 1 1.2680 0.0000 . 2 . . . . . 162 VAL HG11 . 53491 2 916 . 2 . 2 163 163 VAL HG12 H 1 1.2680 0.0000 . 2 . . . . . 162 VAL HG11 . 53491 2 917 . 2 . 2 163 163 VAL HG13 H 1 1.2680 0.0000 . 2 . . . . . 162 VAL HG11 . 53491 2 918 . 2 . 2 163 163 VAL HG21 H 1 1.2230 0.0000 . 2 . . . . . 162 VAL HG21 . 53491 2 919 . 2 . 2 163 163 VAL HG22 H 1 1.2230 0.0000 . 2 . . . . . 162 VAL HG21 . 53491 2 920 . 2 . 2 163 163 VAL HG23 H 1 1.2230 0.0000 . 2 . . . . . 162 VAL HG21 . 53491 2 921 . 2 . 2 163 163 VAL C C 13 175.7623 0.0000 . 1 . . 25051 . . 162 VAL C . 53491 2 922 . 2 . 2 163 163 VAL CA C 13 59.9666 0.0000 . 1 . . 25053 . . 162 VAL CA . 53491 2 923 . 2 . 2 163 163 VAL CB C 13 35.1272 0.0000 . 1 . . 25054 . . 162 VAL CB . 53491 2 924 . 2 . 2 163 163 VAL CG1 C 13 20.4340 0.0000 . 2 . . . . . 162 VAL CG1 . 53491 2 925 . 2 . 2 163 163 VAL CG2 C 13 21.4560 0.0000 . 2 . . . . . 162 VAL CG2 . 53491 2 926 . 2 . 2 163 163 VAL N N 15 125.4483 0.0000 . 1 . . 20149 . . 162 VAL N . 53491 2 927 . 2 . 2 164 164 THR H H 1 8.5667 0.0000 . 1 . . 18206 . . 163 THR H . 53491 2 928 . 2 . 2 164 164 THR C C 13 175.9815 0.0000 . 1 . . 26657 . . 163 THR C . 53491 2 929 . 2 . 2 164 164 THR CA C 13 61.6922 0.0000 . 1 . . 26659 . . 163 THR CA . 53491 2 930 . 2 . 2 164 164 THR CB C 13 69.9673 0.0000 . 1 . . 26665 . . 163 THR CB . 53491 2 931 . 2 . 2 164 164 THR N N 15 115.8604 0.0000 . 1 . . 18208 . . 163 THR N . 53491 2 932 . 2 . 2 165 165 GLU H H 1 8.0912 0.0000 . 1 . . 14759 . . 164 GLU H . 53491 2 933 . 2 . 2 165 165 GLU C C 13 176.6011 0.0000 . 1 . . 26520 . . 164 GLU C . 53491 2 934 . 2 . 2 165 165 GLU CA C 13 55.3807 0.0000 . 1 . . 26523 . . 164 GLU CA . 53491 2 935 . 2 . 2 165 165 GLU CB C 13 29.2325 0.0000 . 1 . . 26525 . . 164 GLU CB . 53491 2 936 . 2 . 2 165 165 GLU N N 15 116.7379 0.0000 . 1 . . 14761 . . 164 GLU N . 53491 2 937 . 2 . 2 166 166 GLN H H 1 8.6560 0.0000 . 1 . . 14429 . . 165 GLN H . 53491 2 938 . 2 . 2 166 166 GLN C C 13 176.3731 0.0000 . 1 . . 25424 . . 165 GLN C . 53491 2 939 . 2 . 2 166 166 GLN CA C 13 56.9497 0.0000 . 1 . . 25433 . . 165 GLN CA . 53491 2 940 . 2 . 2 166 166 GLN CB C 13 27.9466 0.0000 . 1 . . 25431 . . 165 GLN CB . 53491 2 941 . 2 . 2 166 166 GLN N N 15 122.9249 0.0000 . 1 . . 14431 . . 165 GLN N . 53491 2 942 . 2 . 2 167 167 ASP H H 1 8.9798 0.0000 . 1 . . 17186 . . 166 ASP H . 53491 2 943 . 2 . 2 167 167 ASP C C 13 178.7884 0.0000 . 1 . . 24606 . . 166 ASP C . 53491 2 944 . 2 . 2 167 167 ASP CA C 13 55.3559 0.0000 . 1 . . 24610 . . 166 ASP CA . 53491 2 945 . 2 . 2 167 167 ASP CB C 13 43.2861 0.0000 . 1 . . 24608 . . 166 ASP CB . 53491 2 946 . 2 . 2 167 167 ASP N N 15 127.9222 0.0000 . 1 . . 17188 . . 166 ASP N . 53491 2 947 . 2 . 2 168 168 SER H H 1 8.7022 0.0000 . 1 . . 17582 . . 167 SER H . 53491 2 948 . 2 . 2 168 168 SER C C 13 173.0732 0.0000 . 1 . . 25416 . . 167 SER C . 53491 2 949 . 2 . 2 168 168 SER CA C 13 60.8479 0.0000 . 1 . . 25422 . . 167 SER CA . 53491 2 950 . 2 . 2 168 168 SER CB C 13 63.0399 0.0000 . 1 . . 25420 . . 167 SER CB . 53491 2 951 . 2 . 2 168 168 SER N N 15 122.9962 0.0000 . 1 . . 17584 . . 167 SER N . 53491 2 952 . 2 . 2 169 169 LYS H H 1 8.5512 0.0000 . 1 . . 14546 . . 168 LYS H . 53491 2 953 . 2 . 2 169 169 LYS C C 13 178.0576 0.0000 . 1 . . 25981 . . 168 LYS C . 53491 2 954 . 2 . 2 169 169 LYS CA C 13 56.8873 0.0000 . 1 . . 25985 . . 168 LYS CA . 53491 2 955 . 2 . 2 169 169 LYS CB C 13 32.1749 0.0000 . 1 . . 