data_50009 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50009 _Entry.Title ; Backbone and methyl assignment of bacteriorhodopsin incorporated into nanodiscs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-07 _Entry.Accession_date 2019-09-07 _Entry.Last_release_date 2019-09-09 _Entry.Original_release_date 2019-09-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 1 _Entry.Generated_software_label $software_1 _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 Laurens Kooijman . . . . 50009 2 Philipp Ansorge . . . . 50009 3 Matthias Schuster . . . . 50009 4 Christian Baumann . . . 0000-0001-5419-9631 50009 5 Frank Lohr . . . . 50009 6 Simon Jurt . . . . 50009 7 Peter Guntert . . . 0000-0002-2911-7574 50009 8 Oliver Zerbe . . . 0000-0003-0475-438X 50009 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 na 'University of Zurich' . 50009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 50009 '15N chemical shifts' 156 50009 '1H chemical shifts' 465 50009 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 . . 2020-02-24 . original BMRB . 50009 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50009 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31754899 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and methyl assignment of bacteriorhodopsin incorporated into nanodiscs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR.' _Citation.Journal_name_full . _Citation.Journal_volume 74 _Citation.Journal_issue 1 _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 45 _Citation.Page_last 60 _Citation.Year 2020 _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 Laurens Kooijman . . . . 50009 1 2 Philipp Ansorge . . . . 50009 1 3 Matthias Schuster . . . . 50009 1 4 Christian Baumann . . . . 50009 1 5 Frank Lohr . . . . 50009 1 6 Simon Jurt . . . . 50009 1 7 Peter Guntert . . . . 50009 1 8 Oliver Zerbe . . . . 50009 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Bacteriorhodopsin 50009 1 Nanodisc 50009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50009 _Assembly.ID 1 _Assembly.Name Bacteriorhodopsin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 28410 _Assembly.Enzyme_commission_number . _Assembly.Details 'The Bacteriorhodopsin is bound to Retinal through: 229 LYS NZ.' _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 Bacteriorhodopsin 1 $entity_1 . . yes native yes no . . . 50009 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1M0L . . X-ray 1.47 . . 50009 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Light-driven proton pump' 50009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50009 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKLAQITGRPEWIWLALGT ALMGLGTLYFLVKGMGVSDP DAKKFYAITTLVPAIAFTMY LSMLLGYGLTMVPFGGEQNP IYWARYADWLFTTPLLLLDL ALLVDADQGTILALVGADGI MIGTGLVGALTKVYSYRFVW WAISTAAMLYILYVLFFGFT SKAESMRPEVASTFKVLRNV TVVLWSAYPVVWLIGSEGAG IVPLNIETLLFMVLDVSAKV GFGLILLRSRAIFGEAEAPE PSAGDGAAATSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 259 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SP P02945 . BACR_HALSA . . . . . . . . . . . . . . 50009 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Light-driven proton pump' 50009 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 50009 1 2 -1 SER . 50009 1 3 0 LYS . 50009 1 4 1 LEU . 50009 1 5 2 ALA . 50009 1 6 3 GLN . 50009 1 7 4 ILE . 50009 1 8 5 THR . 50009 1 9 6 GLY . 50009 1 10 7 ARG . 50009 1 11 8 PRO . 50009 1 12 9 GLU . 50009 1 13 10 TRP . 50009 1 14 11 ILE . 50009 1 15 12 TRP . 50009 1 16 13 LEU . 50009 1 17 14 ALA . 50009 1 18 15 LEU . 50009 1 19 16 GLY . 50009 1 20 17 THR . 50009 1 21 18 ALA . 50009 1 22 19 LEU . 50009 1 23 20 MET . 50009 1 24 21 GLY . 50009 1 25 22 LEU . 50009 1 26 23 GLY . 50009 1 27 24 THR . 50009 1 28 25 LEU . 50009 1 29 26 TYR . 50009 1 30 27 PHE . 50009 1 31 28 LEU . 50009 1 32 29 VAL . 50009 1 33 30 LYS . 50009 1 34 31 GLY . 50009 1 35 32 MET . 50009 1 36 33 GLY . 50009 1 37 34 VAL . 50009 1 38 35 SER . 50009 1 39 36 ASP . 50009 1 40 37 PRO . 50009 1 41 38 ASP . 50009 1 42 39 ALA . 50009 1 43 40 LYS . 50009 1 44 41 LYS . 50009 1 45 42 PHE . 50009 1 46 43 TYR . 50009 1 47 44 ALA . 50009 1 48 45 ILE . 50009 1 49 46 THR . 50009 1 50 47 THR . 50009 1 51 48 LEU . 50009 1 52 49 VAL . 50009 1 53 50 PRO . 50009 1 54 51 ALA . 50009 1 55 52 ILE . 50009 1 56 53 ALA . 50009 1 57 54 PHE . 50009 1 58 55 THR . 50009 1 59 56 MET . 50009 1 60 57 TYR . 50009 1 61 58 LEU . 50009 1 62 59 SER . 50009 1 63 60 MET . 50009 1 64 61 LEU . 50009 1 65 62 LEU . 50009 1 66 63 GLY . 50009 1 67 64 TYR . 50009 1 68 65 GLY . 50009 1 69 66 LEU . 50009 1 70 67 THR . 50009 1 71 68 MET . 50009 1 72 69 VAL . 50009 1 73 70 PRO . 50009 1 74 71 PHE . 50009 1 75 72 GLY . 50009 1 76 73 GLY . 50009 1 77 74 GLU . 50009 1 78 75 GLN . 50009 1 79 76 ASN . 50009 1 80 77 PRO . 50009 1 81 78 ILE . 50009 1 82 79 TYR . 50009 1 83 80 TRP . 50009 1 84 81 ALA . 50009 1 85 82 ARG . 50009 1 86 83 TYR . 50009 1 87 84 ALA . 50009 1 88 85 ASP . 50009 1 89 86 TRP . 50009 1 90 87 LEU . 50009 1 91 88 PHE . 50009 1 92 89 THR . 50009 1 93 90 THR . 50009 1 94 91 PRO . 50009 1 95 92 LEU . 50009 1 96 93 LEU . 50009 1 97 94 LEU . 50009 1 98 95 LEU . 50009 1 99 96 ASP . 50009 1 100 97 LEU . 50009 1 101 98 ALA . 50009 1 102 99 LEU . 50009 1 103 100 LEU . 50009 1 104 101 VAL . 50009 1 105 102 ASP . 50009 1 106 103 ALA . 50009 1 107 104 ASP . 50009 1 108 105 GLN . 50009 1 109 106 GLY . 50009 1 110 107 THR . 50009 1 111 108 ILE . 50009 1 112 109 LEU . 50009 1 113 110 ALA . 50009 1 114 111 LEU . 50009 1 115 112 VAL . 50009 1 116 113 GLY . 50009 1 117 114 ALA . 50009 1 118 115 ASP . 50009 1 119 116 GLY . 50009 1 120 117 ILE . 50009 1 121 118 MET . 50009 1 122 119 ILE . 50009 1 123 120 GLY . 50009 1 124 121 THR . 50009 1 125 122 GLY . 50009 1 126 123 LEU . 50009 1 127 124 VAL . 50009 1 128 125 GLY . 50009 1 129 126 ALA . 50009 1 130 127 LEU . 50009 1 131 128 THR . 50009 1 132 129 LYS . 50009 1 133 130 VAL . 50009 1 134 131 TYR . 50009 1 135 132 SER . 50009 1 136 133 TYR . 50009 1 137 134 ARG . 50009 1 138 135 PHE . 50009 1 139 136 VAL . 50009 1 140 137 TRP . 50009 1 141 138 TRP . 50009 1 142 139 ALA . 50009 1 143 140 ILE . 50009 1 144 141 SER . 50009 1 145 142 THR . 50009 1 146 143 ALA . 50009 1 147 144 ALA . 50009 1 148 145 MET . 50009 1 149 146 LEU . 50009 1 150 147 TYR . 50009 1 151 148 ILE . 50009 1 152 149 LEU . 50009 1 153 150 TYR . 50009 1 154 151 VAL . 50009 1 155 152 LEU . 50009 1 156 153 PHE . 50009 1 157 154 PHE . 50009 1 158 155 GLY . 50009 1 159 156 PHE . 50009 1 160 157 THR . 50009 1 161 158 SER . 50009 1 162 159 LYS . 50009 1 163 160 ALA . 50009 1 164 161 GLU . 50009 1 165 162 SER . 50009 1 166 163 MET . 50009 1 167 164 ARG . 50009 1 168 165 PRO . 50009 1 169 166 GLU . 50009 1 170 167 VAL . 50009 1 171 168 ALA . 50009 1 172 169 SER . 50009 1 173 170 THR . 50009 1 174 171 PHE . 50009 1 175 172 LYS . 50009 1 176 173 VAL . 50009 1 177 174 LEU . 50009 1 178 175 ARG . 50009 1 179 176 ASN . 50009 1 180 177 VAL . 50009 1 181 178 THR . 50009 1 182 179 VAL . 50009 1 183 180 VAL . 50009 1 184 181 LEU . 50009 1 185 182 TRP . 50009 1 186 183 SER . 50009 1 187 184 ALA . 50009 1 188 185 TYR . 50009 1 189 186 PRO . 50009 1 190 187 VAL . 50009 1 191 188 VAL . 50009 1 192 189 TRP . 50009 1 193 190 LEU . 50009 1 194 191 ILE . 50009 1 195 192 GLY . 50009 1 196 193 SER . 50009 1 197 194 GLU . 50009 1 198 195 GLY . 50009 1 199 196 ALA . 50009 1 200 197 GLY . 50009 1 201 198 ILE . 50009 1 202 199 VAL . 50009 1 203 200 PRO . 50009 1 204 201 LEU . 50009 1 205 202 ASN . 50009 1 206 203 ILE . 50009 1 207 204 GLU . 50009 1 208 205 THR . 50009 1 209 206 LEU . 50009 1 210 207 LEU . 50009 1 211 208 PHE . 50009 1 212 209 MET . 50009 1 213 210 VAL . 50009 1 214 211 LEU . 50009 1 215 212 ASP . 50009 1 216 213 VAL . 50009 1 217 214 SER . 50009 1 218 215 ALA . 50009 1 219 216 LYS . 50009 1 220 217 VAL . 50009 1 221 218 GLY . 50009 1 222 219 PHE . 50009 1 223 220 GLY . 50009 1 224 221 LEU . 50009 1 225 222 ILE . 50009 1 226 223 LEU . 50009 1 227 224 LEU . 50009 1 228 225 ARG . 50009 1 229 226 SER . 50009 1 230 227 ARG . 50009 1 231 228 ALA . 50009 1 232 229 ILE . 50009 1 233 230 PHE . 50009 1 234 231 GLY . 50009 1 235 232 GLU . 50009 1 236 233 ALA . 50009 1 237 234 GLU . 50009 1 238 235 ALA . 50009 1 239 236 PRO . 50009 1 240 237 GLU . 50009 1 241 238 PRO . 50009 1 242 239 SER . 50009 1 243 240 ALA . 50009 1 244 241 GLY . 50009 1 245 242 ASP . 50009 1 246 243 GLY . 50009 1 247 244 ALA . 50009 1 248 245 ALA . 50009 1 249 246 ALA . 50009 1 250 247 THR . 50009 1 251 248 SER . 50009 1 252 249 LEU . 50009 1 253 250 GLU . 50009 1 254 251 HIS . 50009 1 255 252 HIS . 50009 1 256 253 HIS . 50009 1 257 254 HIS . 50009 1 258 255 HIS . 50009 1 259 256 HIS . 50009 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50009 1 . SER 2 2 50009 1 . LYS 3 3 50009 1 . LEU 4 4 50009 1 . ALA 5 5 50009 1 . GLN 6 6 50009 1 . ILE 7 7 50009 1 . THR 8 8 50009 1 . GLY 9 9 50009 1 . ARG 10 10 50009 1 . PRO 11 11 50009 1 . GLU 12 12 50009 1 . TRP 13 13 50009 1 . ILE 14 14 50009 1 . TRP 15 15 50009 1 . LEU 16 16 50009 1 . ALA 17 17 50009 1 . LEU 18 18 50009 1 . GLY 19 19 50009 1 . THR 20 20 50009 1 . ALA 21 21 50009 1 . LEU 22 22 50009 1 . MET 23 23 50009 1 . GLY 24 24 50009 1 . LEU 25 25 50009 1 . GLY 26 26 50009 1 . THR 27 27 50009 1 . LEU 28 28 50009 1 . TYR 29 29 50009 1 . PHE 30 30 50009 1 . LEU 31 31 50009 1 . VAL 32 32 50009 1 . LYS 33 33 50009 1 . GLY 34 34 50009 1 . MET 35 35 50009 1 . GLY 36 36 50009 1 . VAL 37 37 50009 1 . SER 38 38 50009 1 . ASP 39 39 50009 1 . PRO 40 40 50009 1 . ASP 41 41 50009 1 . ALA 42 42 50009 1 . LYS 43 43 50009 1 . LYS 44 44 50009 1 . PHE 45 45 50009 1 . TYR 46 46 50009 1 . ALA 47 47 50009 1 . ILE 48 48 50009 1 . THR 49 49 50009 1 . THR 50 50 50009 1 . LEU 51 51 50009 1 . VAL 52 52 50009 1 . PRO 53 53 50009 1 . ALA 54 54 50009 1 . ILE 55 55 50009 1 . ALA 56 56 50009 1 . PHE 57 57 50009 1 . THR 58 58 50009 1 . MET 59 59 50009 1 . TYR 60 60 50009 1 . LEU 61 61 50009 1 . SER 62 62 50009 1 . MET 63 63 50009 1 . LEU 64 64 50009 1 . LEU 65 65 50009 1 . GLY 66 66 50009 1 . TYR 67 67 50009 1 . GLY 68 68 50009 1 . LEU 69 69 50009 1 . THR 70 70 50009 1 . MET 71 71 50009 1 . VAL 72 72 50009 1 . PRO 73 73 50009 1 . PHE 74 74 50009 1 . GLY 75 75 50009 1 . GLY 76 76 50009 1 . GLU 77 77 50009 1 . GLN 78 78 50009 1 . ASN 79 79 50009 1 . PRO 80 80 50009 1 . ILE 81 81 50009 1 . TYR 82 82 50009 1 . TRP 83 83 50009 1 . ALA 84 84 50009 1 . ARG 85 85 50009 1 . TYR 86 86 50009 1 . ALA 87 87 50009 1 . ASP 88 88 50009 1 . TRP 89 89 50009 1 . LEU 90 90 50009 1 . PHE 91 91 50009 1 . THR 92 92 50009 1 . THR 93 93 50009 1 . PRO 94 94 50009 1 . LEU 95 95 50009 1 . LEU 96 96 50009 1 . LEU 97 97 50009 1 . LEU 98 98 50009 1 . ASP 99 99 50009 1 . LEU 100 100 50009 1 . ALA 101 101 50009 1 . LEU 102 102 50009 1 . LEU 103 103 50009 1 . VAL 104 104 50009 1 . ASP 105 105 50009 1 . ALA 106 106 50009 1 . ASP 107 107 50009 1 . GLN 108 108 50009 1 . GLY 109 109 50009 1 . THR 110 110 50009 1 . ILE 111 111 50009 1 . LEU 112 112 50009 1 . ALA 113 113 50009 1 . LEU 114 114 50009 1 . VAL 115 115 50009 1 . GLY 116 116 50009 1 . ALA 117 117 50009 1 . ASP 118 118 50009 1 . GLY 119 119 50009 1 . ILE 120 120 50009 1 . MET 121 121 50009 1 . ILE 122 122 50009 1 . GLY 123 123 50009 1 . THR 124 124 50009 1 . GLY 125 125 50009 1 . LEU 126 126 50009 1 . VAL 127 127 50009 1 . GLY 128 128 50009 1 . ALA 129 129 50009 1 . LEU 130 130 50009 1 . THR 131 131 50009 1 . LYS 132 132 50009 1 . VAL 133 133 50009 1 . TYR 134 134 50009 1 . SER 135 135 50009 1 . TYR 136 136 50009 1 . ARG 137 137 50009 1 . PHE 138 138 50009 1 . VAL 139 139 50009 1 . TRP 140 140 50009 1 . TRP 141 141 50009 1 . ALA 142 142 50009 1 . ILE 143 143 50009 1 . SER 144 144 50009 1 . THR 145 145 50009 1 . ALA 146 146 50009 1 . ALA 147 147 50009 1 . MET 148 148 50009 1 . LEU 149 149 50009 1 . TYR 150 150 50009 1 . ILE 151 151 50009 1 . LEU 152 152 50009 1 . TYR 153 153 50009 1 . VAL 154 154 50009 1 . LEU 155 155 50009 1 . PHE 156 156 50009 1 . PHE 157 157 50009 1 . GLY 158 158 50009 1 . PHE 159 159 50009 1 . THR 160 160 50009 1 . SER 161 161 50009 1 . LYS 162 162 50009 1 . ALA 163 163 50009 1 . GLU 164 164 50009 1 . SER 165 165 50009 1 . MET 166 166 50009 1 . ARG 167 167 50009 1 . PRO 168 168 50009 1 . GLU 169 169 50009 1 . VAL 170 170 50009 1 . ALA 171 171 50009 1 . SER 172 172 50009 1 . THR 173 173 50009 1 . PHE 174 174 50009 1 . LYS 175 175 50009 1 . VAL 176 176 50009 1 . LEU 177 177 50009 1 . ARG 178 178 50009 1 . ASN 179 179 50009 1 . VAL 180 180 50009 1 . THR 181 181 50009 1 . VAL 182 182 50009 1 . VAL 183 183 50009 1 . LEU 184 184 50009 1 . TRP 185 185 50009 1 . SER 186 186 50009 1 . ALA 187 187 50009 1 . TYR 188 188 50009 1 . PRO 189 189 50009 1 . VAL 190 190 50009 1 . VAL 191 191 50009 1 . TRP 192 192 50009 1 . LEU 193 193 50009 1 . ILE 194 194 50009 1 . GLY 195 195 50009 1 . SER 196 196 50009 1 . GLU 197 197 50009 1 . GLY 198 198 50009 1 . ALA 199 199 50009 1 . GLY 200 200 50009 1 . ILE 201 201 50009 1 . VAL 202 202 50009 1 . PRO 203 203 50009 1 . LEU 204 204 50009 1 . ASN 205 205 50009 1 . ILE 206 206 50009 1 . GLU 207 207 50009 1 . THR 208 208 50009 1 . LEU 209 209 50009 1 . LEU 210 210 50009 1 . PHE 211 211 50009 1 . MET 212 212 50009 1 . VAL 213 213 50009 1 . LEU 214 214 50009 1 . ASP 215 215 50009 1 . VAL 216 216 50009 1 . SER 217 217 50009 1 . ALA 218 218 50009 1 . LYS 219 219 50009 1 . VAL 220 220 50009 1 . GLY 221 221 50009 1 . PHE 222 222 50009 1 . GLY 223 223 50009 1 . LEU 224 224 50009 1 . ILE 225 225 50009 1 . LEU 226 226 50009 1 . LEU 227 227 50009 1 . ARG 228 228 50009 1 . SER 229 229 50009 1 . ARG 230 230 50009 1 . ALA 231 231 50009 1 . ILE 232 232 50009 1 . PHE 233 233 50009 1 . GLY 234 234 50009 1 . GLU 235 235 50009 1 . ALA 236 236 50009 1 . GLU 237 237 50009 1 . ALA 238 238 50009 1 . PRO 239 239 50009 1 . GLU 240 240 50009 1 . PRO 241 241 50009 1 . SER 242 242 50009 1 . ALA 243 243 50009 1 . GLY 244 244 50009 1 . ASP 245 245 50009 1 . GLY 246 246 50009 1 . ALA 247 247 50009 1 . ALA 248 248 50009 1 . ALA 249 249 50009 1 . THR 250 250 50009 1 . SER 251 251 50009 1 . LEU 252 252 50009 1 . GLU 253 253 50009 1 . HIS 254 254 50009 1 . HIS 255 255 50009 1 . HIS 256 256 50009 1 . HIS 257 257 50009 1 . HIS 258 258 50009 1 . HIS 259 259 50009 1 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 50009 _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 . 2242 organism . 'Halobacterium halobium' 'Halobacterium halobium' . . Archaea . Halobacterium halobium . . . . . . . . . . . . . 50009 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 50009 _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 BL21 DE3 . plasmid . . pET28 . . . 50009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50009 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Bacteriorhodopsin incorporated into nanodiscs' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Bacteriorhodopsin '[U-2H; U-15N; U-13; ILV 13C/1H]' . . 1 $entity_1 . . 350 . . uM . . . . 50009 1 2 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 50009 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50009 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Bacteriorhodopsin incorporated into nanodiscs' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Bacteriorhodopsin '[U-2H; U-15N; U-13; AILV 13C/1H]' . . 1 $entity_1 . . 500 . . uM . . . . 50009 2 2 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 50009 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50009 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Bacteriorhodopsin incorporated into nanodiscs' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Bacteriorhodopsin '[U-2H; U-15N; U-13; MILV 13C/1H]' . . 1 $entity_1 . . 450 . . uM . . . . 50009 3 2 'potassium phosphate' 'natural abundance' . . . . . . 40 . . mM . . . . 50009 3 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 50009 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 6.4 . pH 50009 1 pressure 1 . atm 50009 1 temperature 320 . K 50009 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50009 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details 'Software_module: FLYA' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 50009 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50009 1 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 50009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50009 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50009 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 50009 _Experiment_list.ID 1 _Experiment_list.Details 'See paper for list of spectra' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50009 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 50009 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details ; Proton chemical shifts were referenced to the water line at 4.53 ppm at 320 K, from which the nitrogen and carbon scales were derived indirectly by using the conversion factors of 0.10132900 (15N) and 0.25144954 (13C). ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50009 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50009 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50009 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 50009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 NA . . . 50009 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 3 3 LYS H H 1 8.746 0.020 . 1 . . . . . 0 LYS H . 50009 1 2 . 1 . 1 3 3 LYS C C 13 178.316 0.400 . 1 . . . . . 0 LYS C . 50009 1 3 . 1 . 1 3 3 LYS CA C 13 57.496 0.400 . 1 . . . . . 0 LYS CA . 50009 1 4 . 1 . 1 3 3 LYS CB C 13 30.942 0.400 . 1 . . . . . 0 LYS CB . 50009 1 5 . 1 . 1 3 3 LYS N N 15 124.011 0.400 . 1 . . . . . 0 LYS N . 50009 1 6 . 1 . 1 4 4 LEU H H 1 8.291 0.020 . 1 . . . . . 1 LEU H . 50009 1 7 . 1 . 1 4 4 LEU HD11 H 1 0.770 0.020 . 2 . . . . . 1 LEU HD11 . 50009 1 8 . 1 . 1 4 4 LEU HD12 H 1 0.770 0.020 . 2 . . . . . 1 LEU HD12 . 50009 1 9 . 1 . 1 4 4 LEU HD13 H 1 0.770 0.020 . 2 . . . . . 1 LEU HD13 . 50009 1 10 . 1 . 1 4 4 LEU HD21 H 1 0.735 0.020 . 2 . . . . . 1 LEU HD21 . 50009 1 11 . 1 . 1 4 4 LEU HD22 H 1 0.735 0.020 . 2 . . . . . 1 LEU HD22 . 50009 1 12 . 1 . 1 4 4 LEU HD23 H 1 0.735 0.020 . 2 . . . . . 1 LEU HD23 . 50009 1 13 . 1 . 1 4 4 LEU C C 13 178.278 0.400 . 1 . . . . . 1 LEU C . 50009 1 14 . 1 . 1 4 4 LEU CA C 13 56.789 0.400 . 1 . . . . . 1 LEU CA . 50009 1 15 . 1 . 1 4 4 LEU CB C 13 40.127 0.400 . 1 . . . . . 1 LEU CB . 50009 1 16 . 1 . 1 4 4 LEU CD1 C 13 23.507 0.400 . 2 . . . . . 1 LEU CD1 . 50009 1 17 . 1 . 1 4 4 LEU CD2 C 13 22.884 0.400 . 2 . . . . . 1 LEU CD2 . 50009 1 18 . 1 . 1 4 4 LEU N N 15 119.747 0.400 . 1 . . . . . 1 LEU N . 50009 1 19 . 1 . 1 5 5 ALA H H 1 7.765 0.020 . 1 . . . . . 2 ALA H . 50009 1 20 . 1 . 1 5 5 ALA C C 13 179.247 0.400 . 1 . . . . . 2 ALA C . 50009 1 21 . 1 . 1 5 5 ALA CA C 13 53.573 0.400 . 1 . . . . . 2 ALA CA . 50009 1 22 . 1 . 1 5 5 ALA CB C 13 17.328 0.400 . 1 . . . . . 2 ALA CB . 50009 1 23 . 1 . 1 5 5 ALA N N 15 120.162 0.400 . 1 . . . . . 2 ALA N . 50009 1 24 . 1 . 1 6 6 GLN H H 1 7.610 0.020 . 1 . . . . . 3 GLN H . 50009 1 25 . 1 . 1 6 6 GLN C C 13 177.930 0.400 . 1 . . . . . 3 GLN C . 50009 1 26 . 1 . 1 6 6 GLN CA C 13 56.982 0.400 . 1 . . . . . 3 GLN CA . 50009 1 27 . 1 . 1 6 6 GLN CB C 13 27.821 0.400 . 1 . . . . . 3 GLN CB . 50009 1 28 . 1 . 1 6 6 GLN N N 15 116.062 0.400 . 1 . . . . . 3 GLN N . 50009 1 29 . 1 . 1 7 7 ILE H H 1 7.733 0.020 . 1 . . . . . 4 ILE H . 50009 1 30 . 1 . 1 7 7 ILE HD11 H 1 0.688 0.020 . 1 . . . . . 4 ILE HD11 . 50009 1 31 . 1 . 1 7 7 ILE HD12 H 1 0.688 0.020 . 1 . . . . . 4 ILE HD12 . 50009 1 32 . 1 . 1 7 7 ILE HD13 H 1 0.688 0.020 . 1 . . . . . 4 ILE HD13 . 50009 1 33 . 1 . 1 7 7 ILE C C 13 176.421 0.400 . 1 . . . . . 4 ILE C . 50009 1 34 . 1 . 1 7 7 ILE CA C 13 63.994 0.400 . 1 . . . . . 4 ILE CA . 50009 1 35 . 1 . 1 7 7 ILE CB C 13 37.413 0.400 . 1 . . . . . 4 ILE CB . 50009 1 36 . 1 . 1 7 7 ILE CD1 C 13 12.761 0.400 . 1 . . . . . 4 ILE CD1 . 50009 1 37 . 1 . 1 7 7 ILE N N 15 119.392 0.400 . 1 . . . . . 4 ILE N . 50009 1 38 . 1 . 1 8 8 THR H H 1 7.372 0.020 . 1 . . . . . 5 THR H . 50009 1 39 . 1 . 1 8 8 THR CA C 13 62.096 0.400 . 1 . . . . . 5 THR CA . 50009 1 40 . 1 . 1 8 8 THR N N 15 105.260 0.400 . 1 . . . . . 5 THR N . 50009 1 41 . 1 . 1 9 9 GLY H H 1 7.473 0.020 . 1 . . . . . 6 GLY H . 50009 1 42 . 1 . 1 9 9 GLY C C 13 173.982 0.400 . 1 . . . . . 6 GLY C . 50009 1 43 . 1 . 1 9 9 GLY CA C 13 45.225 0.400 . 1 . . . . . 6 GLY CA . 50009 1 44 . 1 . 1 9 9 GLY N N 15 107.733 0.400 . 1 . . . . . 6 GLY N . 50009 1 45 . 1 . 1 10 10 ARG H H 1 7.274 0.020 . 1 . . . . . 7 ARG H . 50009 1 46 . 1 . 1 10 10 ARG C C 13 174.880 0.400 . 1 . . . . . 7 ARG C . 50009 1 47 . 1 . 1 10 10 ARG CA C 13 52.576 0.400 . 1 . . . . . 7 ARG CA . 50009 1 48 . 1 . 1 10 10 ARG CB C 13 29.278 0.400 . 1 . . . . . 7 ARG CB . 50009 1 49 . 1 . 1 10 10 ARG N N 15 120.607 0.400 . 1 . . . . . 7 ARG N . 50009 1 50 . 1 . 1 14 14 ILE HD11 H 1 0.141 0.020 . 1 . . . . . 11 ILE HD11 . 50009 1 51 . 1 . 1 14 14 ILE HD12 H 1 0.141 0.020 . 