25986 . . 168 LYS CB . 53491 2 956 . 2 . 2 169 169 LYS N N 15 120.2862 0.0000 . 1 . . 14548 . . 168 LYS N . 53491 2 957 . 2 . 2 170 170 ASP H H 1 8.6538 0.0000 . 1 . . 14732 . . 169 ASP H . 53491 2 958 . 2 . 2 170 170 ASP C C 13 176.3035 0.0000 . 1 . . 26459 . . 169 ASP C . 53491 2 959 . 2 . 2 170 170 ASP CA C 13 52.5417 0.0000 . 1 . . 26465 . . 169 ASP CA . 53491 2 960 . 2 . 2 170 170 ASP CB C 13 41.3743 0.0000 . 1 . . 26470 . . 169 ASP CB . 53491 2 961 . 2 . 2 170 170 ASP N N 15 117.2276 0.0000 . 1 . . 14734 . . 169 ASP N . 53491 2 962 . 2 . 2 171 171 SER H H 1 7.5264 0.0000 . 1 . . 15002 . . 170 SER H . 53491 2 963 . 2 . 2 171 171 SER C C 13 173.0472 0.0000 . 1 . . 46490 . . 170 SER C . 53491 2 964 . 2 . 2 171 171 SER CA C 13 58.5674 0.0000 . 1 . . 27726 . . 170 SER CA . 53491 2 965 . 2 . 2 171 171 SER CB C 13 59.8044 0.0000 . 1 . . 27732 . . 170 SER CB . 53491 2 966 . 2 . 2 171 171 SER N N 15 108.1172 0.0000 . 1 . . 15004 . . 170 SER N . 53491 2 967 . 2 . 2 172 172 THR H H 1 7.7566 0.0000 . 1 . . 15005 . . 171 THR H . 53491 2 968 . 2 . 2 172 172 THR C C 13 173.0673 0.0000 . 1 . . 46510 . . 171 THR C . 53491 2 969 . 2 . 2 172 172 THR CA C 13 60.1330 0.0000 . 1 . . 27740 . . 171 THR CA . 53491 2 970 . 2 . 2 172 172 THR CB C 13 71.3442 0.0000 . 1 . . 27741 . . 171 THR CB . 53491 2 971 . 2 . 2 172 172 THR N N 15 108.0970 0.0000 . 1 . . 15007 . . 171 THR N . 53491 2 972 . 2 . 2 173 173 TYR H H 1 8.8463 0.0000 . 1 . . 14747 . . 172 TYR H . 53491 2 973 . 2 . 2 173 173 TYR C C 13 174.3334 0.0000 . 1 . . 26484 . . 172 TYR C . 53491 2 974 . 2 . 2 173 173 TYR CA C 13 57.1257 0.0000 . 1 . . 26492 . . 172 TYR CA . 53491 2 975 . 2 . 2 173 173 TYR CB C 13 40.9621 0.0000 . 1 . . 26490 . . 172 TYR CB . 53491 2 976 . 2 . 2 173 173 TYR N N 15 117.0211 0.0000 . 1 . . 14749 . . 172 TYR N . 53491 2 977 . 2 . 2 174 174 SER H H 1 7.5762 0.0000 . 1 . . 14933 . . 173 SER H . 53491 2 978 . 2 . 2 174 174 SER C C 13 171.1683 0.0000 . 1 . . 27357 . . 173 SER C . 53491 2 979 . 2 . 2 174 174 SER CA C 13 58.4874 0.0000 . 1 . . 27358 . . 173 SER CA . 53491 2 980 . 2 . 2 174 174 SER CB C 13 66.0280 0.0000 . 1 . . 27362 . . 173 SER CB . 53491 2 981 . 2 . 2 174 174 SER N N 15 111.7808 0.0000 . 1 . . 14935 . . 173 SER N . 53491 2 982 . 2 . 2 175 175 LEU H H 1 9.8152 0.0000 . 1 . . 14189 . . 174 LEU H . 53491 2 983 . 2 . 2 175 175 LEU HD11 H 1 0.9930 0.0000 . 2 . . . . . 174 LEU HD11 . 53491 2 984 . 2 . 2 175 175 LEU HD12 H 1 0.9930 0.0000 . 2 . . . . . 174 LEU HD11 . 53491 2 985 . 2 . 2 175 175 LEU HD13 H 1 0.9930 0.0000 . 2 . . . . . 174 LEU HD11 . 53491 2 986 . 2 . 2 175 175 LEU HD21 H 1 0.7240 0.0000 . 2 . . . . . 174 LEU HD21 . 53491 2 987 . 2 . 2 175 175 LEU HD22 H 1 0.7240 0.0000 . 2 . . . . . 174 LEU HD21 . 53491 2 988 . 2 . 2 175 175 LEU HD23 H 1 0.7240 0.0000 . 2 . . . . . 174 LEU HD21 . 53491 2 989 . 2 . 2 175 175 LEU C C 13 173.6366 0.0000 . 1 . . 24841 . . 174 LEU C . 53491 2 990 . 2 . 2 175 175 LEU CA C 13 55.0907 0.0000 . 1 . . 24845 . . 174 LEU CA . 53491 2 991 . 2 . 2 175 175 LEU CB C 13 46.8447 0.0000 . 1 . . 24850 . . 174 LEU CB . 53491 2 992 . 2 . 2 175 175 LEU CD1 C 13 27.3940 0.0000 . 2 . . . . . 174 LEU CD1 . 53491 2 993 . 2 . 2 175 175 LEU CD2 C 13 25.6490 0.0000 . 2 . . . . . 174 LEU CD2 . 53491 2 994 . 2 . 2 175 175 LEU N N 15 126.1008 0.0000 . 1 . . 14191 . . 174 LEU N . 53491 2 995 . 2 . 2 176 176 SER H H 1 9.1102 0.0000 . 1 . . 14564 . . 175 SER H . 53491 2 996 . 2 . 2 176 176 SER C C 13 173.2710 0.0000 . 1 . . 25944 . . 175 SER C . 53491 2 997 . 2 . 2 176 176 SER CA C 13 55.0375 0.0000 . 1 . . 33555 . . 175 SER CA . 53491 2 998 . 2 . 2 176 176 SER CB C 13 64.4982 0.0000 . 1 . . 25951 . . 175 SER CB . 53491 2 999 . 2 . 2 176 176 SER N N 15 120.3362 0.0000 . 1 . . 14566 . . 175 SER N . 53491 2 1000 . 2 . 2 177 177 SER H H 1 9.1708 0.0000 . 1 . . 17810 . . 176 SER H . 53491 2 1001 . 2 . 2 177 177 SER C C 13 174.4352 0.0000 . 1 . . 25958 . . 176 SER C . 53491 2 1002 . 2 . 2 177 177 SER CA C 13 56.3888 0.0000 . 1 . . 25960 . . 176 SER CA . 53491 2 1003 . 2 . 2 177 177 SER CB C 13 63.3687 0.0000 . 1 . . 25965 . . 176 SER CB . 53491 2 1004 . 2 . 2 177 177 SER N N 15 120.2391 0.0000 . 1 . . 17812 . . 176 SER N . 53491 2 1005 . 2 . 2 178 178 THR H H 1 8.8763 0.0000 . 1 . . 14297 . . 177 THR H . 53491 2 1006 . 2 . 2 178 178 THR C C 13 173.4404 0.0000 . 1 . . 25126 . . 177 THR C . 53491 2 1007 . 2 . 2 178 178 THR CA C 13 61.2176 0.0000 . 1 . . 25129 . . 177 THR CA . 53491 2 1008 . 2 . 2 178 178 THR CB C 13 69.7861 0.0000 . 1 . . 25130 . . 177 THR CB . 53491 2 1009 . 2 . 2 178 178 THR N N 15 124.8841 0.0000 . 1 . . 14299 . . 177 THR N . 53491 2 1010 . 2 . 2 179 179 LEU H H 1 9.2077 0.0000 . 1 . . 14015 . . 178 LEU H . 53491 2 1011 . 2 . 2 179 179 LEU HD11 H 1 0.2980 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 2 1012 . 2 . 2 179 179 LEU HD12 H 1 0.2980 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 2 1013 . 2 . 2 179 179 LEU HD13 H 1 0.2980 0.0000 . 2 . . . . . 178 LEU HD11 . 53491 2 1014 . 2 . 2 179 179 LEU HD21 H 1 0.2770 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 2 1015 . 2 . 2 179 179 LEU HD22 H 1 0.2770 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 2 1016 . 2 . 2 179 179 LEU HD23 H 1 0.2770 0.0000 . 2 . . . . . 178 LEU HD21 . 53491 2 1017 . 2 . 2 179 179 LEU C C 13 175.0123 0.0000 . 1 . . 24339 . . 178 LEU C . 53491 2 1018 . 2 . 2 179 179 LEU CA C 13 53.2726 0.0000 . 1 . . 24348 . . 178 LEU CA . 53491 2 1019 . 2 . 2 179 179 LEU CB C 13 41.2632 0.0000 . 1 . . 24345 . . 178 LEU CB . 53491 2 1020 . 2 . 2 179 179 LEU CD1 C 13 25.4650 0.0000 . 2 . . . . . 178 LEU CD1 . 53491 2 1021 . 2 . 2 179 179 LEU CD2 C 13 23.4670 0.0000 . 2 . . . . . 178 LEU CD2 . 53491 2 1022 . 2 . 2 179 179 LEU N N 15 134.9049 0.0000 . 1 . . 14017 . . 178 LEU N . 53491 2 1023 . 2 . 2 180 180 THR H H 1 8.0614 0.0000 . 1 . . 14414 . . 179 THR H . 53491 2 1024 . 2 . 2 180 180 THR C C 13 173.2552 0.0000 . 1 . . 25471 . . 179 THR C . 53491 2 1025 . 2 . 2 180 180 THR CA C 13 61.7644 0.0000 . 1 . . 25473 . . 179 THR CA . 53491 2 1026 . 2 . 2 180 180 THR CB C 13 69.3377 0.0000 . 1 . . 25479 . . 179 THR CB . 53491 2 1027 . 2 . 2 180 180 THR N N 15 123.1012 0.0000 . 1 . . 14416 . . 179 THR N . 53491 2 1028 . 2 . 2 181 181 LEU H H 1 8.7755 0.0000 . 1 . . 14153 . . 180 LEU H . 53491 2 1029 . 2 . 2 181 181 LEU HD11 H 1 0.9750 0.0000 . 2 . . . . . 180 LEU HD11 . 53491 2 1030 . 2 . 2 181 181 LEU HD12 H 1 0.9750 0.0000 . 2 . . . . . 180 LEU HD11 . 53491 2 1031 . 2 . 2 181 181 LEU HD13 H 1 0.9750 0.0000 . 2 . . . . . 180 LEU HD11 . 53491 2 1032 . 2 . 2 181 181 LEU HD21 H 1 0.9740 0.0000 . 2 . . . . . 180 LEU HD21 . 53491 2 1033 . 2 . 2 181 181 LEU HD22 H 1 0.9740 0.0000 . 2 . . . . . 180 LEU HD21 . 53491 2 1034 . 2 . 2 181 181 LEU HD23 H 1 0.9740 0.0000 . 2 . . . . . 180 LEU HD21 . 53491 2 1035 . 2 . 2 181 181 LEU C C 13 176.0436 0.0000 . 