1 . . . . . 11 ILE HD12 . 50009 1 52 . 1 . 1 14 14 ILE HD13 H 1 0.141 0.020 . 1 . . . . . 11 ILE HD13 . 50009 1 53 . 1 . 1 14 14 ILE CD1 C 13 11.983 0.400 . 1 . . . . . 11 ILE CD1 . 50009 1 54 . 1 . 1 15 15 TRP H H 1 6.253 0.020 . 1 . . . . . 12 TRP H . 50009 1 55 . 1 . 1 15 15 TRP C C 13 179.507 0.400 . 1 . . . . . 12 TRP C . 50009 1 56 . 1 . 1 15 15 TRP CA C 13 56.241 0.400 . 1 . . . . . 12 TRP CA . 50009 1 57 . 1 . 1 15 15 TRP CB C 13 29.384 0.400 . 1 . . . . . 12 TRP CB . 50009 1 58 . 1 . 1 15 15 TRP N N 15 120.037 0.400 . 1 . . . . . 12 TRP N . 50009 1 59 . 1 . 1 16 16 LEU H H 1 7.556 0.020 . 1 . . . . . 13 LEU H . 50009 1 60 . 1 . 1 16 16 LEU CA C 13 56.950 0.400 . 1 . . . . . 13 LEU CA . 50009 1 61 . 1 . 1 16 16 LEU CB C 13 41.122 0.400 . 1 . . . . . 13 LEU CB . 50009 1 62 . 1 . 1 16 16 LEU N N 15 117.628 0.400 . 1 . . . . . 13 LEU N . 50009 1 63 . 1 . 1 17 17 ALA H H 1 9.117 0.020 . 1 . . . . . 14 ALA H . 50009 1 64 . 1 . 1 17 17 ALA HB1 H 1 1.493 0.020 . 1 . . . . . 14 ALA HB1 . 50009 1 65 . 1 . 1 17 17 ALA HB2 H 1 1.493 0.020 . 1 . . . . . 14 ALA HB2 . 50009 1 66 . 1 . 1 17 17 ALA HB3 H 1 1.493 0.020 . 1 . . . . . 14 ALA HB3 . 50009 1 67 . 1 . 1 17 17 ALA CA C 13 55.278 0.400 . 1 . . . . . 14 ALA CA . 50009 1 68 . 1 . 1 17 17 ALA CB C 13 15.968 0.400 . 1 . . . . . 14 ALA CB . 50009 1 69 . 1 . 1 17 17 ALA N N 15 125.187 0.400 . 1 . . . . . 14 ALA N . 50009 1 70 . 1 . 1 18 18 LEU H H 1 8.273 0.020 . 1 . . . . . 15 LEU H . 50009 1 71 . 1 . 1 18 18 LEU HD11 H 1 0.882 0.020 . 2 . . . . . 15 LEU HD11 . 50009 1 72 . 1 . 1 18 18 LEU HD12 H 1 0.882 0.020 . 2 . . . . . 15 LEU HD12 . 50009 1 73 . 1 . 1 18 18 LEU HD13 H 1 0.882 0.020 . 2 . . . . . 15 LEU HD13 . 50009 1 74 . 1 . 1 18 18 LEU HD21 H 1 0.891 0.020 . 2 . . . . . 15 LEU HD21 . 50009 1 75 . 1 . 1 18 18 LEU HD22 H 1 0.891 0.020 . 2 . . . . . 15 LEU HD22 . 50009 1 76 . 1 . 1 18 18 LEU HD23 H 1 0.891 0.020 . 2 . . . . . 15 LEU HD23 . 50009 1 77 . 1 . 1 18 18 LEU C C 13 178.556 0.400 . 1 . . . . . 15 LEU C . 50009 1 78 . 1 . 1 18 18 LEU CA C 13 57.722 0.400 . 1 . . . . . 15 LEU CA . 50009 1 79 . 1 . 1 18 18 LEU CB C 13 40.680 0.400 . 1 . . . . . 15 LEU CB . 50009 1 80 . 1 . 1 18 18 LEU CD1 C 13 23.117 0.400 . 2 . . . . . 15 LEU CD1 . 50009 1 81 . 1 . 1 18 18 LEU CD2 C 13 23.665 0.400 . 2 . . . . . 15 LEU CD2 . 50009 1 82 . 1 . 1 18 18 LEU N N 15 118.417 0.400 . 1 . . . . . 15 LEU N . 50009 1 83 . 1 . 1 19 19 GLY H H 1 8.551 0.020 . 1 . . . . . 16 GLY H . 50009 1 84 . 1 . 1 19 19 GLY CA C 13 46.963 0.400 . 1 . . . . . 16 GLY CA . 50009 1 85 . 1 . 1 19 19 GLY N N 15 105.612 0.400 . 1 . . . . . 16 GLY N . 50009 1 86 . 1 . 1 21 21 ALA H H 1 8.067 0.020 . 1 . . . . . 18 ALA H . 50009 1 87 . 1 . 1 21 21 ALA HB1 H 1 1.388 0.020 . 1 . . . . . 18 ALA HB1 . 50009 1 88 . 1 . 1 21 21 ALA HB2 H 1 1.388 0.020 . 1 . . . . . 18 ALA HB2 . 50009 1 89 . 1 . 1 21 21 ALA HB3 H 1 1.388 0.020 . 1 . . . . . 18 ALA HB3 . 50009 1 90 . 1 . 1 21 21 ALA C C 13 178.963 0.400 . 1 . . . . . 18 ALA C . 50009 1 91 . 1 . 1 21 21 ALA CA C 13 55.021 0.400 . 1 . . . . . 18 ALA CA . 50009 1 92 . 1 . 1 21 21 ALA CB C 13 17.255 0.400 . 1 . . . . . 18 ALA CB . 50009 1 93 . 1 . 1 21 21 ALA N N 15 120.984 0.400 . 1 . . . . . 18 ALA N . 50009 1 94 . 1 . 1 22 22 LEU H H 1 8.615 0.020 . 1 . . . . . 19 LEU H . 50009 1 95 . 1 . 1 22 22 LEU HD11 H 1 0.812 0.020 . 2 . . . . . 19 LEU HD11 . 50009 1 96 . 1 . 1 22 22 LEU HD12 H 1 0.812 0.020 . 2 . . . . . 19 LEU HD12 . 50009 1 97 . 1 . 1 22 22 LEU HD13 H 1 0.812 0.020 . 2 . . . . . 19 LEU HD13 . 50009 1 98 . 1 . 1 22 22 LEU HD21 H 1 0.705 0.020 . 2 . . . . . 19 LEU HD21 . 50009 1 99 . 1 . 1 22 22 LEU HD22 H 1 0.705 0.020 . 2 . . . . . 19 LEU HD22 . 50009 1 100 . 1 . 1 22 22 LEU HD23 H 1 0.705 0.020 . 2 . . . . . 19 LEU HD23 . 50009 1 101 . 1 . 1 22 22 LEU C C 13 179.503 0.400 . 1 . . . . . 19 LEU C . 50009 1 102 . 1 . 1 22 22 LEU CA C 13 57.950 0.400 . 1 . . . . . 19 LEU CA . 50009 1 103 . 1 . 1 22 22 LEU CB C 13 40.573 0.400 . 1 . . . . . 19 LEU CB . 50009 1 104 . 1 . 1 22 22 LEU CD1 C 13 24.848 0.400 . 2 . . . . . 19 LEU CD1 . 50009 1 105 . 1 . 1 22 22 LEU CD2 C 13 20.937 0.400 . 2 . . . . . 19 LEU CD2 . 50009 1 106 . 1 . 1 22 22 LEU N N 15 115.898 0.400 . 1 . . . . . 19 LEU N . 50009 1 107 . 1 . 1 23 23 MET H H 1 8.496 0.020 . 1 . . . . . 20 MET H . 50009 1 108 . 1 . 1 23 23 MET HE1 H 1 1.968 0.020 . 1 . . . . . 20 MET HE1 . 50009 1 109 . 1 . 1 23 23 MET HE2 H 1 1.968 0.020 . 1 . . . . . 20 MET HE2 . 50009 1 110 . 1 . 1 23 23 MET HE3 H 1 1.968 0.020 . 1 . . . . . 20 MET HE3 . 50009 1 111 . 1 . 1 23 23 MET C C 13 180.723 0.400 . 1 . . . . . 20 MET C . 50009 1 112 . 1 . 1 23 23 MET CA C 13 57.077 0.400 . 1 . . . . . 20 MET CA . 50009 1 113 . 1 . 1 23 23 MET CB C 13 30.038 0.400 . 1 . . . . . 20 MET CB . 50009 1 114 . 1 . 1 23 23 MET CE C 13 18.284 0.400 . 1 . . . . . 20 MET CE . 50009 1 115 . 1 . 1 23 23 MET N N 15 115.190 0.400 . 1 . . . . . 20 MET N . 50009 1 116 . 1 . 1 24 24 GLY H H 1 8.731 0.020 . 1 . . . . . 21 GLY H . 50009 1 117 . 1 . 1 24 24 GLY C C 13 173.998 0.400 . 1 . . . . . 21 GLY C . 50009 1 118 . 1 . 1 24 24 GLY CA C 13 47.269 0.400 . 1 . . . . . 21 GLY CA . 50009 1 119 . 1 . 1 24 24 GLY N N 15 109.838 0.400 . 1 . . . . . 21 GLY N . 50009 1 120 . 1 . 1 25 25 LEU H H 1 8.553 0.020 . 1 . . . . . 22 LEU H . 50009 1 121 . 1 . 1 25 25 LEU HD11 H 1 0.728 0.020 . 2 . . . . . 22 LEU HD11 . 50009 1 122 . 1 . 1 25 25 LEU HD12 H 1 0.728 0.020 . 2 . . . . . 22 LEU HD12 . 50009 1 123 . 1 . 1 25 25 LEU HD13 H 1 0.728 0.020 . 2 . . . . . 22 LEU HD13 . 50009 1 124 . 1 . 1 25 25 LEU HD21 H 1 0.717 0.020 . 2 . . . . . 22 LEU HD21 . 50009 1 125 . 1 . 1 25 25 LEU HD22 H 1 0.717 0.020 . 2 . . . . . 22 LEU HD22 . 50009 1 126 . 1 . 1 25 25 LEU HD23 H 1 0.717 0.020 . 2 . . . . . 22 LEU HD23 . 50009 1 127 . 1 . 1 25 25 LEU C C 13 178.492 0.400 . 1 . . . . . 22 LEU C . 50009 1 128 . 1 . 1 25 25 LEU CA C 13 57.561 0.400 . 1 . . . . . 22 LEU CA . 50009 1 129 . 1 . 1 25 25 LEU CB C 13 40.610 0.400 . 1 . . . . . 22 LEU CB . 50009 1 130 . 1 . 1 25 25 LEU CD1 C 13 23.660 0.400 . 2 . . . . . 22 LEU CD1 . 50009 1 131 . 1 . 1 25 25 LEU CD2 C 13 22.105 0.400 . 2 . . . . . 22 LEU CD2 . 50009 1 132 . 1 . 1 25 25 LEU N N 15 120.755 0.400 . 1 . . . . . 22 LEU N . 50009 1 133 . 1 . 1 26 26 GLY H H 1 8.327 0.020 . 1 . . . . . 23 GLY H . 50009 1 134 . 1 . 1 26 26 GLY C C 13 172.730 0.400 . 1 . . . . . 23 GLY C . 50009 1 135 . 1 . 1 26 26 GLY CA C 13 46.916 0.400 . 1 . . . . . 23 GLY CA . 50009 1 136 . 1 . 1 26 26 GLY N N 15 104.565 0.400 . 1 . . . . . 23 GLY N . 50009 1 137 . 1 . 1 27 27 THR H H 1 7.724 0.020 . 1 . . . . . 24 THR H . 50009 1 138 . 1 . 1 27 27 THR CA C 13 67.950 0.400 . 1 . . . . . 24 THR CA . 50009 1 139 . 1 . 1 27 27 THR N N 15 115.875 0.400 . 1 . . . . . 24 THR N . 50009 1 140 . 1 . 1 28 28 LEU H H 1 7.658 0.020 . 1 . . . . . 25 LEU H . 50009 1 141 . 1 . 1 28 28 LEU HD11 H 1 0.735 0.020 . 2 . . . . . 25 LEU HD11 . 50009 1 142 . 1 . 1 28 28 LEU HD12 H 1 0.735 0.020 . 2 . . . . . 25 LEU HD12 . 50009 1 143 . 1 . 1 28 28 LEU HD13 H 1 0.735 0.020 . 2 . . . . . 25 LEU HD13 . 50009 1 144 . 1 . 1 28 28 LEU HD21 H 1 0.717 0.020 . 2 . . . . . 25 LEU HD21 . 50009 1 145 . 1 . 1 28 28 LEU HD22 H 1 0.717 0.020 . 2 . . . . . 25 LEU HD22 . 50009 1 146 . 1 . 1 28 28 LEU HD23 H 1 0.717 0.020 . 2 . . . . . 25 LEU HD23 . 50009 1 147 . 1 . 1 28 28 LEU C C 13 177.401 0.400 . 1 . . . . . 25 LEU C . 50009 1 148 . 1 . 1 28 28 LEU CA C 13 57.626 0.400 . 1 . . . . . 25 LEU CA . 50009 1 149 . 1 . 1 28 28 LEU CB C 13 40.937 0.400 . 1 . . . . . 25 LEU CB . 50009 1 150 . 1 . 1 28 28 LEU CD1 C 13 23.662 0.400 . 2 . . . . . 25 LEU CD1 . 50009 1 151 . 1 . 1 28 28 LEU CD2 C 13 22.728 0.400 . 2 . . . . . 25 LEU CD2 . 50009 1 152 . 1 . 1 28 28 LEU N N 15 118.097 0.400 . 1 . . . . . 25 LEU N . 50009 1 153 . 1 . 1 29 29 TYR H H 1 8.258 0.020 . 1 . . . . . 26 TYR H . 50009 1 154 . 1 . 1 29 29 TYR C C 13 176.566 0.400 . 1 . . . . . 26 TYR C . 50009 1 155 . 1 . 1 29 29 TYR CA C 13 61.421 0.400 . 1 . . . . . 26 TYR CA . 50009 1 156 . 1 . 1 29 29 TYR CB C 13 37.585 0.400 . 1 . . . . . 26 TYR CB . 50009 1 157 . 1 . 1 29 29 TYR N N 15 117.919 0.400 . 1 . . . . . 26 TYR N . 50009 1 158 . 1 . 1 30 30 PHE H H 1 8.165 0.020 . 1 . . . . . 27 PHE H . 50009 1 159 . 1 . 1 30 30 PHE C C 13 178.733 0.400 . 1 . . . . . 27 PHE C . 50009 1 160 . 1 . 1 30 30 PHE CA C 13 57.851 0.400 . 1 . . . . . 27 PHE CA . 50009 1 161 . 1 . 1 30 30 PHE CB C 13 37.002 0.400 . 1 . . . . . 27 PHE CB . 50009 1 162 . 1 . 1 30 30 PHE N N 15 116.840 0.400 . 1 . . . . . 27 PHE N . 50009 1 163 . 1 . 1 31 31 LEU H H 1 8.550 0.020 . 1 . . . . . 28 LEU H . 50009 1 164 . 1 . 1 31 31 LEU HD11 H 1 0.835 0.020 . 2 . . . . . 28 LEU HD11 . 50009 1 165 . 1 . 1 31 31 LEU HD12 H 1 0.835 0.020 . 2 . . . . . 28 LEU HD12 . 50009 1 166 . 1 . 1 31 31 LEU HD13 H 1 0.835 0.020 . 2 . . . . . 28 LEU HD13 . 50009 1 167 . 1 . 1 31 31 LEU HD21 H 1 0.817 0.020 . 2 . . . . . 28 LEU HD21 . 50009 1 168 . 1 . 1 31 31 LEU HD22 H 1 0.817 0.020 . 2 . . . . . 28 LEU HD22 . 50009 1 169 . 1 . 1 31 31 LEU HD23 H 1 0.817 0.020 . 2 . . . . . 28 LEU HD23 . 50009 1 170 . 1 . 1 31 31 LEU C C 13 179.038 0.400 . 1 . . . . . 28 LEU C . 50009 1 171 . 1 . 1 31 31 LEU CA C 13 57.740 0.400 . 1 . . . . . 28 LEU CA . 50009 1 172 . 1 . 1 31 31 LEU CB C 13 41.727 0.400 . 1 . . . . . 28 LEU CB . 50009 1 173 . 1 . 1 31 31 LEU CD1 C 13 23.825 0.400 . 2 . . . . . 28 LEU CD1 . 50009 1 174 . 1 . 1 31 31 LEU CD2 C 13 24.363 0.400 . 2 . . . . . 28 LEU CD2 . 50009 1 175 . 1 . 1 31 31 LEU N N 15 119.668 0.400 . 1 . . . . . 28 LEU N . 50009 1 176 . 1 . 1 32 32 VAL H H 1 8.271 0.020 . 1 . . . . . 29 VAL H . 50009 1 177 . 1 . 1 32 32 VAL HG11 H 1 0.870 0.020 . 2 . . . . . 29 VAL HG11 . 50009 1 178 . 1 . 1 32 32 VAL HG12 H 1 0.870 0.020 . 2 . . . . . 29 VAL HG12 . 50009 1 179 . 1 . 1 32 32 VAL HG13 H 1 0.870 0.020 . 2 . . . . . 29 VAL HG13 . 50009 1 180 . 1 . 1 32 32 VAL HG21 H 1 0.999 0.020 . 2 . . . . . 29 VAL HG21 . 50009 1 181 . 1 . 1 32 32 VAL HG22 H 1 0.999 0.020 . 2 . . . . . 29 VAL HG22 . 50009 1 182 . 1 . 1 32 32 VAL HG23 H 1 0.999 0.020 . 2 . . . . . 29 VAL HG23 . 50009 1 183 . 1 . 1 32 32 VAL C C 13 179.343 0.400 . 1 . . . . . 29 VAL C . 50009 1 184 . 1 . 1 32 32 VAL CA C 13 65.859 0.400 . 1 . . . . . 29 VAL CA . 50009 1 185 . 1 . 1 32 32 VAL CB C 13 30.553 0.400 . 1 . . . . . 29 VAL CB . 50009 1 186 . 1 . 1 32 32 VAL CG1 C 13 20.392 0.400 . 2 . . . . . 29 VAL CG1 . 50009 1 187 . 1 . 1 32 32 VAL CG2 C 13 21.716 0.400 . 2 . . . . . 29 VAL CG2 . 50009 1 188 . 1 . 