1 . . 24736 . . 180 LEU C . 53491 2 1036 . 2 . 2 181 181 LEU CA C 13 52.7235 0.0000 . 1 . . 24740 . . 180 LEU CA . 53491 2 1037 . 2 . 2 181 181 LEU CB C 13 46.1200 0.0000 . 1 . . 24742 . . 180 LEU CB . 53491 2 1038 . 2 . 2 181 181 LEU CD1 C 13 27.1110 0.0000 . 2 . . . . . 180 LEU CD1 . 53491 2 1039 . 2 . 2 181 181 LEU CD2 C 13 24.2330 0.0000 . 2 . . . . . 180 LEU CD2 . 53491 2 1040 . 2 . 2 181 181 LEU N N 15 127.5897 0.0000 . 1 . . 14155 . . 180 LEU N . 53491 2 1041 . 2 . 2 182 182 SER H H 1 8.9927 0.0000 . 1 . . 21401 . . 181 SER H . 53491 2 1042 . 2 . 2 182 182 SER C C 13 174.7964 0.0000 . 1 . . 26580 . . 181 SER C . 53491 2 1043 . 2 . 2 182 182 SER CA C 13 57.6721 0.0000 . 1 . . 26585 . . 181 SER CA . 53491 2 1044 . 2 . 2 182 182 SER CB C 13 63.6403 0.0000 . 1 . . 26588 . . 181 SER CB . 53491 2 1045 . 2 . 2 182 182 SER N N 15 116.5844 0.0000 . 1 . . 21403 . . 181 SER N . 53491 2 1046 . 2 . 2 183 183 LYS H H 1 7.9221 0.0000 . 1 . . 14372 . . 182 LYS H . 53491 2 1047 . 2 . 2 183 183 LYS C C 13 177.0133 0.0000 . 1 . . 25388 . . 182 LYS C . 53491 2 1048 . 2 . 2 183 183 LYS CA C 13 59.9818 0.0000 . 1 . . 25389 . . 182 LYS CA . 53491 2 1049 . 2 . 2 183 183 LYS CB C 13 31.7585 0.0000 . 1 . . 25395 . . 182 LYS CB . 53491 2 1050 . 2 . 2 183 183 LYS N N 15 123.5131 0.0000 . 1 . . 14374 . . 182 LYS N . 53491 2 1051 . 2 . 2 184 184 ALA H H 1 8.2492 0.0000 . 1 . . 14648 . . 183 ALA H . 53491 2 1052 . 2 . 2 184 184 ALA C C 13 180.3389 0.0000 . 1 . . 26264 . . 183 ALA C . 53491 2 1053 . 2 . 2 184 184 ALA CA C 13 54.3898 0.0000 . 1 . . 26267 . . 183 ALA CA . 53491 2 1054 . 2 . 2 184 184 ALA CB C 13 17.4577 0.0000 . 1 . . 26273 . . 183 ALA CB . 53491 2 1055 . 2 . 2 184 184 ALA N N 15 118.4160 0.0000 . 1 . . 14650 . . 183 ALA N . 53491 2 1056 . 2 . 2 185 185 ASP H H 1 7.6623 0.0000 . 1 . . 17978 . . 184 ASP H . 53491 2 1057 . 2 . 2 185 185 ASP C C 13 178.5842 0.0000 . 1 . . 26308 . . 184 ASP C . 53491 2 1058 . 2 . 2 185 185 ASP CA C 13 56.8605 0.0000 . 1 . . 26310 . . 184 ASP CA . 53491 2 1059 . 2 . 2 185 185 ASP CB C 13 40.0628 0.0000 . 1 . . 26313 . . 184 ASP CB . 53491 2 1060 . 2 . 2 185 185 ASP N N 15 117.7773 0.0000 . 1 . . 17980 . . 184 ASP N . 53491 2 1061 . 2 . 2 186 186 TYR H H 1 8.6538 0.0000 . 1 . . 14453 . . 185 TYR H . 53491 2 1062 . 2 . 2 186 186 TYR C C 13 179.5730 0.0000 . 1 . . 25617 . . 185 TYR C . 53491 2 1063 . 2 . 2 186 186 TYR CA C 13 58.9735 0.0000 . 1 . . 25618 . . 185 TYR CA . 53491 2 1064 . 2 . 2 186 186 TYR CB C 13 38.2268 0.0000 . 1 . . 25619 . . 185 TYR CB . 53491 2 1065 . 2 . 2 186 186 TYR N N 15 122.0861 0.0000 . 1 . . 14455 . . 185 TYR N . 53491 2 1066 . 2 . 2 187 187 GLU H H 1 7.9842 0.0000 . 1 . . 14861 . . 186 GLU H . 53491 2 1067 . 2 . 2 187 187 GLU C C 13 176.1894 0.0000 . 1 . . 26829 . . 186 GLU C . 53491 2 1068 . 2 . 2 187 187 GLU CA C 13 57.1469 0.0000 . 1 . . 36783 . . 186 GLU CA . 53491 2 1069 . 2 . 2 187 187 GLU CB C 13 28.2779 0.0000 . 1 . . 26833 . . 186 GLU CB . 53491 2 1070 . 2 . 2 187 187 GLU N N 15 114.6187 0.0000 . 1 . . 14863 . . 186 GLU N . 53491 2 1071 . 2 . 2 188 188 LYS H H 1 7.1908 0.0000 . 1 . . 14702 . . 187 LYS H . 53491 2 1072 . 2 . 2 188 188 LYS C C 13 175.8347 0.0000 . 1 . . 26405 . . 187 LYS C . 53491 2 1073 . 2 . 2 188 188 LYS CA C 13 56.3136 0.0000 . 1 . . 35345 . . 187 LYS CA . 53491 2 1074 . 2 . 2 188 188 LYS CB C 13 32.5692 0.0000 . 1 . . 26409 . . 187 LYS CB . 53491 2 1075 . 2 . 