1 32 32 VAL N N 15 117.099 0.400 . 1 . . . . . 29 VAL N . 50009 1 189 . 1 . 1 33 33 LYS H H 1 8.376 0.020 . 1 . . . . . 30 LYS H . 50009 1 190 . 1 . 1 33 33 LYS C C 13 179.407 0.400 . 1 . . . . . 30 LYS C . 50009 1 191 . 1 . 1 33 33 LYS CA C 13 57.593 0.400 . 1 . . . . . 30 LYS CA . 50009 1 192 . 1 . 1 33 33 LYS CB C 13 30.371 0.400 . 1 . . . . . 30 LYS CB . 50009 1 193 . 1 . 1 33 33 LYS N N 15 119.911 0.400 . 1 . . . . . 30 LYS N . 50009 1 194 . 1 . 1 34 34 GLY H H 1 8.104 0.020 . 1 . . . . . 31 GLY H . 50009 1 195 . 1 . 1 34 34 GLY C C 13 175.779 0.400 . 1 . . . . . 31 GLY C . 50009 1 196 . 1 . 1 34 34 GLY CA C 13 45.873 0.400 . 1 . . . . . 31 GLY CA . 50009 1 197 . 1 . 1 34 34 GLY N N 15 106.090 0.400 . 1 . . . . . 31 GLY N . 50009 1 198 . 1 . 1 35 35 MET H H 1 7.477 0.020 . 1 . . . . . 32 MET H . 50009 1 199 . 1 . 1 35 35 MET HE1 H 1 1.974 0.020 . 1 . . . . . 32 MET HE1 . 50009 1 200 . 1 . 1 35 35 MET HE2 H 1 1.974 0.020 . 1 . . . . . 32 MET HE2 . 50009 1 201 . 1 . 1 35 35 MET HE3 H 1 1.974 0.020 . 1 . . . . . 32 MET HE3 . 50009 1 202 . 1 . 1 35 35 MET C C 13 177.272 0.400 . 1 . . . . . 32 MET C . 50009 1 203 . 1 . 1 35 35 MET CA C 13 57.561 0.400 . 1 . . . . . 32 MET CA . 50009 1 204 . 1 . 1 35 35 MET CB C 13 31.464 0.400 . 1 . . . . . 32 MET CB . 50009 1 205 . 1 . 1 35 35 MET CE C 13 15.833 0.400 . 1 . . . . . 32 MET CE . 50009 1 206 . 1 . 1 35 35 MET N N 15 119.222 0.400 . 1 . . . . . 32 MET N . 50009 1 207 . 1 . 1 36 36 GLY H H 1 7.769 0.020 . 1 . . . . . 33 GLY H . 50009 1 208 . 1 . 1 36 36 GLY C C 13 174.126 0.400 . 1 . . . . . 33 GLY C . 50009 1 209 . 1 . 1 36 36 GLY CA C 13 44.510 0.400 . 1 . . . . . 33 GLY CA . 50009 1 210 . 1 . 1 36 36 GLY N N 15 105.598 0.400 . 1 . . . . . 33 GLY N . 50009 1 211 . 1 . 1 37 37 VAL H H 1 7.098 0.020 . 1 . . . . . 34 VAL H . 50009 1 212 . 1 . 1 37 37 VAL HG11 H 1 0.929 0.020 . 2 . . . . . 34 VAL HG11 . 50009 1 213 . 1 . 1 37 37 VAL HG12 H 1 0.929 0.020 . 2 . . . . . 34 VAL HG12 . 50009 1 214 . 1 . 1 37 37 VAL HG13 H 1 0.929 0.020 . 2 . . . . . 34 VAL HG13 . 50009 1 215 . 1 . 1 37 37 VAL HG21 H 1 0.700 0.020 . 2 . . . . . 34 VAL HG21 . 50009 1 216 . 1 . 1 37 37 VAL HG22 H 1 0.700 0.020 . 2 . . . . . 34 VAL HG22 . 50009 1 217 . 1 . 1 37 37 VAL HG23 H 1 0.700 0.020 . 2 . . . . . 34 VAL HG23 . 50009 1 218 . 1 . 1 37 37 VAL C C 13 175.185 0.400 . 1 . . . . . 34 VAL C . 50009 1 219 . 1 . 1 37 37 VAL CA C 13 62.321 0.400 . 1 . . . . . 34 VAL CA . 50009 1 220 . 1 . 1 37 37 VAL CB C 13 31.568 0.400 . 1 . . . . . 34 VAL CB . 50009 1 221 . 1 . 1 37 37 VAL CG1 C 13 20.781 0.400 . 2 . . . . . 34 VAL CG1 . 50009 1 222 . 1 . 1 37 37 VAL CG2 C 13 20.175 0.400 . 2 . . . . . 34 VAL CG2 . 50009 1 223 . 1 . 1 37 37 VAL N N 15 121.436 0.400 . 1 . . . . . 34 VAL N . 50009 1 224 . 1 . 1 38 38 SER H H 1 8.666 0.020 . 1 . . . . . 35 SER H . 50009 1 225 . 1 . 1 38 38 SER CA C 13 57.529 0.400 . 1 . . . . . 35 SER CA . 50009 1 226 . 1 . 1 38 38 SER CB C 13 63.818 0.400 . 1 . . . . . 35 SER CB . 50009 1 227 . 1 . 1 38 38 SER N N 15 119.566 0.400 . 1 . . . . . 35 SER N . 50009 1 228 . 1 . 1 39 39 ASP H H 1 7.267 0.020 . 1 . . . . . 36 ASP H . 50009 1 229 . 1 . 1 39 39 ASP C C 13 174.511 0.400 . 1 . . . . . 36 ASP C . 50009 1 230 . 1 . 1 39 39 ASP CA C 13 52.094 0.400 . 1 . . . . . 36 ASP CA . 50009 1 231 . 1 . 1 39 39 ASP CB C 13 42.978 0.400 . 1 . . . . . 36 ASP CB . 50009 1 232 . 1 . 1 39 39 ASP N N 15 125.582 0.400 . 1 . . . . . 36 ASP N . 50009 1 233 . 1 . 1 40 40 PRO C C 13 179.017 0.400 . 1 . . . . . 37 PRO C . 50009 1 234 . 1 . 1 40 40 PRO CA C 13 64.894 0.400 . 1 . . . . . 37 PRO C . 50009 1 235 . 1 . 1 40 40 PRO CB C 13 31.268 0.400 . 1 . . . . . 37 PRO C . 50009 1 236 . 1 . 1 41 41 ASP H H 1 7.980 0.020 . 1 . . . . . 38 ASP H . 50009 1 237 . 1 . 1 41 41 ASP C C 13 177.689 0.400 . 1 . . . . . 38 ASP C . 50009 1 238 . 1 . 1 41 41 ASP CA C 13 56.982 0.400 . 1 . . . . . 38 ASP CA . 50009 1 239 . 1 . 1 41 41 ASP CB C 13 39.553 0.400 . 1 . . . . . 38 ASP CB . 50009 1 240 . 1 . 1 41 41 ASP N N 15 118.688 0.400 . 1 . . . . . 38 ASP N . 50009 1 241 . 1 . 1 42 42 ALA H H 1 8.254 0.020 . 1 . . . . . 39 ALA H . 50009 1 242 . 1 . 1 42 42 ALA HB1 H 1 0.901 0.020 . 1 . . . . . 39 ALA HB1 . 50009 1 243 . 1 . 1 42 42 ALA HB2 H 1 0.901 0.020 . 1 . . . . . 39 ALA HB2 . 50009 1 244 . 1 . 1 42 42 ALA HB3 H 1 0.901 0.020 . 1 . . . . . 39 ALA HB3 . 50009 1 245 . 1 . 1 42 42 ALA C C 13 180.595 0.400 . 1 . . . . . 39 ALA C . 50009 1 246 . 1 . 1 42 42 ALA CA C 13 54.827 0.400 . 1 . . . . . 39 ALA CA . 50009 1 247 . 1 . 1 42 42 ALA CB C 13 18.005 0.400 . 1 . . . . . 39 ALA CB . 50009 1 248 . 1 . 1 42 42 ALA N N 15 123.357 0.400 . 1 . . . . . 39 ALA N . 50009 1 249 . 1 . 1 43 43 LYS H H 1 8.303 0.020 . 1 . . . . . 40 LYS H . 50009 1 250 . 1 . 1 43 43 LYS C C 13 178.893 0.400 . 1 . . . . . 40 LYS C . 50009 1 251 . 1 . 1 43 43 LYS CA C 13 59.620 0.400 . 1 . . . . . 40 LYS CA . 50009 1 252 . 1 . 1 43 43 LYS CB C 13 31.246 0.400 . 1 . . . . . 40 LYS CB . 50009 1 253 . 1 . 1 43 43 LYS N N 15 116.484 0.400 . 1 . . . . . 40 LYS N . 50009 1 254 . 1 . 1 44 44 LYS H H 1 7.512 0.020 . 1 . . . . . 41 LYS H . 50009 1 255 . 1 . 1 44 44 LYS C C 13 177.673 0.400 . 1 . . . . . 41 LYS C . 50009 1 256 . 1 . 1 44 44 LYS CA C 13 59.505 0.400 . 1 . . . . . 41 LYS CA . 50009 1 257 . 1 . 1 44 44 LYS CB C 13 30.525 0.400 . 1 . . . . . 41 LYS CB . 50009 1 258 . 1 . 1 44 44 LYS N N 15 118.579 0.400 . 1 . . . . . 41 LYS N . 50009 1 259 . 1 . 1 45 45 PHE H H 1 7.308 0.020 . 1 . . . . . 42 PHE H . 50009 1 260 . 1 . 1 45 45 PHE C C 13 180.900 0.400 . 1 . . . . . 42 PHE C . 50009 1 261 . 1 . 1 45 45 PHE CA C 13 61.774 0.400 . 1 . . . . . 42 PHE CA . 50009 1 262 . 1 . 1 45 45 PHE CB C 13 38.022 0.400 . 1 . . . . . 42 PHE CB . 50009 1 263 . 1 . 1 45 45 PHE N N 15 115.473 0.400 . 1 . . . . . 42 PHE N . 50009 1 264 . 1 . 1 46 46 TYR H H 1 8.744 0.020 . 1 . . . . . 43 TYR H . 50009 1 265 . 1 . 1 46 46 TYR C C 13 178.460 0.400 . 1 . . . . . 43 TYR C . 50009 1 266 . 1 . 1 46 46 TYR CA C 13 63.801 0.400 . 1 . . . . . 43 TYR CA . 50009 1 267 . 1 . 1 46 46 TYR CB C 13 37.075 0.400 . 1 . . . . . 43 TYR CB . 50009 1 268 . 1 . 1 46 46 TYR N N 15 121.493 0.400 . 1 . . . . . 43 TYR N . 50009 1 269 . 1 . 1 47 47 ALA H H 1 8.489 0.020 . 1 . . . . . 44 ALA H . 50009 1 270 . 1 . 1 47 47 ALA HB1 H 1 1.472 0.020 . 1 . . . . . 44 ALA HB1 . 50009 1 271 . 1 . 1 47 47 ALA HB2 H 1 1.472 0.020 . 1 . . . . . 44 ALA HB2 . 50009 1 272 . 1 . 1 47 47 ALA HB3 H 1 1.472 0.020 . 1 . . . . . 44 ALA HB3 . 50009 1 273 . 1 . 1 47 47 ALA C C 13 178.203 0.400 . 1 . . . . . 44 ALA C . 50009 1 274 . 1 . 1 47 47 ALA CA C 13 55.760 0.400 . 1 . . . . . 44 ALA CA . 50009 1 275 . 1 . 1 47 47 ALA CB C 13 17.293 0.400 . 1 . . . . . 44 ALA CB . 50009 1 276 . 1 . 1 47 47 ALA N N 15 124.072 0.400 . 1 . . . . . 44 ALA N . 50009 1 277 . 1 . 1 48 48 ILE H H 1 7.821 0.020 . 1 . . . . . 45 ILE H . 50009 1 278 . 1 . 1 48 48 ILE HD11 H 1 0.600 0.020 . 1 . . . . . 45 ILE HD11 . 50009 1 279 . 1 . 1 48 48 ILE HD12 H 1 0.600 0.020 . 1 . . . . . 45 ILE HD12 . 50009 1 280 . 1 . 1 48 48 ILE HD13 H 1 0.600 0.020 . 1 . . . . . 45 ILE HD13 . 50009 1 281 . 1 . 1 48 48 ILE C C 13 177.031 0.400 . 1 . . . . . 45 ILE C . 50009 1 282 . 1 . 1 48 48 ILE CA C 13 65.248 0.400 . 1 . . . . . 45 ILE CA . 50009 1 283 . 1 . 1 48 48 ILE CB C 13 37.622 0.400 . 1 . . . . . 45 ILE CB . 50009 1 284 . 1 . 1 48 48 ILE CD1 C 13 12.528 0.400 . 1 . . . . . 45 ILE CD1 . 50009 1 285 . 1 . 1 48 48 ILE N N 15 114.280 0.400 . 1 . . . . . 45 ILE N . 50009 1 286 . 1 . 1 49 49 THR H H 1 7.795 0.020 . 1 . . . . . 46 THR H . 50009 1 287 . 1 . 1 49 49 THR CB C 13 68.053 0.400 . 1 . . . . . 46 THR CB . 50009 1 288 . 1 . 1 49 49 THR N N 15 109.719 0.400 . 1 . . . . . 46 THR N . 50009 1 289 . 1 . 1 51 51 LEU H H 1 7.354 0.020 . 1 . . . . . 48 LEU H . 50009 1 290 . 1 . 1 51 51 LEU HD11 H 1 0.884 0.020 . 2 . . . . . 48 LEU HD11 . 50009 1 291 . 1 . 1 51 51 LEU HD12 H 1 0.884 0.020 . 2 . . . . . 48 LEU HD12 . 50009 1 292 . 1 . 1 51 51 LEU HD13 H 1 0.884 0.020 . 2 . . . . . 48 LEU HD13 . 50009 1 293 . 1 . 1 51 51 LEU HD21 H 1 0.824 0.020 . 2 . . . . . 48 LEU HD21 . 50009 1 294 . 1 . 1 51 51 LEU HD22 H 1 0.824 0.020 . 2 . . . . . 48 LEU HD22 . 50009 1 295 . 1 . 1 51 51 LEU HD23 H 1 0.824 0.020 . 2 . . . . . 48 LEU HD23 . 50009 1 296 . 1 . 1 51 51 LEU C C 13 177.288 0.400 . 1 . . . . . 48 LEU C . 50009 1 297 . 1 . 1 51 51 LEU CA C 13 57.047 0.400 . 1 . . . . . 48 LEU CA . 50009 1 298 . 1 . 1 51 51 LEU CB C 13 41.447 0.400 . 1 . . . . . 48 LEU CB . 50009 1 299 . 1 . 1 51 51 LEU CD1 C 13 23.784 0.400 . 2 . . . . . 48 LEU CD1 . 50009 1 300 . 1 . 1 51 51 LEU CD2 C 13 23.356 0.400 . 2 . . . . . 48 LEU CD2 . 50009 1 301 . 1 . 1 51 51 LEU N N 15 118.569 0.400 . 1 . . . . . 48 LEU N . 50009 1 302 . 1 . 1 52 52 VAL H H 1 7.247 0.020 . 1 . . . . . 49 VAL H . 50009 1 303 . 1 . 1 52 52 VAL C C 13 174.704 0.400 . 1 . . . . . 49 VAL C . 50009 1 304 . 1 . 1 52 52 VAL CA C 13 68.733 0.400 . 1 . . . . . 49 VAL CA . 50009 1 305 . 1 . 1 52 52 VAL CB C 13 28.041 0.400 . 1 . . . . . 49 VAL CB . 50009 1 306 . 1 . 1 52 52 VAL N N 15 114.354 0.400 . 1 . . . . . 49 VAL N . 50009 1 307 . 1 . 1 53 53 PRO C C 13 176.801 0.400 . 1 . . . . . 50 PRO C . 50009 1 308 . 1 . 1 53 53 PRO CA C 13 64.573 0.400 . 1 . . . . . 50 PRO C . 50009 1 309 . 1 . 1 53 53 PRO CB C 13 29.289 0.400 . 1 . . . . . 50 PRO C . 50009 1 310 . 1 . 1 54 54 ALA H H 1 7.195 0.020 . 1 . . . . . 51 ALA H . 50009 1 311 . 1 . 1 54 54 ALA HB1 H 1 1.520 0.020 . 1 . . . . . 51 ALA HB1 . 50009 1 312 . 1 . 1 54 54 ALA HB2 H 1 1.520 0.020 . 1 . . . . . 51 ALA HB2 . 50009 1 313 . 1 . 1 54 54 ALA HB3 H 1 1.520 0.020 . 1 . . . . . 51 ALA HB3 . 50009 1 314 . 1 . 1 54 54 ALA C C 13 180.290 0.400 . 1 . . . . . 51 ALA C . 50009 1 315 . 1 . 1 54 54 ALA CA C 13 55.246 0.400 . 1 . . . . . 51 ALA CA . 50009 1 316 . 1 . 1 54 54 ALA CB C 13 17.443 0.400 . 1 . . . . . 51 ALA CB . 50009 1 317 . 1 . 1 54 54 ALA N N 15 124.257 0.400 . 1 . . . . . 51 ALA N . 50009 1 318 . 1 . 1 55 55 ILE H H 1 8.324 0.020 . 1 . . . . . 52 ILE H . 50009 1 319 . 1 . 1 55 55 ILE HD11 H 1 0.735 0.020 . 1 . . . . . 52 ILE HD11 . 50009 1 320 . 1 . 1 55 55 ILE HD12 H 1 0.735 0.020 . 1 . . . . . 52 ILE HD12 . 50009 1 321 . 1 . 1 55 55 ILE HD13 H 1 0.735 0.020 . 1 . . . . . 52 ILE HD13 . 50009 1 322 . 1 . 1 55 55 ILE C C 13 178.637 0.400 . 1 . . . . . 52 ILE C . 50009 1 323 . 1 . 1 55 55 ILE CA C 13 65.216 0.400 . 1 . . . . . 52 ILE CA . 50009 1 324 . 1 . 1 55 55 ILE CB C 13 36.588 0.400 . 1 . . . . . 52 ILE CB . 50009 1 325 . 1 . 