2 188 188 LYS N N 15 117.4222 0.0000 . 1 . . 14704 . . 187 LYS N . 53491 2 1076 . 2 . 2 189 189 HIS H H 1 6.9661 0.0000 . 1 . . 14825 . . 188 HIS H . 53491 2 1077 . 2 . 2 189 189 HIS C C 13 173.0646 0.0000 . 1 . . 26738 . . 188 HIS C . 53491 2 1078 . 2 . 2 189 189 HIS CA C 13 53.4856 0.0000 . 1 . . 26742 . . 188 HIS CA . 53491 2 1079 . 2 . 2 189 189 HIS CB C 13 30.5832 0.0000 . 1 . . 26745 . . 188 HIS CB . 53491 2 1080 . 2 . 2 189 189 HIS N N 15 115.2342 0.0000 . 1 . . 14827 . . 188 HIS N . 53491 2 1081 . 2 . 2 190 190 LYS H H 1 9.3588 0.0000 . 1 . . 14435 . . 189 LYS H . 53491 2 1082 . 2 . 2 190 190 LYS C C 13 174.9276 0.0000 . 1 . . 25583 . . 189 LYS C . 53491 2 1083 . 2 . 2 190 190 LYS CA C 13 58.1247 0.0000 . 1 . . 25586 . . 189 LYS CA . 53491 2 1084 . 2 . 2 190 190 LYS CB C 13 34.4936 0.0000 . 1 . . 25591 . . 189 LYS CB . 53491 2 1085 . 2 . 2 190 190 LYS N N 15 122.7670 0.0000 . 1 . . 14437 . . 189 LYS N . 53491 2 1086 . 2 . 2 191 191 VAL H H 1 8.4664 0.0000 . 1 . . 14576 . . 190 VAL H . 53491 2 1087 . 2 . 2 191 191 VAL HG11 H 1 0.7700 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 2 1088 . 2 . 2 191 191 VAL HG12 H 1 0.7700 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 2 1089 . 2 . 2 191 191 VAL HG13 H 1 0.7700 0.0000 . 2 . . . . . 190 VAL HG11 . 53491 2 1090 . 2 . 2 191 191 VAL HG21 H 1 0.9260 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 2 1091 . 2 . 2 191 191 VAL HG22 H 1 0.9260 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 2 1092 . 2 . 2 191 191 VAL HG23 H 1 0.9260 0.0000 . 2 . . . . . 190 VAL HG21 . 53491 2 1093 . 2 . 2 191 191 VAL C C 13 174.5217 0.0000 . 1 . . 26013 . . 190 VAL C . 53491 2 1094 . 2 . 2 191 191 VAL CA C 13 61.6681 0.0000 . 1 . . 26017 . . 190 VAL CA . 53491 2 1095 . 2 . 2 191 191 VAL CB C 13 32.6759 0.0000 . 1 . . 26018 . . 190 VAL CB . 53491 2 1096 . 2 . 2 191 191 VAL CG1 C 13 21.1510 0.0000 . 2 . . . . . 190 VAL CG1 . 53491 2 1097 . 2 . 2 191 191 VAL CG2 C 13 20.7940 0.0000 . 2 . . . . . 190 VAL CG2 . 53491 2 1098 . 2 . 2 191 191 VAL N N 15 120.0495 0.0000 . 1 . . 14578 . . 190 VAL N . 53491 2 1099 . 2 . 2 192 192 TYR H H 1 8.1152 0.0000 . 1 . . 14138 . . 191 TYR H . 53491 2 1100 . 2 . 2 192 192 TYR C C 13 173.6681 0.0000 . 1 . . 24682 . . 191 TYR C . 53491 2 1101 . 2 . 2 192 192 TYR CA C 13 57.5969 0.0000 . 1 . . 24691 . . 191 TYR CA . 53491 2 1102 . 2 . 2 192 192 TYR CB C 13 41.2686 0.0000 . 1 . . 24688 . . 191 TYR CB . 53491 2 1103 . 2 . 2 192 192 TYR N N 15 127.7502 0.0000 . 1 . . 14140 . . 191 TYR N . 53491 2 1104 . 2 . 2 193 193 ALA H H 1 8.7009 0.0000 . 1 . . 14438 . . 192 ALA H . 53491 2 1105 . 2 . 2 193 193 ALA C C 13 174.1100 0.0000 . 1 . . 25569 . . 192 ALA C . 53491 2 1106 . 2 . 2 193 193 ALA CA C 13 50.0730 0.0000 . 1 . . 25575 . . 192 ALA CA . 53491 2 1107 . 2 . 2 193 193 ALA CB C 13 22.4664 0.0000 . 1 . . 31607 . . 192 ALA CB . 53491 2 1108 . 2 . 2 193 193 ALA N N 15 122.8164 0.0000 . 1 . . 14440 . . 192 ALA N . 53491 2 1109 . 2 . 2 194 194 CYS H H 1 8.5955 0.0000 . 1 . . 17897 . . 193 CYS H . 53491 2 1110 . 2 . 2 194 194 CYS C C 13 171.2758 0.0000 . 1 . . 26082 . . 193 CYS C . 53491 2 1111 . 2 . 2 194 194 CYS CA C 13 52.2975 0.0000 . 1 . . 26084 . . 193 CYS CA . 53491 2 1112 . 2 . 2 194 194 CYS CB C 13 44.0640 0.0000 . 1 . . 26091 . . 193 CYS CB . 53491 2 1113 . 2 . 2 194 194 CYS N N 15 119.6494 0.0000 . 1 . . 17899 . . 193 CYS N . 53491 2 1114 . 2 . 2 195 195 GLU H H 1 8.8339 0.0000 . 