1 55 55 ILE CD1 C 13 12.683 0.400 . 1 . . . . . 52 ILE CD1 . 50009 1 326 . 1 . 1 55 55 ILE N N 15 119.428 0.400 . 1 . . . . . 52 ILE N . 50009 1 327 . 1 . 1 56 56 ALA H H 1 7.729 0.020 . 1 . . . . . 53 ALA H . 50009 1 328 . 1 . 1 56 56 ALA HB1 H 1 1.781 0.020 . 1 . . . . . 53 ALA HB1 . 50009 1 329 . 1 . 1 56 56 ALA HB2 H 1 1.781 0.020 . 1 . . . . . 53 ALA HB2 . 50009 1 330 . 1 . 1 56 56 ALA HB3 H 1 1.781 0.020 . 1 . . . . . 53 ALA HB3 . 50009 1 331 . 1 . 1 56 56 ALA C C 13 180.033 0.400 . 1 . . . . . 53 ALA C . 50009 1 332 . 1 . 1 56 56 ALA CA C 13 55.278 0.400 . 1 . . . . . 53 ALA CA . 50009 1 333 . 1 . 1 56 56 ALA CB C 13 17.444 0.400 . 1 . . . . . 53 ALA CB . 50009 1 334 . 1 . 1 56 56 ALA N N 15 122.219 0.400 . 1 . . . . . 53 ALA N . 50009 1 335 . 1 . 1 57 57 PHE H H 1 9.342 0.020 . 1 . . . . . 54 PHE H . 50009 1 336 . 1 . 1 57 57 PHE C C 13 175.426 0.400 . 1 . . . . . 54 PHE C . 50009 1 337 . 1 . 1 57 57 PHE CA C 13 61.404 0.400 . 1 . . . . . 54 PHE CA . 50009 1 338 . 1 . 1 57 57 PHE CB C 13 37.622 0.400 . 1 . . . . . 54 PHE CB . 50009 1 339 . 1 . 1 57 57 PHE N N 15 119.058 0.400 . 1 . . . . . 54 PHE N . 50009 1 340 . 1 . 1 58 58 THR H H 1 7.572 0.020 . 1 . . . . . 55 THR H . 50009 1 341 . 1 . 1 58 58 THR CA C 13 66.695 0.400 . 1 . . . . . 55 THR CA . 50009 1 342 . 1 . 1 58 58 THR CB C 13 67.612 0.400 . 1 . . . . . 55 THR CB . 50009 1 343 . 1 . 1 58 58 THR N N 15 113.422 0.400 . 1 . . . . . 55 THR N . 50009 1 344 . 1 . 1 63 63 MET HE1 H 1 1.039 0.020 . 1 . . . . . 60 MET HE1 . 50009 1 345 . 1 . 1 63 63 MET HE2 H 1 1.039 0.020 . 1 . . . . . 60 MET HE2 . 50009 1 346 . 1 . 1 63 63 MET HE3 H 1 1.039 0.020 . 1 . . . . . 60 MET HE3 . 50009 1 347 . 1 . 1 63 63 MET CE C 13 14.597 0.400 . 1 . . . . . 60 MET CE . 50009 1 348 . 1 . 1 71 71 MET HE1 H 1 1.879 0.020 . 1 . . . . . 68 MET HE1 . 50009 1 349 . 1 . 1 71 71 MET HE2 H 1 1.879 0.020 . 1 . . . . . 68 MET HE2 . 50009 1 350 . 1 . 1 71 71 MET HE3 H 1 1.879 0.020 . 1 . . . . . 68 MET HE3 . 50009 1 351 . 1 . 1 71 71 MET CE C 13 16.244 0.400 . 1 . . . . . 68 MET CE . 50009 1 352 . 1 . 1 76 76 GLY H H 1 8.349 0.020 . 1 . . . . . 73 GLY H . 50009 1 353 . 1 . 1 76 76 GLY C C 13 173.805 0.400 . 1 . . . . . 73 GLY C . 50009 1 354 . 1 . 1 76 76 GLY CA C 13 44.851 0.400 . 1 . . . . . 73 GLY CA . 50009 1 355 . 1 . 1 76 76 GLY N N 15 108.014 0.400 . 1 . . . . . 73 GLY N . 50009 1 356 . 1 . 1 77 77 GLU H H 1 7.601 0.020 . 1 . . . . . 74 GLU H . 50009 1 357 . 1 . 1 77 77 GLU C C 13 175.234 0.400 . 1 . . . . . 74 GLU C . 50009 1 358 . 1 . 1 77 77 GLU CA C 13 54.249 0.400 . 1 . . . . . 74 GLU CA . 50009 1 359 . 1 . 1 77 77 GLU CB C 13 31.100 0.400 . 1 . . . . . 74 GLU CB . 50009 1 360 . 1 . 1 77 77 GLU N N 15 119.156 0.400 . 1 . . . . . 74 GLU N . 50009 1 361 . 1 . 1 78 78 GLN H H 1 8.305 0.020 . 1 . . . . . 75 GLN H . 50009 1 362 . 1 . 1 78 78 GLN C C 13 174.929 0.400 . 1 . . . . . 75 GLN C . 50009 1 363 . 1 . 1 78 78 GLN CA C 13 54.956 0.400 . 1 . . . . . 75 GLN CA . 50009 1 364 . 1 . 1 78 78 GLN CB C 13 28.914 0.400 . 1 . . . . . 75 GLN CB . 50009 1 365 . 1 . 1 78 78 GLN N N 15 119.053 0.400 . 1 . . . . . 75 GLN N . 50009 1 366 . 1 . 1 79 79 ASN H H 1 8.322 0.020 . 1 . . . . . 76 ASN H . 50009 1 367 . 1 . 1 79 79 ASN C C 13 172.505 0.400 . 1 . . . . . 76 ASN C . 50009 1 368 . 1 . 1 79 79 ASN CA C 13 50.453 0.400 . 1 . . . . . 76 ASN CA . 50009 1 369 . 1 . 1 79 79 ASN CB C 13 40.209 0.400 . 1 . . . . . 76 ASN CB . 50009 1 370 . 1 . 1 79 79 ASN N N 15 121.317 0.400 . 1 . . . . . 76 ASN N . 50009 1 371 . 1 . 1 90 90 LEU HD11 H 1 0.670 0.020 . 2 . . . . . 87 LEU HD11 . 50009 1 372 . 1 . 1 90 90 LEU HD12 H 1 0.670 0.020 . 2 . . . . . 87 LEU HD12 . 50009 1 373 . 1 . 1 90 90 LEU HD13 H 1 0.670 0.020 . 2 . . . . . 87 LEU HD13 . 50009 1 374 . 1 . 1 90 90 LEU CD1 C 13 22.111 0.400 . 2 . . . . . 87 LEU CD1 . 50009 1 375 . 1 . 1 94 94 PRO C C 13 178.439 0.400 . 1 . . . . . 91 PRO C . 50009 1 376 . 1 . 1 94 94 PRO CA C 13 65.827 0.400 . 1 . . . . . 91 PRO C . 50009 1 377 . 1 . 1 94 94 PRO CB C 13 30.316 0.400 . 1 . . . . . 91 PRO C . 50009 1 378 . 1 . 1 95 95 LEU H H 1 6.561 0.020 . 1 . . . . . 92 LEU H . 50009 1 379 . 1 . 1 95 95 LEU HD11 H 1 0.940 0.020 . 2 . . . . . 92 LEU HD11 . 50009 1 380 . 1 . 1 95 95 LEU HD12 H 1 0.940 0.020 . 2 . . . . . 92 LEU HD12 . 50009 1 381 . 1 . 1 95 95 LEU HD13 H 1 0.940 0.020 . 2 . . . . . 92 LEU HD13 . 50009 1 382 . 1 . 1 95 95 LEU C C 13 178.341 0.400 . 1 . . . . . 92 LEU C . 50009 1 383 . 1 . 1 95 95 LEU CA C 13 57.433 0.400 . 1 . . . . . 92 LEU CA . 50009 1 384 . 1 . 1 95 95 LEU CB C 13 40.057 0.400 . 1 . . . . . 92 LEU CB . 50009 1 385 . 1 . 1 95 95 LEU CD1 C 13 25.298 0.400 . 2 . . . . . 92 LEU CD1 . 50009 1 386 . 1 . 1 95 95 LEU N N 15 115.497 0.400 . 1 . . . . . 92 LEU N . 50009 1 387 . 1 . 1 96 96 LEU H H 1 7.542 0.020 . 1 . . . . . 93 LEU H . 50009 1 388 . 1 . 1 96 96 LEU CA C 13 57.819 0.400 . 1 . . . . . 93 LEU CA . 50009 1 389 . 1 . 1 96 96 LEU CB C 13 41.010 0.400 . 1 . . . . . 93 LEU CB . 50009 1 390 . 1 . 1 96 96 LEU N N 15 119.113 0.400 . 1 . . . . . 93 LEU N . 50009 1 391 . 1 . 1 97 97 LEU H H 1 7.649 0.020 . 1 . . . . . 94 LEU H . 50009 1 392 . 1 . 1 97 97 LEU HD11 H 1 0.929 0.020 . 2 . . . . . 94 LEU HD11 . 50009 1 393 . 1 . 1 97 97 LEU HD12 H 1 0.929 0.020 . 2 . . . . . 94 LEU HD12 . 50009 1 394 . 1 . 1 97 97 LEU HD13 H 1 0.929 0.020 . 2 . . . . . 94 LEU HD13 . 50009 1 395 . 1 . 1 97 97 LEU CA C 13 57.497 0.400 . 1 . . . . . 94 LEU CA . 50009 1 396 . 1 . 1 97 97 LEU CB C 13 40.209 0.400 . 1 . . . . . 94 LEU CB . 50009 1 397 . 1 . 1 97 97 LEU CD1 C 13 25.687 0.400 . 2 . . . . . 94 LEU CD1 . 50009 1 398 . 1 . 1 97 97 LEU N N 15 115.339 0.400 . 1 . . . . . 94 LEU N . 50009 1 399 . 1 . 1 98 98 LEU H H 1 8.552 0.020 . 1 . . . . . 95 LEU H . 50009 1 400 . 1 . 1 98 98 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 95 LEU HD11 . 50009 1 401 . 1 . 1 98 98 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 95 LEU HD12 . 50009 1 402 . 1 . 1 98 98 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 95 LEU HD13 . 50009 1 403 . 1 . 1 98 98 LEU HD21 H 1 0.852 0.020 . 2 . . . . . 95 LEU HD21 . 50009 1 404 . 1 . 1 98 98 LEU HD22 H 1 0.852 0.020 . 2 . . . . . 95 LEU HD22 . 50009 1 405 . 1 . 1 98 98 LEU HD23 H 1 0.852 0.020 . 2 . . . . . 95 LEU HD23 . 50009 1 406 . 1 . 1 98 98 LEU C C 13 178.219 0.400 . 1 . . . . . 95 LEU C . 50009 1 407 . 1 . 1 98 98 LEU CA C 13 57.562 0.400 . 1 . . . . . 95 LEU CA . 50009 1 408 . 1 . 1 98 98 LEU CB C 13 40.475 0.400 . 1 . . . . . 95 LEU CB . 50009 1 409 . 1 . 1 98 98 LEU CD1 C 13 22.650 0.400 . 2 . . . . . 95 LEU CD1 . 50009 1 410 . 1 . 1 98 98 LEU CD2 C 13 21.404 0.400 . 2 . . . . . 95 LEU CD2 . 50009 1 411 . 1 . 1 98 98 LEU N N 15 120.737 0.400 . 1 . . . . . 95 LEU N . 50009 1 412 . 1 . 1 99 99 ASP H H 1 8.059 0.020 . 1 . . . . . 96 ASP H . 50009 1 413 . 1 . 1 99 99 ASP CA C 13 55.535 0.400 . 1 . . . . . 96 ASP CA . 50009 1 414 . 1 . 1 99 99 ASP CB C 13 37.221 0.400 . 1 . . . . . 96 ASP CB . 50009 1 415 . 1 . 1 99 99 ASP N N 15 117.809 0.400 . 1 . . . . . 96 ASP N . 50009 1 416 . 1 . 1 100 100 LEU H H 1 7.402 0.020 . 1 . . . . . 97 LEU H . 50009 1 417 . 1 . 1 100 100 LEU C C 13 177.563 0.400 . 1 . . . . . 97 LEU C . 50009 1 418 . 1 . 1 100 100 LEU CA C 13 57.786 0.400 . 1 . . . . . 97 LEU CA . 50009 1 419 . 1 . 1 100 100 LEU CB C 13 41.302 0.400 . 1 . . . . . 97 LEU CB . 50009 1 420 . 1 . 1 100 100 LEU N N 15 114.711 0.400 . 1 . . . . . 97 LEU N . 50009 1 421 . 1 . 1 101 101 ALA H H 1 8.901 0.020 . 1 . . . . . 98 ALA H . 50009 1 422 . 1 . 1 101 101 ALA HB1 H 1 1.376 0.020 . 1 . . . . . 98 ALA HB1 . 50009 1 423 . 1 . 1 101 101 ALA HB2 H 1 1.376 0.020 . 1 . . . . . 98 ALA HB2 . 50009 1 424 . 1 . 1 101 101 ALA HB3 H 1 1.376 0.020 . 1 . . . . . 98 ALA HB3 . 50009 1 425 . 1 . 1 101 101 ALA CA C 13 53.797 0.400 . 1 . . . . . 98 ALA CA . 50009 1 426 . 1 . 1 101 101 ALA CB C 13 17.781 0.400 . 1 . . . . . 98 ALA CB . 50009 1 427 . 1 . 1 101 101 ALA N N 15 119.232 0.400 . 1 . . . . . 98 ALA N . 50009 1 428 . 1 . 1 102 102 LEU H H 1 8.945 0.020 . 1 . . . . . 99 LEU H . 50009 1 429 . 1 . 1 102 102 LEU HD11 H 1 0.445 0.020 . 2 . . . . . 99 LEU HD11 . 50009 1 430 . 1 . 1 102 102 LEU HD12 H 1 0.445 0.020 . 2 . . . . . 99 LEU HD12 . 50009 1 431 . 1 . 1 102 102 LEU HD13 H 1 0.445 0.020 . 2 . . . . . 99 LEU HD13 . 50009 1 432 . 1 . 1 102 102 LEU HD21 H 1 0.570 0.020 . 2 . . . . . 99 LEU HD21 . 50009 1 433 . 1 . 1 102 102 LEU HD22 H 1 0.570 0.020 . 2 . . . . . 99 LEU HD22 . 50009 1 434 . 1 . 1 102 102 LEU HD23 H 1 0.570 0.020 . 2 . . . . . 99 LEU HD23 . 50009 1 435 . 1 . 1 102 102 LEU C C 13 180.787 0.400 . 1 . . . . . 99 LEU C . 50009 1 436 . 1 . 1 102 102 LEU CA C 13 56.763 0.400 . 1 . . . . . 99 LEU CA . 50009 1 437 . 1 . 1 102 102 LEU CB C 13 40.684 0.400 . 1 . . . . . 99 LEU CB . 50009 1 438 . 1 . 1 102 102 LEU CD1 C 13 23.894 0.400 . 2 . . . . . 99 LEU CD1 . 50009 1 439 . 1 . 1 102 102 LEU CD2 C 13 21.093 0.400 . 2 . . . . . 99 LEU CD2 . 50009 1 440 . 1 . 1 102 102 LEU N N 15 117.270 0.400 . 1 . . . . . 99 LEU N . 50009 1 441 . 1 . 1 103 103 LEU H H 1 7.728 0.020 . 1 . . . . . 100 LEU H . 50009 1 442 . 1 . 1 103 103 LEU HD11 H 1 0.553 0.020 . 2 . . . . . 100 LEU HD11 . 50009 1 443 . 1 . 1 103 103 LEU HD12 H 1 0.553 0.020 . 2 . . . . . 100 LEU HD12 . 50009 1 444 . 1 . 1 103 103 LEU HD13 H 1 0.553 0.020 . 2 . . . . . 100 LEU HD13 . 50009 1 445 . 1 . 1 103 103 LEU HD21 H 1 0.623 0.020 . 2 . . . . . 100 LEU HD21 . 50009 1 446 . 1 . 1 103 103 LEU HD22 H 1 0.623 0.020 . 2 . . . . . 100 LEU HD22 . 50009 1 447 . 1 . 1 103 103 LEU HD23 H 1 0.623 0.020 . 2 . . . . . 100 LEU HD23 . 50009 1 448 . 1 . 1 103 103 LEU C C 13 176.972 0.400 . 1 . . . . . 100 LEU C . 50009 1 449 . 1 . 1 103 103 LEU CA C 13 57.754 0.400 . 1 . . . . . 100 LEU CA . 50009 1 450 . 1 . 1 103 103 LEU CB C 13 41.447 0.400 . 1 . . . . . 100 LEU CB . 50009 1 451 . 1 . 1 103 103 LEU CD1 C 13 23.273 0.400 . 2 . . . . . 100 LEU CD1 . 50009 1 452 . 1 . 1 103 103 LEU CD2 C 13 24.441 0.400 . 2 . . . . . 100 LEU CD2 . 50009 1 453 . 1 . 1 103 103 LEU N N 15 120.538 0.400 . 1 . . . . . 100 LEU N . 50009 1 454 . 1 . 1 104 104 VAL H H 1 6.666 0.020 . 1 . . . . . 101 VAL H . 50009 1 455 . 1 . 1 104 104 VAL HG11 H 1 0.041 0.020 . 2 . . . . . 101 VAL HG11 . 50009 1 456 . 1 . 1 104 104 VAL HG12 H 1 0.041 0.020 . 2 . . . . . 101 VAL HG12 . 50009 1 457 . 1 . 1 104 104 VAL HG13 H 1 0.041 0.020 . 2 . . . . . 101 VAL HG13 . 50009 1 458 . 1 . 1 104 104 VAL HG21 H 1 -0.158 0.020 . 2 . . . . . 101 VAL HG21 . 50009 1 459 . 1 . 1 104 104 VAL HG22 H 1 -0.158 0.020 . 2 . . . . . 101 VAL HG22 . 50009 1 460 . 1 . 1 104 104 VAL HG23 H 1 -0.158 0.020 . 2 . . . . . 101 VAL HG23 . 50009 1 461 . 1 . 1 104 104 VAL CA C 13 59.137 0.400 . 1 . . . . . 101 VAL CA . 50009 1 462 . 1 . 1 104 104 VAL CB C 13 29.351 0.400 . 1 . . . . . 101 VAL CB . 50009 1 463 . 1 . 1 104 104 VAL CG1 C 13 19.769 0.400 . 2 . . . . . 101 VAL CG1 . 50009 1 464 . 1 . 1 104 104 VAL CG2 C 13 16.032 0.400 . 2 . . . . . 101 VAL CG2 . 50009 1 465 . 1 . 1 104 104 VAL N N 15 103.337 0.400 . 1 . . . . . 101 VAL N . 50009 1 466 . 1 . 1 105 105 ASP H H 1 7.528 0.020 . 1 . . . . . 102 ASP H . 50009 1 467 . 1 . 1 105 105 ASP C C 13 175.121 0.400 . 1 . . . . . 102 ASP C . 50009 1 468 . 1 . 1 105 105 ASP CA C 13 53.959 0.400 . 1 . . . . . 102 ASP CA . 50009 1 469 . 1 . 1 105 105 ASP CB C 13 38.387 0.400 . 1 . . . . . 102 ASP CB . 50009 1 470 . 1 . 1 105 105 ASP N N 15 119.682 0.400 . 1 . . . . . 102 ASP N . 50009 1 471 . 1 . 1 106 106 ALA H H 1 7.891 0.020 . 1 . . . . . 103 ALA H . 50009 1 472 . 1 . 1 106 106 ALA HB1 H 1 0.951 0.020 . 1 . . . . . 103 ALA HB1 . 50009 1 473 . 1 . 1 106 106 ALA HB2 H 1 0.951 0.020 . 1 . . . . . 103 ALA HB2 . 50009 1 474 . 1 . 1 106 106 ALA HB3 H 1 0.951 0.020 . 1 . . . . . 103 ALA HB3 . 50009 1 475 . 1 . 1 106 106 ALA C C 13 176.325 0.400 . 1 . . . . . 103 ALA C . 50009 1 476 . 1 . 1 106 106 ALA CA C 13 51.740 0.400 . 1 . . . . . 103 ALA CA . 50009 1 477 . 1 . 1 106 106 ALA CB C 13 18.585 0.400 . 1 . . . . . 103 ALA CB . 50009 1 478 . 1 . 1 106 106 ALA N N 15 118.712 0.400 . 1 . . . . . 103 ALA N . 50009 1 479 . 1 . 1 107 107 ASP H H 1 7.962 0.020 . 1 . . . . . 104 ASP H . 50009 1 480 . 1 . 1 107 107 ASP C C 13 176.296 0.400 . 1 . . . . . 104 ASP C . 50009 1 481 . 1 . 1 107 107 ASP CA C 13 52.898 0.400 . 1 . . . . . 104 ASP CA . 50009 1 482 . 1 . 1 107 107 ASP CB C 13 41.447 0.400 . 1 . . . . . 104 ASP CB . 50009 1 483 . 1 . 1 107 107 ASP N N 15 116.849 0.400 . 1 . . . . . 104 ASP N . 50009 1 484 . 1 . 1 108 108 GLN H H 1 8.666 0.020 . 1 . . . . . 105 GLN H . 50009 1 485 . 1 . 1 108 108 GLN C C 13 177.689 0.400 . 1 . . . . . 105 GLN C . 50009 1 486 . 1 . 1 108 108 GLN CA C 13 59.415 0.400 . 1 . . . . . 105 GLN CA . 50009 1 487 . 1 . 1 108 108 GLN CB C 13 28.185 0.400 . 1 . . . . . 105 GLN CB . 50009 1 488 . 1 . 1 108 108 GLN N N 15 119.566 0.400 . 1 . . . . . 105 GLN N . 50009 1 489 . 1 . 1 109 109 GLY H H 1 8.618 0.020 . 1 . . . . . 106 GLY H . 50009 1 490 . 1 . 1 109 109 GLY C C 13 175.956 0.400 . 1 . . . . . 106 GLY C . 50009 1 491 . 1 . 1 109 109 GLY CA C 13 47.099 0.400 . 1 . . . . . 106 GLY CA . 50009 1 492 . 1 . 1 109 109 GLY N N 15 106.519 0.400 . 1 . . . . . 106 GLY N . 50009 1 493 . 1 . 1 110 110 THR H H 1 7.659 0.020 . 1 . . . . . 107 THR H . 50009 1 494 . 1 . 1 110 110 THR CA C 13 66.181 0.400 . 1 . . . . . 107 THR CA . 50009 1 495 . 1 . 1 110 110 THR CB C 13 67.209 0.400 . 1 . . . . . 107 THR CB . 50009 1 496 . 1 . 1 110 110 THR N N 15 119.000 0.400 . 1 . . . . . 107 THR N . 50009 1 497 . 1 . 1 111 111 ILE H H 1 7.827 0.020 . 1 . . . . . 108 ILE H . 50009 1 498 . 1 . 1 111 111 ILE HD11 H 1 0.652 0.020 . 1 . . . . . 108 ILE HD11 . 50009 1 499 . 1 . 1 111 111 ILE HD12 H 1 0.652 0.020 . 1 . . . . . 108 ILE HD12 . 50009 1 500 . 1 . 1 111 111 ILE HD13 H 1 0.652 0.020 . 1 . . . . . 108 ILE HD13 . 50009 1 501 . 1 . 1 111 111 ILE CA C 13 66.228 0.400 . 1 . . . . . 108 ILE CA . 50009 1 502 . 1 . 1 111 111 ILE CB C 13 36.461 0.400 . 1 . . . . . 108 ILE CB . 50009 1 503 . 1 . 1 111 111 ILE CD1 C 13 11.827 0.400 . 1 . . . . . 108 ILE CD1 . 50009 1 504 . 1 . 1 111 111 ILE N N 15 120.060 0.400 . 1 . . . . . 108 ILE N . 50009 1 505 . 1 . 1 112 112 LEU H H 1 8.319 0.020 . 1 . . . . . 109 LEU H . 50009 1 506 . 1 . 1 112 112 LEU HD11 H 1 0.876 0.020 . 2 . . . . . 109 LEU HD11 . 50009 1 507 . 1 . 1 112 112 LEU HD12 H 1 0.876 0.020 . 2 . . . . . 109 LEU HD12 . 50009 1 508 . 1 . 1 112 112 LEU HD13 H 1 0.876 0.020 . 2 . . . . . 109 LEU HD13 . 50009 1 509 . 1 . 1 112 112 LEU C C 13 178.364 0.400 . 1 . . . . . 109 LEU C . 50009 1 510 . 1 . 1 112 112 LEU CA C 13 57.851 0.400 . 1 . . . . . 109 LEU CA . 50009 1 511 . 1 . 1 112 112 LEU CB C 13 40.427 0.400 . 1 . . . . . 109 LEU CB . 50009 1 512 . 1 . 1 112 112 LEU CD1 C 13 24.130 0.400 . 2 . . . . . 109 LEU CD1 . 50009 1 513 . 1 . 1 112 112 LEU N N 15 118.101 0.400 . 1 . . . . . 109 LEU N . 50009 1 514 . 1 . 1 113 113 ALA H H 1 7.856 0.020 . 1 . . . . . 110 ALA H . 50009 1 515 . 1 . 1 113 113 ALA HB1 H 1 1.643 0.020 . 1 . . . . . 110 ALA HB1 . 50009 1 516 . 1 . 1 113 113 ALA HB2 H 1 1.643 0.020 . 1 . . . . . 110 ALA HB2 . 50009 1 517 . 1 . 1 113 113 ALA HB3 H 1 1.643 0.020 . 1 . . . . . 110 ALA HB3 . 50009 1 518 . 1 . 1 113 113 ALA CA C 13 55.196 0.400 . 1 . . . . . 110 ALA CA . 50009 1 519 . 1 . 1 113 113 ALA CB C 13 17.229 0.400 . 1 . . . . . 110 ALA CB . 50009 1 520 . 1 . 1 113 113 ALA N N 15 120.370 0.400 . 1 . . . . . 110 ALA N . 50009 1 521 . 1 . 1 114 114 LEU H H 1 8.087 0.020 . 1 . . . . . 111 LEU H . 50009 1 522 . 1 . 1 114 114 LEU C C 13 179.105 0.400 . 1 . . . . . 111 LEU C . 50009 1 523 . 1 . 1 114 114 LEU CA C 13 57.688 0.400 . 1 . . . . . 111 LEU CA . 50009 1 524 . 1 . 1 114 114 LEU CB C 13 41.588 0.400 . 1 . . . . . 111 LEU CB . 50009 1 525 . 1 . 1 114 114 LEU N N 15 116.430 0.400 . 1 . . . . . 111 LEU N . 50009 1 526 . 1 . 1 115 115 VAL H H 1 8.702 0.020 . 1 . . . . . 112 VAL H . 50009 1 527 . 1 . 1 115 115 VAL HG11 H 1 0.940 0.020 . 2 . . . . . 112 VAL HG11 . 50009 1 528 . 1 . 1 115 115 VAL HG12 H 1 0.940 0.020 . 2 . . . . . 112 VAL HG12 . 50009 1 529 . 1 . 1 115 115 VAL HG13 H 1 0.940 0.020 . 2 . . . . . 112 VAL HG13 . 50009 1 530 . 1 . 1 115 115 VAL HG21 H 1 1.064 0.020 . 2 . . . . . 112 VAL HG21 . 50009 1 531 . 1 . 1 115 115 VAL HG22 H 1 1.064 0.020 . 2 . . . . . 112 VAL HG22 . 50009 1 532 . 1 . 1 115 115 VAL HG23 H 1 1.064 0.020 . 2 . . . . . 112 VAL HG23 . 50009 1 533 . 1 . 1 115 115 VAL C C 13 178.219 0.400 . 1 . . . . . 112 VAL C . 50009 1 534 . 1 . 1 115 115 VAL CA C 13 66.465 0.400 . 1 . . . . . 112 VAL CA . 50009 1 535 . 1 . 1 115 115 VAL CB C 13 30.177 0.400 . 1 . . . . . 112 VAL CB . 50009 1 536 . 1 . 1 115 115 VAL CG1 C 13 20.446 0.400 . 2 . . . . . 112 VAL CG1 . 50009 1 537 . 1 . 1 115 115 VAL CG2 C 13 21.093 0.400 . 2 . . . . . 112 VAL CG2 . 50009 1 538 . 1 . 1 115 115 VAL N N 15 116.734 0.400 . 1 . . . . . 112 VAL N . 50009 1 539 . 1 . 1 116 116 GLY H H 1 8.755 0.020 . 1 . . . . . 113 GLY H . 50009 1 540 . 1 . 1 116 116 GLY C C 13 174.592 0.400 . 1 . . . . . 113 GLY C . 50009 1 541 . 1 . 1 116 116 GLY CA C 13 47.201 0.400 . 1 . . . . . 113 GLY CA . 50009 1 542 . 1 . 1 116 116 GLY N N 15 108.074 0.400 . 1 . . . . . 113 GLY N . 50009 1 543 . 1 . 1 117 117 ALA H H 1 8.536 0.020 . 1 . . . . . 114 ALA H . 50009 1 544 . 1 . 1 117 117 ALA HB1 H 1 1.648 0.020 . 1 . . . . . 114 ALA HB1 . 50009 1 545 . 1 . 1 117 117 ALA HB2 H 1 1.648 0.020 . 1 . . . . . 114 ALA HB2 . 50009 1 546 . 1 . 1 117 117 ALA HB3 H 1 1.648 0.020 . 1 . . . . . 114 ALA HB3 . 50009 1 547 . 1 . 1 117 117 ALA C C 13 178.781 0.400 . 1 . . . . . 114 ALA C . 50009 1 548 . 1 . 1 117 117 ALA CA C 13 55.181 0.400 . 1 . . . . . 114 ALA CA . 50009 1 549 . 1 . 1 117 117 ALA CB C 13 17.443 0.400 . 1 . . . . . 114 ALA CB . 50009 1 550 . 1 . 1 117 117 ALA N N 15 122.720 0.400 . 1 . . . . . 114 ALA N . 50009 1 551 . 1 . 1 118 118 ASP H H 1 8.502 0.020 . 1 . . . . . 115 ASP H . 50009 1 552 . 1 . 1 118 118 ASP CA C 13 56.403 0.400 . 1 . . . . . 115 ASP CA . 50009 1 553 . 1 . 1 118 118 ASP CB C 13 38.039 0.400 . 1 . . . . . 115 ASP CB . 50009 1 554 . 1 . 1 118 118 ASP N N 15 118.525 0.400 . 1 . . . . . 115 ASP N . 50009 1 555 . 1 . 1 119 119 GLY H H 1 8.719 0.020 . 1 . . . . . 116 GLY H . 50009 1 556 . 1 . 1 119 119 GLY C C 13 176.004 0.400 . 1 . . . . . 116 GLY C . 50009 1 557 . 1 . 1 119 119 GLY CA C 13 46.929 0.400 . 1 . . . . . 116 GLY CA . 50009 1 558 . 1 . 1 119 119 GLY N N 15 106.286 0.400 . 1 . . . . . 116 GLY N . 50009 1 559 . 1 . 1 120 120 ILE H H 1 7.969 0.020 . 1 . . . . . 117 ILE H . 50009 1 560 . 1 . 1 120 120 ILE HD11 H 1 0.670 0.020 . 1 . . . . . 117 ILE HD11 . 50009 1 561 . 1 . 1 120 120 ILE HD12 H 1 0.670 0.020 . 1 . . . . . 117 ILE HD12 . 50009 1 562 . 1 . 1 120 120 ILE HD13 H 1 0.670 0.020 . 1 . . . . . 117 ILE HD13 . 50009 1 563 . 1 . 1 120 120 ILE CA C 13 64.774 0.400 . 1 . . . . . 117 ILE CA . 50009 1 564 . 1 . 1 120 120 ILE CD1 C 13 11.438 0.400 . 1 . . . . . 117 ILE CD1 . 50009 1 565 . 1 . 1 120 120 ILE N N 15 120.289 0.400 . 1 . . . . . 117 ILE N . 50009 1 566 . 1 . 1 121 121 MET H H 1 8.750 0.020 . 1 . . . . . 118 MET H . 50009 1 567 . 1 . 1 121 121 MET HE1 H 1 1.601 0.020 . 1 . . . . . 118 MET HE1 . 50009 1 568 . 1 . 1 121 121 MET HE2 H 1 1.601 0.020 . 1 . . . . . 118 MET HE2 . 50009 1 569 . 1 . 1 121 121 MET HE3 H 1 1.601 0.020 . 1 . . . . . 118 MET HE3 . 50009 1 570 . 1 . 1 121 121 MET C C 13 178.316 0.400 . 1 . . . . . 118 MET C . 50009 1 571 . 1 . 1 121 121 MET CA C 13 58.880 0.400 . 1 . . . . . 118 MET CA . 50009 1 572 . 1 . 1 121 121 MET CB C 13 33.213 0.400 . 1 . . . . . 118 MET CB . 50009 1 573 . 1 . 1 121 121 MET CE C 13 15.161 0.400 . 1 . . . . . 118 MET CE . 50009 1 574 . 1 . 1 121 121 MET N N 15 124.417 0.400 . 1 . . . . . 118 MET N . 50009 1 575 . 1 . 1 122 122 ILE H H 1 8.412 0.020 . 1 . . . . . 119 ILE H . 50009 1 576 . 1 . 1 122 122 ILE HD11 H 1 0.341 0.020 . 1 . . . . . 119 ILE HD11 . 50009 1 577 . 1 . 1 122 122 ILE HD12 H 1 0.341 0.020 . 1 . . . . . 119 ILE HD12 . 50009 1 578 . 1 . 1 122 122 ILE HD13 H 1 0.341 0.020 . 1 . . . . . 119 ILE HD13 . 50009 1 579 . 1 . 1 122 122 ILE CA C 13 61.453 0.400 . 1 . . . . . 119 ILE CA . 50009 1 580 . 1 . 1 122 122 ILE CB C 13 33.583 0.400 . 1 . . . . . 119 ILE CB . 50009 1 581 . 1 . 1 122 122 ILE CD1 C 13 9.024 0.400 . 1 . . . . . 119 ILE CD1 . 50009 1 582 . 1 . 1 122 122 ILE N N 15 117.157 0.400 . 1 . . . . . 119 ILE N . 50009 1 583 . 1 . 1 123 123 GLY H H 1 8.880 0.020 . 1 . . . . . 120 GLY H . 50009 1 584 . 1 . 1 123 123 GLY C C 13 175.041 0.400 . 1 . . . . . 120 GLY C . 50009 1 585 . 1 . 1 123 123 GLY CA C 13 47.269 0.400 . 1 . . . . . 120 GLY CA . 50009 1 586 . 1 . 1 123 123 GLY N N 15 106.095 0.400 . 1 . . . . . 120 GLY N . 50009 1 587 . 1 . 1 124 124 THR H H 1 8.526 0.020 . 1 . . . . . 121 THR H . 50009 1 588 . 1 . 1 124 124 THR CA C 13 65.537 0.400 . 1 . . . . . 121 THR CA . 50009 1 589 . 1 . 1 124 124 THR CB C 13 67.820 0.400 . 1 . . . . . 121 THR CB . 50009 1 590 . 1 . 1 124 124 THR N N 15 109.532 0.400 . 1 . . . . . 121 THR N . 50009 1 591 . 1 . 