1 . . 14174 . . 194 GLU H . 53491 2 1115 . 2 . 2 195 195 GLU C C 13 175.7449 0.0000 . 1 . . 24827 . . 194 GLU C . 53491 2 1116 . 2 . 2 195 195 GLU CA C 13 53.9883 0.0000 . 1 . . 24834 . . 194 GLU CA . 53491 2 1117 . 2 . 2 195 195 GLU CB C 13 31.7905 0.0000 . 1 . . 24835 . . 194 GLU CB . 53491 2 1118 . 2 . 2 195 195 GLU N N 15 126.2840 0.0000 . 1 . . 14176 . . 194 GLU N . 53491 2 1119 . 2 . 2 196 196 VAL H H 1 9.3242 0.0000 . 1 . . 19607 . . 195 VAL H . 53491 2 1120 . 2 . 2 196 196 VAL HG11 H 1 0.5510 0.0000 . 2 . . . . . 195 VAL HG11 . 53491 2 1121 . 2 . 2 196 196 VAL HG12 H 1 0.5510 0.0000 . 2 . . . . . 195 VAL HG11 . 53491 2 1122 . 2 . 2 196 196 VAL HG13 H 1 0.5510 0.0000 . 2 . . . . . 195 VAL HG11 . 53491 2 1123 . 2 . 2 196 196 VAL HG21 H 1 0.7270 0.0000 . 2 . . . . . 195 VAL HG21 . 53491 2 1124 . 2 . 2 196 196 VAL HG22 H 1 0.7270 0.0000 . 2 . . . . . 195 VAL HG21 . 53491 2 1125 . 2 . 2 196 196 VAL HG23 H 1 0.7270 0.0000 . 2 . . . . . 195 VAL HG21 . 53491 2 1126 . 2 . 2 196 196 VAL C C 13 174.2321 0.0000 . 1 . . 24461 . . 195 VAL C . 53491 2 1127 . 2 . 2 196 196 VAL CA C 13 61.1348 0.0000 . 1 . . 24470 . . 195 VAL CA . 53491 2 1128 . 2 . 2 196 196 VAL CB C 13 34.1581 0.0000 . 1 . . 24471 . . 195 VAL CB . 53491 2 1129 . 2 . 2 196 196 VAL CG1 C 13 20.9640 0.0000 . 2 . . . . . 195 VAL CG1 . 53491 2 1130 . 2 . 2 196 196 VAL CG2 C 13 22.5240 0.0000 . 2 . . . . . 195 VAL CG2 . 53491 2 1131 . 2 . 2 196 196 VAL N N 15 129.6535 0.0000 . 1 . . 19609 . . 195 VAL N . 53491 2 1132 . 2 . 2 197 197 THR H H 1 8.5333 0.0000 . 1 . . 14540 . . 196 THR H . 53491 2 1133 . 2 . 2 197 197 THR C C 13 173.3565 0.0000 . 1 . . 25906 . . 196 THR C . 53491 2 1134 . 2 . 2 197 197 THR CA C 13 60.6996 0.0000 . 1 . . 25914 . . 196 THR CA . 53491 2 1135 . 2 . 2 197 197 THR CB C 13 69.9125 0.0000 . 1 . . 25909 . . 196 THR CB . 53491 2 1136 . 2 . 2 197 197 THR N N 15 120.5205 0.0000 . 1 . . 14542 . . 196 THR N . 53491 2 1137 . 2 . 2 198 198 HIS H H 1 8.0004 0.0000 . 1 . . 17564 . . 197 HIS H . 53491 2 1138 . 2 . 2 198 198 HIS C C 13 174.9049 0.0000 . 1 . . 25400 . . 197 HIS C . 53491 2 1139 . 2 . 2 198 198 HIS CA C 13 57.7049 0.0000 . 1 . . 25402 . . 197 HIS CA . 53491 2 1140 . 2 . 2 198 198 HIS CB C 13 34.3804 0.0000 . 1 . . 25408 . . 197 HIS CB . 53491 2 1141 . 2 . 2 198 198 HIS N N 15 123.3959 0.0000 . 1 . . 17566 . . 197 HIS N . 53491 2 1142 . 2 . 2 199 199 GLN H H 1 8.1270 0.0000 . 1 . . 14168 . . 198 GLN H . 53491 2 1143 . 2 . 2 199 199 GLN C C 13 176.5054 0.0000 . 1 . . 24803 . . 198 GLN C . 53491 2 1144 . 2 . 2 199 199 GLN CA C 13 58.1953 0.0000 . 1 . . 24804 . . 198 GLN CA . 53491 2 1145 . 2 . 2 199 199 GLN CB C 13 28.6249 0.0000 . 1 . . 24810 . . 198 GLN CB . 53491 2 1146 . 2 . 2 199 199 GLN N N 15 126.3535 0.0000 . 1 . . 14170 . . 198 GLN N . 53491 2 1147 . 2 . 2 200 200 GLY H H 1 10.3645 0.0000 . 1 . . 14954 . . 199 GLY H . 53491 2 1148 . 2 . 2 200 200 GLY C C 13 172.9354 0.0000 . 1 . . 27501 . . 199 GLY C . 53491 2 1149 . 2 . 2 200 200 GLY CA C 13 44.9940 0.0000 . 1 . . 27505 . . 199 GLY CA . 53491 2 1150 . 2 . 2 200 200 GLY N N 15 110.1323 0.0000 . 1 . . 14956 . . 199 GLY N . 53491 2 1151 . 2 . 2 201 201 LEU H H 1 8.0198 0.0000 . 1 . . 14483 . . 200 LEU H . 53491 2 1152 . 2 . 2 201 201 LEU HD11 H 1 0.9020 0.0000 . 2 . . . . . 200 LEU HD11 . 53491 2 1153 . 2 . 2 201 201 LEU HD12 H 1 0.9020 0.0000 . 2 . . . . . 200 LEU HD11 . 53491 2 1154 . 2 . 2 201 201 LEU HD13 H 1 0.9020 0.0000 . 2 . . . . . 200 LEU HD11 . 53491 2 1155 . 2 . 2 201 201 LEU HD21 H 1 0.9440 0.0000 . 2 . . . . . 200 LEU HD21 . 53491 2 1156 . 2 . 2 201 201 LEU HD22 H 1 0.9440 0.0000 . 2 . . . . . 200 LEU HD21 . 53491 2 1157 . 2 . 2 201 201 LEU HD23 H 1 0.9440 0.0000 . 2 . . . . . 200 LEU HD21 . 53491 2 1158 . 2 . 2 201 201 LEU C C 13 176.7441 0.0000 . 1 . . 25679 . . 200 LEU C . 53491 2 1159 . 2 . 2 201 201 LEU CA C 13 52.5560 0.0000 . 1 . . 25686 . . 200 LEU CA . 53491 2 1160 . 2 . 2 201 201 LEU CB C 13 41.9837 0.0000 . 1 . . 25685 . . 200 LEU CB . 53491 2 1161 . 2 . 2 201 201 LEU CD1 C 13 26.1600 0.0000 . 2 . . . . . 200 LEU CD1 . 53491 2 1162 . 2 . 2 201 201 LEU CD2 C 13 23.5900 0.0000 . 2 . . . . . 200 LEU CD2 . 53491 2 1163 . 2 . 2 201 201 LEU N N 15 122.1009 0.0000 . 1 . . 14485 . . 200 LEU N . 53491 2 1164 . 2 . 2 202 202 SER H H 1 8.8005 0.0000 . 1 . . 15659 . . 201 SER H . 53491 2 1165 . 2 . 2 202 202 SER C C 13 174.3324 0.0000 . 1 . . 26104 . . 201 SER C . 53491 2 1166 . 2 . 2 202 202 SER CA C 13 60.0598 0.0000 . 1 . . 26100 . . 201 SER CA . 53491 2 1167 . 2 . 2 202 202 SER CB C 13 62.4512 0.0000 . 1 . . 26103 . . 201 SER CB . 53491 2 1168 . 2 . 2 202 202 SER N N 15 119.3536 0.0000 . 1 . . 15661 . . 201 SER N . 53491 2 1169 . 2 . 2 203 203 SER H H 1 7.5268 0.0000 . 1 . . 21758 . . 202 SER H . 53491 2 1170 . 2 . 2 203 203 SER C C 13 170.7729 0.0000 . 1 . . 26774 . . 202 SER C . 53491 2 1171 . 2 . 2 203 203 SER CA C 13 55.8297 0.0000 . 1 . . 26778 . . 202 SER CA . 53491 2 1172 . 2 . 2 203 203 SER CB C 13 63.1405 0.0000 . 1 . . 26779 . . 202 SER CB . 53491 2 1173 . 2 . 2 203 203 SER N N 15 115.1715 0.0000 . 1 . . 21760 . . 202 SER N . 53491 2 1174 . 2 . 2 204 204 PRO C C 13 177.4688 0.0000 . 1 . . 25317 . . 203 PRO C . 53491 2 1175 . 2 . 2 204 204 PRO CA C 13 63.2890 0.0000 . 1 . . 25310 . . 203 PRO CA . 53491 2 1176 . 2 . 2 204 204 PRO CB C 13 30.8894 0.0000 . 1 . . 30895 . . 203 PRO CB . 53491 2 1177 . 2 . 2 205 205 VAL H H 1 8.4469 0.0000 . 1 . . 14366 . . 204 VAL H . 53491 2 1178 . 2 . 2 205 205 VAL HG11 H 1 1.0440 0.0000 . 2 . . . . . 204 VAL HG11 . 53491 2 1179 . 2 . 2 205 205 VAL HG12 H 1 1.0440 0.0000 . 2 . . . . . 204 VAL HG11 . 53491 2 1180 . 2 . 2 205 205 VAL HG13 H 1 1.0440 0.0000 . 2 . . . . . 204 VAL HG11 . 53491 2 1181 . 2 . 2 205 205 VAL HG21 H 1 0.8390 0.0000 . 2 . . . . . 204 VAL HG21 . 53491 2 1182 . 2 . 2 205 205 VAL HG22 H 1 0.8390 0.0000 . 2 . . . . . 204 VAL HG21 . 53491 2 1183 . 2 . 2 205 205 VAL HG23 H 1 0.8390 0.0000 . 2 . . . . . 204 VAL HG21 . 53491 2 1184 . 2 . 2 205 205 VAL C C 13 174.3898 0.0000 . 1 . . 25306 . . 204 VAL C . 53491 2 1185 . 2 . 2 205 205 VAL CA C 13 60.3421 0.0000 . 1 . . 25309 . . 204 VAL CA . 53491 2 1186 . 2 . 2 205 205 VAL CB C 13 34.1979 0.0000 . 1 . . 25312 . . 204 VAL CB . 53491 2 1187 . 2 . 2 205 205 VAL CG1 C 13 22.6290 0.0000 . 2 . . . . . 204 VAL CG1 . 53491 2 1188 . 2 . 2 205 205 VAL CG2 C 13 20.8150 0.0000 . 2 . . . . . 204 VAL CG2 . 53491 2 1189 . 2 . 2 205 205 VAL N N 15 123.8456 0.0000 . 1 . . 14368 . . 204 VAL N . 53491 2 1190 . 2 . 2 206 206 THR H H 1 8.3860 0.0000 . 1 . . 20669 . . 205 THR H . 53491 2 1191 . 2 . 2 206 206 THR C C 13 174.6143 0.0000 . 1 . . 25535 . . 205 THR C . 53491 2 1192 . 2 . 2 206 206 THR CA C 13 60.9268 0.0000 . 1 . . 25538 . . 205 THR CA . 53491 2 1193 . 2 . 2 206 206 THR CB C 13 69.4444 0.0000 . 1 . . 25539 . . 205 THR CB . 53491 2 1194 . 2 . 