1 139 139 VAL HG11 H 1 0.435 0.020 . 2 . . . . . 136 VAL HG11 . 50009 1 592 . 1 . 1 139 139 VAL HG12 H 1 0.435 0.020 . 2 . . . . . 136 VAL HG12 . 50009 1 593 . 1 . 1 139 139 VAL HG13 H 1 0.435 0.020 . 2 . . . . . 136 VAL HG13 . 50009 1 594 . 1 . 1 139 139 VAL CG1 C 13 19.769 0.400 . 2 . . . . . 136 VAL CG1 . 50009 1 595 . 1 . 1 143 143 ILE HD11 H 1 0.459 0.020 . 1 . . . . . 140 ILE HD11 . 50009 1 596 . 1 . 1 143 143 ILE HD12 H 1 0.459 0.020 . 1 . . . . . 140 ILE HD12 . 50009 1 597 . 1 . 1 143 143 ILE HD13 H 1 0.459 0.020 . 1 . . . . . 140 ILE HD13 . 50009 1 598 . 1 . 1 143 143 ILE CD1 C 13 12.372 0.400 . 1 . . . . . 140 ILE CD1 . 50009 1 599 . 1 . 1 148 148 MET HE1 H 1 1.901 0.020 . 1 . . . . . 145 MET HE1 . 50009 1 600 . 1 . 1 148 148 MET HE2 H 1 1.901 0.020 . 1 . . . . . 145 MET HE2 . 50009 1 601 . 1 . 1 148 148 MET HE3 H 1 1.901 0.020 . 1 . . . . . 145 MET HE3 . 50009 1 602 . 1 . 1 148 148 MET CE C 13 17.728 0.400 . 1 . . . . . 145 MET CE . 50009 1 603 . 1 . 1 151 151 ILE HD11 H 1 0.999 0.020 . 1 . . . . . 148 ILE HD11 . 50009 1 604 . 1 . 1 151 151 ILE HD12 H 1 0.999 0.020 . 1 . . . . . 148 ILE HD12 . 50009 1 605 . 1 . 1 151 151 ILE HD13 H 1 0.999 0.020 . 1 . . . . . 148 ILE HD13 . 50009 1 606 . 1 . 1 151 151 ILE CD1 C 13 12.683 0.400 . 1 . . . . . 148 ILE CD1 . 50009 1 607 . 1 . 1 154 154 VAL HG11 H 1 0.952 0.020 . 2 . . . . . 151 VAL HG11 . 50009 1 608 . 1 . 1 154 154 VAL HG12 H 1 0.952 0.020 . 2 . . . . . 151 VAL HG12 . 50009 1 609 . 1 . 1 154 154 VAL HG13 H 1 0.952 0.020 . 2 . . . . . 151 VAL HG13 . 50009 1 610 . 1 . 1 154 154 VAL CG1 C 13 20.548 0.400 . 2 . . . . . 151 VAL CG1 . 50009 1 611 . 1 . 1 155 155 LEU H H 1 8.112 0.020 . 1 . . . . . 152 LEU H . 50009 1 612 . 1 . 1 155 155 LEU C C 13 177.957 0.400 . 1 . . . . . 152 LEU C . 50009 1 613 . 1 . 1 155 155 LEU CA C 13 57.643 0.400 . 1 . . . . . 152 LEU CA . 50009 1 614 . 1 . 1 155 155 LEU CB C 13 41.812 0.400 . 1 . . . . . 152 LEU CB . 50009 1 615 . 1 . 1 155 155 LEU N N 15 116.533 0.400 . 1 . . . . . 152 LEU N . 50009 1 616 . 1 . 1 156 156 PHE H H 1 8.656 0.020 . 1 . . . . . 153 PHE H . 50009 1 617 . 1 . 1 156 156 PHE CA C 13 61.405 0.400 . 1 . . . . . 153 PHE CA . 50009 1 618 . 1 . 1 156 156 PHE CB C 13 39.540 0.400 . 1 . . . . . 153 PHE CB . 50009 1 619 . 1 . 1 156 156 PHE N N 15 115.328 0.400 . 1 . . . . . 153 PHE N . 50009 1 620 . 1 . 1 157 157 PHE H H 1 8.607 0.020 . 1 . . . . . 154 PHE H . 50009 1 621 . 1 . 1 157 157 PHE C C 13 177.139 0.400 . 1 . . . . . 154 PHE C . 50009 1 622 . 1 . 1 157 157 PHE CA C 13 59.625 0.400 . 1 . . . . . 154 PHE CA . 50009 1 623 . 1 . 1 157 157 PHE CB C 13 37.439 0.400 . 1 . . . . . 154 PHE CB . 50009 1 624 . 1 . 1 157 157 PHE N N 15 117.187 0.400 . 1 . . . . . 154 PHE N . 50009 1 625 . 1 . 1 158 158 GLY H H 1 7.887 0.020 . 1 . . . . . 155 GLY H . 50009 1 626 . 1 . 1 158 158 GLY C C 13 176.928 0.400 . 1 . . . . . 155 GLY C . 50009 1 627 . 1 . 1 158 158 GLY CA C 13 47.099 0.400 . 1 . . . . . 155 GLY CA . 50009 1 628 . 1 . 1 158 158 GLY N N 15 110.448 0.400 . 1 . . . . . 155 GLY N . 50009 1 629 . 1 . 1 159 159 PHE H H 1 8.842 0.020 . 1 . . . . . 156 PHE H . 50009 1 630 . 1 . 1 159 159 PHE C C 13 177.930 0.400 . 1 . . . . . 156 PHE C . 50009 1 631 . 1 . 1 159 159 PHE CA C 13 57.461 0.400 . 1 . . . . . 156 PHE CA . 50009 1 632 . 1 . 1 159 159 PHE CB C 13 36.091 0.400 . 1 . . . . . 156 PHE CB . 50009 1 633 . 1 . 1 159 159 PHE N N 15 120.385 0.400 . 1 . . . . . 156 PHE N . 50009 1 634 . 1 . 1 160 160 THR H H 1 6.782 0.020 . 1 . . . . . 157 THR H . 50009 1 635 . 1 . 1 160 160 THR CA C 13 67.113 0.400 . 1 . . . . . 157 THR CA . 50009 1 636 . 1 . 1 160 160 THR CB C 13 67.820 0.400 . 1 . . . . . 157 THR CB . 50009 1 637 . 1 . 1 160 160 THR N N 15 115.180 0.400 . 1 . . . . . 157 THR N . 50009 1 638 . 1 . 1 161 161 SER H H 1 7.522 0.020 . 1 . . . . . 158 SER H . 50009 1 639 . 1 . 1 161 161 SER CA C 13 60.881 0.400 . 1 . . . . . 158 SER CA . 50009 1 640 . 1 . 1 161 161 SER CB C 13 61.778 0.400 . 1 . . . . . 158 SER CB . 50009 1 641 . 1 . 1 161 161 SER N N 15 114.474 0.400 . 1 . . . . . 158 SER N . 50009 1 642 . 1 . 1 162 162 LYS H H 1 7.124 0.020 . 1 . . . . . 159 LYS H . 50009 1 643 . 1 . 1 162 162 LYS C C 13 178.845 0.400 . 1 . . . . . 159 LYS C . 50009 1 644 . 1 . 1 162 162 LYS CA C 13 57.851 0.400 . 1 . . . . . 159 LYS CA . 50009 1 645 . 1 . 1 162 162 LYS CB C 13 31.012 0.400 . 1 . . . . . 159 LYS CB . 50009 1 646 . 1 . 1 162 162 LYS N N 15 120.562 0.400 . 1 . . . . . 159 LYS N . 50009 1 647 . 1 . 1 163 163 ALA H H 1 8.081 0.020 . 1 . . . . . 160 ALA H . 50009 1 648 . 1 . 1 163 163 ALA HB1 H 1 1.099 0.020 . 1 . . . . . 160 ALA HB1 . 50009 1 649 . 1 . 1 163 163 ALA HB2 H 1 1.099 0.020 . 1 . . . . . 160 ALA HB2 . 50009 1 650 . 1 . 1 163 163 ALA HB3 H 1 1.099 0.020 . 1 . . . . . 160 ALA HB3 . 50009 1 651 . 1 . 1 163 163 ALA C C 13 179.127 0.400 . 1 . . . . . 160 ALA C . 50009 1 652 . 1 . 1 163 163 ALA CA C 13 54.441 0.400 . 1 . . . . . 160 ALA CA . 50009 1 653 . 1 . 1 163 163 ALA CB C 13 17.229 0.400 . 1 . . . . . 160 ALA CB . 50009 1 654 . 1 . 1 163 163 ALA N N 15 121.402 0.400 . 1 . . . . . 160 ALA N . 50009 1 655 . 1 . 1 164 164 GLU H H 1 7.757 0.020 . 1 . . . . . 161 GLU H . 50009 1 656 . 1 . 1 164 164 GLU C C 13 177.433 0.400 . 1 . . . . . 161 GLU C . 50009 1 657 . 1 . 1 164 164 GLU CA C 13 57.950 0.400 . 1 . . . . . 161 GLU CA . 50009 1 658 . 1 . 1 164 164 GLU CB C 13 28.622 0.400 . 1 . . . . . 161 GLU CB . 50009 1 659 . 1 . 1 164 164 GLU N N 15 112.887 0.400 . 1 . . . . . 161 GLU N . 50009 1 660 . 1 . 1 165 165 SER H H 1 7.414 0.020 . 1 . . . . . 162 SER H . 50009 1 661 . 1 . 1 165 165 SER C C 13 174.190 0.400 . 1 . . . . . 162 SER C . 50009 1 662 . 1 . 1 165 165 SER CA C 13 58.011 0.400 . 1 . . . . . 162 SER CA . 50009 1 663 . 1 . 1 165 165 SER CB C 13 63.367 0.400 . 1 . . . . . 162 SER CB . 50009 1 664 . 1 . 1 165 165 SER N N 15 112.256 0.400 . 1 . . . . . 162 SER N . 50009 1 665 . 1 . 1 166 166 MET H H 1 7.353 0.020 . 1 . . . . . 163 MET H . 50009 1 666 . 1 . 1 166 166 MET HE1 H 1 2.007 0.020 . 1 . . . . . 163 MET HE1 . 50009 1 667 . 1 . 1 166 166 MET HE2 H 1 2.007 0.020 . 1 . . . . . 163 MET HE2 . 50009 1 668 . 1 . 1 166 166 MET HE3 H 1 2.007 0.020 . 1 . . . . . 163 MET HE3 . 50009 1 669 . 1 . 1 166 166 MET C C 13 174.784 0.400 . 1 . . . . . 163 MET C . 50009 1 670 . 1 . 1 166 166 MET CA C 13 54.538 0.400 . 1 . . . . . 163 MET CA . 50009 1 671 . 1 . 1 166 166 MET CB C 13 33.140 0.400 . 1 . . . . . 163 MET CB . 50009 1 672 . 1 . 1 166 166 MET CE C 13 16.424 0.400 . 1 . . . . . 163 MET CE . 50009 1 673 . 1 . 1 166 166 MET N N 15 121.665 0.400 . 1 . . . . . 163 MET N . 50009 1 674 . 1 . 1 167 167 ARG H H 1 8.058 0.020 . 1 . . . . . 164 ARG H . 50009 1 675 . 1 . 1 167 167 ARG C C 13 175.426 0.400 . 1 . . . . . 164 ARG C . 50009 1 676 . 1 . 1 167 167 ARG CA C 13 54.608 0.400 . 1 . . . . . 164 ARG CA . 50009 1 677 . 1 . 1 167 167 ARG CB C 13 27.950 0.400 . 1 . . . . . 164 ARG CB . 50009 1 678 . 1 . 1 167 167 ARG N N 15 118.085 0.400 . 1 . . . . . 164 ARG N . 50009 1 679 . 1 . 1 168 168 PRO C C 13 178.696 0.400 . 1 . . . . . 165 PRO C . 50009 1 680 . 1 . 1 168 168 PRO CA C 13 65.592 0.400 . 1 . . . . . 165 PRO C . 50009 1 681 . 1 . 1 168 168 PRO CB C 13 30.806 0.400 . 1 . . . . . 165 PRO C . 50009 1 682 . 1 . 1 169 169 GLU H H 1 9.828 0.020 . 1 . . . . . 166 GLU H . 50009 1 683 . 1 . 1 169 169 GLU C C 13 179.455 0.400 . 1 . . . . . 166 GLU C . 50009 1 684 . 1 . 1 169 169 GLU CA C 13 59.085 0.400 . 1 . . . . . 166 GLU CA . 50009 1 685 . 1 . 1 169 169 GLU CB C 13 27.450 0.400 . 1 . . . . . 166 GLU CB . 50009 1 686 . 1 . 1 169 169 GLU N N 15 116.318 0.400 . 1 . . . . . 166 GLU N . 50009 1 687 . 1 . 1 170 170 VAL H H 1 7.482 0.020 . 1 . . . . . 167 VAL H . 50009 1 688 . 1 . 1 170 170 VAL HG11 H 1 0.873 0.020 . 2 . . . . . 167 VAL HG11 . 50009 1 689 . 1 . 1 170 170 VAL HG12 H 1 0.873 0.020 . 2 . . . . . 167 VAL HG12 . 50009 1 690 . 1 . 1 170 170 VAL HG13 H 1 0.873 0.020 . 2 . . . . . 167 VAL HG13 . 50009 1 691 . 1 . 1 170 170 VAL HG21 H 1 1.052 0.020 . 2 . . . . . 167 VAL HG21 . 50009 1 692 . 1 . 1 170 170 VAL HG22 H 1 1.052 0.020 . 2 . . . . . 167 VAL HG22 . 50009 1 693 . 1 . 1 170 170 VAL HG23 H 1 1.052 0.020 . 2 . . . . . 167 VAL HG23 . 50009 1 694 . 1 . 1 170 170 VAL C C 13 176.726 0.400 . 1 . . . . . 167 VAL C . 50009 1 695 . 1 . 1 170 170 VAL CA C 13 65.730 0.400 . 1 . . . . . 167 VAL CA . 50009 1 696 . 1 . 1 170 170 VAL CB C 13 30.437 0.400 . 1 . . . . . 167 VAL CB . 50009 1 697 . 1 . 1 170 170 VAL CG1 C 13 20.169 0.400 . 2 . . . . . 167 VAL CG1 . 50009 1 698 . 1 . 1 170 170 VAL CG2 C 13 21.638 0.400 . 2 . . . . . 167 VAL CG2 . 50009 1 699 . 1 . 1 170 170 VAL N N 15 120.397 0.400 . 1 . . . . . 167 VAL N . 50009 1 700 . 1 . 1 171 171 ALA H H 1 7.678 0.020 . 1 . . . . . 168 ALA H . 50009 1 701 . 1 . 1 171 171 ALA HB1 H 1 1.389 0.020 . 1 . . . . . 168 ALA HB1 . 50009 1 702 . 1 . 1 171 171 ALA HB2 H 1 1.389 0.020 . 1 . . . . . 168 ALA HB2 . 50009 1 703 . 1 . 1 171 171 ALA HB3 H 1 1.389 0.020 . 1 . . . . . 168 ALA HB3 . 50009 1 704 . 1 . 1 171 171 ALA C C 13 179.909 0.400 . 1 . . . . . 168 ALA C . 50009 1 705 . 1 . 1 171 171 ALA CA C 13 55.857 0.400 . 1 . . . . . 168 ALA CA . 50009 1 706 . 1 . 1 171 171 ALA CB C 13 17.145 0.400 . 1 . . . . . 168 ALA CB . 50009 1 707 . 1 . 1 171 171 ALA N N 15 121.506 0.400 . 1 . . . . . 168 ALA N . 50009 1 708 . 1 . 1 172 172 SER H H 1 8.429 0.020 . 1 . . . . . 169 SER H . 50009 1 709 . 1 . 1 172 172 SER CA C 13 61.160 0.400 . 1 . . . . . 169 SER CA . 50009 1 710 . 1 . 1 172 172 SER CB C 13 62.041 0.400 . 1 . . . . . 169 SER CB . 50009 1 711 . 1 . 1 172 172 SER N N 15 110.955 0.400 . 1 . . . . . 169 SER N . 50009 1 712 . 1 . 1 173 173 THR H H 1 7.387 0.020 . 1 . . . . . 170 THR H . 50009 1 713 . 1 . 1 173 173 THR CA C 13 66.567 0.400 . 1 . . . . . 170 THR CA . 50009 1 714 . 1 . 1 173 173 THR CB C 13 67.972 0.400 . 1 . . . . . 170 THR CB . 50009 1 715 . 1 . 1 173 173 THR N N 15 118.550 0.400 . 1 . . . . . 170 THR N . 50009 1 716 . 1 . 1 174 174 PHE H H 1 8.992 0.020 . 1 . . . . . 171 PHE H . 50009 1 717 . 1 . 1 174 174 PHE C C 13 175.442 0.400 . 1 . . . . . 171 PHE C . 50009 1 718 . 1 . 1 174 174 PHE CA C 13 62.417 0.400 . 1 . . . . . 171 PHE CA . 50009 1 719 . 1 . 1 174 174 PHE CB C 13 37.622 0.400 . 1 . . . . . 171 PHE CB . 50009 1 720 . 1 . 1 174 174 PHE N N 15 119.391 0.400 . 1 . . . . . 171 PHE N . 50009 1 721 . 1 . 1 175 175 LYS H H 1 7.846 0.020 . 1 . . . . . 172 LYS H . 50009 1 722 . 1 . 1 175 175 LYS C C 13 177.770 0.400 . 1 . . . . . 172 LYS C . 50009 1 723 . 