2 206 206 THR N N 15 122.6343 0.0000 . 1 . . 20671 . . 205 THR N . 53491 2 1195 . 2 . 2 207 207 LYS H H 1 8.5582 0.0000 . 1 . . 14159 . . 206 LYS H . 53491 2 1196 . 2 . 2 207 207 LYS C C 13 174.3603 0.0000 . 1 . . 24743 . . 206 LYS C . 53491 2 1197 . 2 . 2 207 207 LYS CA C 13 52.7013 0.0000 . 1 . . 24750 . . 206 LYS CA . 53491 2 1198 . 2 . 2 207 207 LYS CB C 13 32.6082 0.0000 . 1 . . 24749 . . 206 LYS CB . 53491 2 1199 . 2 . 2 207 207 LYS N N 15 127.1516 0.0000 . 1 . . 14161 . . 206 LYS N . 53491 2 1200 . 2 . 2 208 208 SER H H 1 8.5175 0.0000 . 1 . . 14765 . . 207 SER H . 53491 2 1201 . 2 . 2 208 208 SER C C 13 173.3791 0.0000 . 1 . . 26569 . . 207 SER C . 53491 2 1202 . 2 . 2 208 208 SER CA C 13 56.3075 0.0000 . 1 . . 26571 . . 207 SER CA . 53491 2 1203 . 2 . 2 208 208 SER CB C 13 67.4252 0.0000 . 1 . . 26574 . . 207 SER CB . 53491 2 1204 . 2 . 2 208 208 SER N N 15 116.7044 0.0000 . 1 . . 14767 . . 207 SER N . 53491 2 1205 . 2 . 2 209 209 PHE H H 1 8.7089 0.0000 . 1 . . 21569 . . 208 PHE H . 53491 2 1206 . 2 . 2 209 209 PHE C C 13 171.5555 0.0000 . 1 . . 26621 . . 208 PHE C . 53491 2 1207 . 2 . 2 209 209 PHE CA C 13 56.6471 0.0000 . 1 . . 26627 . . 208 PHE CA . 53491 2 1208 . 2 . 2 209 209 PHE CB C 13 41.1849 0.0000 . 1 . . 26629 . . 208 PHE CB . 53491 2 1209 . 2 . 2 209 209 PHE N N 15 116.5685 0.0000 . 1 . . 21571 . . 208 PHE N . 53491 2 1210 . 2 . 2 210 210 ASN H H 1 8.6569 0.0000 . 1 . . 14627 . . 209 ASN H . 53491 2 1211 . 2 . 2 210 210 ASN C C 13 176.0924 0.0000 . 1 . . 26195 . . 209 ASN C . 53491 2 1212 . 2 . 2 210 210 ASN CA C 13 50.3218 0.0000 . 1 . . 26199 . . 209 ASN CA . 53491 2 1213 . 2 . 2 210 210 ASN CB C 13 38.9255 0.0000 . 1 . . 26200 . . 209 ASN CB . 53491 2 1214 . 2 . 2 210 210 ASN N N 15 118.9241 0.0000 . 1 . . 14629 . . 209 ASN N . 53491 2 1215 . 2 . 2 211 211 ARG H H 1 9.6380 0.0000 . 1 . . 14150 . . 210 ARG H . 53491 2 1216 . 2 . 2 211 211 ARG C C 13 177.1144 0.0000 . 1 . . 24707 . . 210 ARG C . 53491 2 1217 . 2 . 2 211 211 ARG CA C 13 58.3183 0.0000 . 1 . . 24710 . . 210 ARG CA . 53491 2 1218 . 2 . 2 211 211 ARG CB C 13 29.3434 0.0000 . 1 . . 24715 . . 210 ARG CB . 53491 2 1219 . 2 . 2 211 211 ARG N N 15 127.4064 0.0000 . 1 . . 14152 . . 210 ARG N . 53491 2 1220 . 2 . 2 212 212 GLY H H 1 8.9934 0.0000 . 1 . . 14888 . . 211 GLY H . 53491 2 1221 . 2 . 2 212 212 GLY C C 13 174.3845 0.0000 . 1 . . 27022 . . 211 GLY C . 53491 2 1222 . 2 . 2 212 212 GLY CA C 13 44.9749 0.0000 . 1 . . 27028 . . 211 GLY CA . 53491 2 1223 . 2 . 2 212 212 GLY N N 15 114.1285 0.0000 . 1 . . 14890 . . 211 GLY N . 53491 2 1224 . 2 . 2 213 213 GLU H H 1 7.8666 0.0000 . 1 . . 14537 . . 212 GLU H . 53491 2 1225 . 2 . 2 213 213 GLU C C 13 175.4966 0.0000 . 1 . . 25875 . . 212 GLU C . 53491 2 1226 . 2 . 2 213 213 GLU CA C 13 55.7476 0.0000 . 1 . . 25877 . . 212 GLU CA . 53491 2 1227 . 2 . 2 213 213 GLU CB C 13 30.2746 0.0000 . 1 . . 25880 . . 212 GLU CB . 53491 2 1228 . 2 . 2 213 213 GLU N N 15 120.8005 0.0000 . 1 . . 14539 . . 212 GLU N . 53491 2 1229 . 2 . 2 214 214 CYS H H 1 8.1539 0.0000 . 1 . . 20219 . . 213 CYS H . 53491 2 1230 . 2 . 2 214 214 CYS C C 13 179.0092 0.0000 . 1 . . 25074 . . 213 CYS C . 53491 2 1231 . 2 . 2 214 214 CYS CA C 13 57.6840 0.0000 . 1 . . 25080 . . 213 CYS CA . 53491 2 1232 . 2 . 2 214 214 CYS CB C 13 42.6303 0.0000 . 1 . . 25082 . . 213 CYS CB . 53491 2 1233 . 2 . 2 214 214 CYS N N 15 125.3475 0.0000 . 1 . . 20221 . . 213 CYS N . 53491 2 stop_ save_