1 . 1 175 175 LYS CA C 13 60.842 0.400 . 1 . . . . . 172 LYS CA . 50009 1 724 . 1 . 1 175 175 LYS CB C 13 30.808 0.400 . 1 . . . . . 172 LYS CB . 50009 1 725 . 1 . 1 175 175 LYS N N 15 117.338 0.400 . 1 . . . . . 172 LYS N . 50009 1 726 . 1 . 1 176 176 VAL H H 1 7.086 0.020 . 1 . . . . . 173 VAL H . 50009 1 727 . 1 . 1 176 176 VAL HG11 H 1 0.828 0.020 . 2 . . . . . 173 VAL HG11 . 50009 1 728 . 1 . 1 176 176 VAL HG12 H 1 0.828 0.020 . 2 . . . . . 173 VAL HG12 . 50009 1 729 . 1 . 1 176 176 VAL HG13 H 1 0.828 0.020 . 2 . . . . . 173 VAL HG13 . 50009 1 730 . 1 . 1 176 176 VAL HG21 H 1 0.970 0.020 . 2 . . . . . 173 VAL HG21 . 50009 1 731 . 1 . 1 176 176 VAL HG22 H 1 0.970 0.020 . 2 . . . . . 173 VAL HG22 . 50009 1 732 . 1 . 1 176 176 VAL HG23 H 1 0.970 0.020 . 2 . . . . . 173 VAL HG23 . 50009 1 733 . 1 . 1 176 176 VAL C C 13 177.803 0.400 . 1 . . . . . 173 VAL C . 50009 1 734 . 1 . 1 176 176 VAL CA C 13 66.268 0.400 . 1 . . . . . 173 VAL CA . 50009 1 735 . 1 . 1 176 176 VAL CB C 13 30.663 0.400 . 1 . . . . . 173 VAL CB . 50009 1 736 . 1 . 1 176 176 VAL CG1 C 13 20.435 0.400 . 2 . . . . . 173 VAL CG1 . 50009 1 737 . 1 . 1 176 176 VAL CG2 C 13 21.326 0.400 . 2 . . . . . 173 VAL CG2 . 50009 1 738 . 1 . 1 176 176 VAL N N 15 115.911 0.400 . 1 . . . . . 173 VAL N . 50009 1 739 . 1 . 1 177 177 LEU H H 1 7.698 0.020 . 1 . . . . . 174 LEU H . 50009 1 740 . 1 . 1 177 177 LEU HD11 H 1 0.241 0.020 . 2 . . . . . 174 LEU HD11 . 50009 1 741 . 1 . 1 177 177 LEU HD12 H 1 0.241 0.020 . 2 . . . . . 174 LEU HD12 . 50009 1 742 . 1 . 1 177 177 LEU HD13 H 1 0.241 0.020 . 2 . . . . . 174 LEU HD13 . 50009 1 743 . 1 . 1 177 177 LEU HD21 H 1 0.006 0.020 . 2 . . . . . 174 LEU HD21 . 50009 1 744 . 1 . 1 177 177 LEU HD22 H 1 0.006 0.020 . 2 . . . . . 174 LEU HD22 . 50009 1 745 . 1 . 1 177 177 LEU HD23 H 1 0.006 0.020 . 2 . . . . . 174 LEU HD23 . 50009 1 746 . 1 . 1 177 177 LEU C C 13 179.985 0.400 . 1 . . . . . 174 LEU C . 50009 1 747 . 1 . 1 177 177 LEU CA C 13 57.047 0.400 . 1 . . . . . 174 LEU CA . 50009 1 748 . 1 . 1 177 177 LEU CB C 13 40.684 0.400 . 1 . . . . . 174 LEU CB . 50009 1 749 . 1 . 1 177 177 LEU CD1 C 13 26.154 0.400 . 2 . . . . . 174 LEU CD1 . 50009 1 750 . 1 . 1 177 177 LEU CD2 C 13 21.171 0.400 . 2 . . . . . 174 LEU CD2 . 50009 1 751 . 1 . 1 177 177 LEU N N 15 117.907 0.400 . 1 . . . . . 174 LEU N . 50009 1 752 . 1 . 1 178 178 ARG H H 1 9.143 0.020 . 1 . . . . . 175 ARG H . 50009 1 753 . 1 . 1 178 178 ARG CA C 13 58.558 0.400 . 1 . . . . . 175 ARG CA . 50009 1 754 . 1 . 1 178 178 ARG CB C 13 28.112 0.400 . 1 . . . . . 175 ARG CB . 50009 1 755 . 1 . 1 178 178 ARG N N 15 122.976 0.400 . 1 . . . . . 175 ARG N . 50009 1 756 . 1 . 1 179 179 ASN H H 1 7.944 0.020 . 1 . . . . . 176 ASN H . 50009 1 757 . 1 . 1 179 179 ASN CA C 13 55.465 0.400 . 1 . . . . . 176 ASN CA . 50009 1 758 . 1 . 1 179 179 ASN CB C 13 36.644 0.400 . 1 . . . . . 176 ASN CB . 50009 1 759 . 1 . 1 179 179 ASN N N 15 118.767 0.400 . 1 . . . . . 176 ASN N . 50009 1 760 . 1 . 1 180 180 VAL HG21 H 1 1.005 0.020 . 2 . . . . . 177 VAL HG21 . 50009 1 761 . 1 . 1 180 180 VAL HG22 H 1 1.005 0.020 . 2 . . . . . 177 VAL HG22 . 50009 1 762 . 1 . 1 180 180 VAL HG23 H 1 1.005 0.020 . 2 . . . . . 177 VAL HG23 . 50009 1 763 . 1 . 1 180 180 VAL CG2 C 13 21.963 0.400 . 2 . . . . . 177 VAL CG2 . 50009 1 764 . 1 . 1 181 181 THR H H 1 8.374 0.020 . 1 . . . . . 178 THR H . 50009 1 765 . 1 . 1 181 181 THR CA C 13 61.637 0.400 . 1 . . . . . 178 THR CA . 50009 1 766 . 1 . 1 181 181 THR N N 15 116.944 0.400 . 1 . . . . . 178 THR N . 50009 1 767 . 1 . 1 182 182 VAL H H 1 8.341 0.020 . 1 . . . . . 179 VAL H . 50009 1 768 . 1 . 1 182 182 VAL HG11 H 1 0.958 0.020 . 2 . . . . . 179 VAL HG11 . 50009 1 769 . 1 . 1 182 182 VAL HG12 H 1 0.958 0.020 . 2 . . . . . 179 VAL HG12 . 50009 1 770 . 1 . 1 182 182 VAL HG13 H 1 0.958 0.020 . 2 . . . . . 179 VAL HG13 . 50009 1 771 . 1 . 1 182 182 VAL HG21 H 1 1.051 0.020 . 2 . . . . . 179 VAL HG21 . 50009 1 772 . 1 . 1 182 182 VAL HG22 H 1 1.051 0.020 . 2 . . . . . 179 VAL HG22 . 50009 1 773 . 1 . 1 182 182 VAL HG23 H 1 1.051 0.020 . 2 . . . . . 179 VAL HG23 . 50009 1 774 . 1 . 1 182 182 VAL C C 13 177.112 0.400 . 1 . . . . . 179 VAL C . 50009 1 775 . 1 . 1 182 182 VAL CA C 13 66.116 0.400 . 1 . . . . . 179 VAL CA . 50009 1 776 . 1 . 1 182 182 VAL CB C 13 30.881 0.400 . 1 . . . . . 179 VAL CB . 50009 1 777 . 1 . 1 182 182 VAL CG1 C 13 20.314 0.400 . 2 . . . . . 179 VAL CG1 . 50009 1 778 . 1 . 1 182 182 VAL CG2 C 13 21.328 0.400 . 2 . . . . . 179 VAL CG2 . 50009 1 779 . 1 . 1 182 182 VAL N N 15 116.546 0.400 . 1 . . . . . 179 VAL N . 50009 1 780 . 1 . 1 183 183 VAL H H 1 7.403 0.020 . 1 . . . . . 180 VAL H . 50009 1 781 . 1 . 1 183 183 VAL HG11 H 1 0.852 0.020 . 2 . . . . . 180 VAL HG11 . 50009 1 782 . 1 . 1 183 183 VAL HG12 H 1 0.852 0.020 . 2 . . . . . 180 VAL HG12 . 50009 1 783 . 1 . 1 183 183 VAL HG13 H 1 0.852 0.020 . 2 . . . . . 180 VAL HG13 . 50009 1 784 . 1 . 1 183 183 VAL HG21 H 1 0.991 0.020 . 2 . . . . . 180 VAL HG21 . 50009 1 785 . 1 . 1 183 183 VAL HG22 H 1 0.991 0.020 . 2 . . . . . 180 VAL HG22 . 50009 1 786 . 1 . 1 183 183 VAL HG23 H 1 0.991 0.020 . 2 . . . . . 180 VAL HG23 . 50009 1 787 . 1 . 1 183 183 VAL C C 13 175.539 0.400 . 1 . . . . . 180 VAL C . 50009 1 788 . 1 . 1 183 183 VAL CA C 13 66.181 0.400 . 1 . . . . . 180 VAL CA . 50009 1 789 . 1 . 1 183 183 VAL CB C 13 30.803 0.400 . 1 . . . . . 180 VAL CB . 50009 1 790 . 1 . 1 183 183 VAL CG1 C 13 20.314 0.400 . 2 . . . . . 180 VAL CG1 . 50009 1 791 . 1 . 1 183 183 VAL CG2 C 13 22.039 0.400 . 2 . . . . . 180 VAL CG2 . 50009 1 792 . 1 . 1 183 183 VAL N N 15 116.648 0.400 . 1 . . . . . 180 VAL N . 50009 1 793 . 1 . 1 184 184 LEU H H 1 8.123 0.020 . 1 . . . . . 181 LEU H . 50009 1 794 . 1 . 1 184 184 LEU C C 13 179.664 0.400 . 1 . . . . . 181 LEU C . 50009 1 795 . 1 . 1 184 184 LEU CA C 13 57.252 0.400 . 1 . . . . . 181 LEU CA . 50009 1 796 . 1 . 1 184 184 LEU CB C 13 41.593 0.400 . 1 . . . . . 181 LEU CB . 50009 1 797 . 1 . 1 184 184 LEU N N 15 112.934 0.400 . 1 . . . . . 181 LEU N . 50009 1 798 . 1 . 1 185 185 TRP H H 1 9.520 0.020 . 1 . . . . . 182 TRP H . 50009 1 799 . 1 . 1 185 185 TRP C C 13 178.299 0.400 . 1 . . . . . 182 TRP C . 50009 1 800 . 1 . 1 185 185 TRP CA C 13 61.998 0.400 . 1 . . . . . 182 TRP CA . 50009 1 801 . 1 . 1 185 185 TRP CB C 13 25.723 0.400 . 1 . . . . . 182 TRP CB . 50009 1 802 . 1 . 1 185 185 TRP N N 15 116.289 0.400 . 1 . . . . . 182 TRP N . 50009 1 803 . 1 . 1 186 186 SER H H 1 7.132 0.020 . 1 . . . . . 183 SER H . 50009 1 804 . 1 . 1 186 186 SER CA C 13 62.418 0.400 . 1 . . . . . 183 SER CA . 50009 1 805 . 1 . 1 186 186 SER N N 15 109.865 0.400 . 1 . . . . . 183 SER N . 50009 1 806 . 1 . 1 187 187 ALA H H 1 7.222 0.020 . 1 . . . . . 184 ALA H . 50009 1 807 . 1 . 1 187 187 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 184 ALA HB1 . 50009 1 808 . 1 . 1 187 187 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 184 ALA HB2 . 50009 1 809 . 1 . 1 187 187 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 184 ALA HB3 . 50009 1 810 . 1 . 1 187 187 ALA C C 13 179.953 0.400 . 1 . . . . . 184 ALA C . 50009 1 811 . 1 . 1 187 187 ALA CA C 13 53.380 0.400 . 1 . . . . . 184 ALA CA . 50009 1 812 . 1 . 1 187 187 ALA CB C 13 18.278 0.400 . 1 . . . . . 184 ALA CB . 50009 1 813 . 1 . 1 187 187 ALA N N 15 117.158 0.400 . 1 . . . . . 184 ALA N . 50009 1 814 . 1 . 1 188 188 TYR H H 1 7.751 0.020 . 1 . . . . . 185 TYR H . 50009 1 815 . 1 . 1 188 188 TYR C C 13 176.653 0.400 . 1 . . . . . 185 TYR C . 50009 1 816 . 1 . 1 188 188 TYR CA C 13 64.959 0.400 . 1 . . . . . 185 TYR CA . 50009 1 817 . 1 . 1 188 188 TYR CB C 13 35.253 0.400 . 1 . . . . . 185 TYR CB . 50009 1 818 . 1 . 1 188 188 TYR N N 15 116.958 0.400 . 1 . . . . . 185 TYR N . 50009 1 819 . 1 . 1 191 191 VAL HG11 H 1 -0.047 0.020 . 2 . . . . . 188 VAL HG11 . 50009 1 820 . 1 . 1 191 191 VAL HG12 H 1 -0.047 0.020 . 2 . . . . . 188 VAL HG12 . 50009 1 821 . 1 . 1 191 191 VAL HG13 H 1 -0.047 0.020 . 2 . . . . . 188 VAL HG13 . 50009 1 822 . 1 . 1 191 191 VAL CG1 C 13 20.626 0.400 . 2 . . . . . 188 VAL CG1 . 50009 1 823 . 1 . 1 193 193 LEU HD11 H 1 0.365 0.020 . 2 . . . . . 190 LEU HD11 . 50009 1 824 . 1 . 1 193 193 LEU HD12 H 1 0.365 0.020 . 2 . . . . . 190 LEU HD12 . 50009 1 825 . 1 . 1 193 193 LEU HD13 H 1 0.365 0.020 . 2 . . . . . 190 LEU HD13 . 50009 1 826 . 1 . 1 193 193 LEU CD1 C 13 22.817 0.400 . 2 . . . . . 190 LEU CD1 . 50009 1 827 . 1 . 1 194 194 ILE HD11 H 1 0.582 0.020 . 1 . . . . . 191 ILE HD11 . 50009 1 828 . 1 . 1 194 194 ILE HD12 H 1 0.582 0.020 . 1 . . . . . 191 ILE HD12 . 50009 1 829 . 1 . 1 194 194 ILE HD13 H 1 0.582 0.020 . 1 . . . . . 191 ILE HD13 . 50009 1 830 . 1 . 1 194 194 ILE CD1 C 13 12.761 0.400 . 1 . . . . . 191 ILE CD1 . 50009 1 831 . 1 . 1 199 199 ALA HB1 H 1 1.473 0.020 . 1 . . . . . 196 ALA HB1 . 50009 1 832 . 1 . 1 199 199 ALA HB2 H 1 1.473 0.020 . 1 . . . . . 196 ALA HB2 . 50009 1 833 . 1 . 1 199 199 ALA HB3 H 1 1.473 0.020 . 1 . . . . . 196 ALA HB3 . 50009 1 834 . 1 . 1 200 200 GLY H H 1 8.296 0.020 . 1 . . . . . 197 GLY H . 50009 1 835 . 1 . 1 200 200 GLY C C 13 174.961 0.400 . 1 . . . . . 197 GLY C . 50009 1 836 . 1 . 1 200 200 GLY CA C 13 46.690 0.400 . 1 . . . . . 197 GLY CA . 50009 1 837 . 1 . 1 200 200 GLY N N 15 105.921 0.400 . 1 . . . . . 197 GLY N . 50009 1 838 . 1 . 1 201 201 ILE H H 1 7.632 0.020 . 1 . . . . . 198 ILE H . 50009 1 839 . 1 . 1 201 201 ILE HD11 H 1 0.785 0.020 . 1 . . . . . 198 ILE HD11 . 50009 1 840 . 1 . 1 201 201 ILE HD12 H 1 0.785 0.020 . 1 . . . . . 198 ILE HD12 . 50009 1 841 . 1 . 1 201 201 ILE HD13 H 1 0.785 0.020 . 1 . . . . . 198 ILE HD13 . 50009 1 842 . 1 . 1 201 201 ILE C C 13 176.178 0.400 . 1 . . . . . 198 ILE C . 50009 1 843 . 1 . 1 201 201 ILE CA C 13 62.351 0.400 . 1 . . . . . 198 ILE CA . 50009 1 844 . 1 . 1 201 201 ILE CB C 13 37.642 0.400 . 1 . . . . . 198 ILE CB . 50009 1 845 . 1 . 1 201 201 ILE CD1 C 13 11.996 0.400 . 1 . . . . . 198 ILE CD1 . 50009 1 846 . 1 . 1 201 201 ILE N N 15 117.942 0.400 . 1 . . . . . 198 ILE N . 50009 1 847 . 1 . 1 202 202 VAL H H 1 7.830 0.020 . 1 . . . . . 199 VAL H . 50009 1 848 . 1 . 1 202 202 VAL HG11 H 1 0.847 0.020 . 2 . . . . . 199 VAL HG11 . 50009 1 849 . 1 . 1 202 202 VAL HG12 H 1 0.847 0.020 . 2 . . . . . 199 VAL HG12 . 50009 1 850 . 1 . 1 202 202 VAL HG13 H 1 0.847 0.020 . 2 . . . . . 199 VAL HG13 . 50009 1 851 . 1 . 1 202 202 VAL HG21 H 1 0.676 0.020 . 2 . . . . . 199 VAL HG21 . 50009 1 852 . 1 . 1 202 202 VAL HG22 H 1 0.676 0.020 . 2 . . . . . 199 VAL HG22 . 50009 1 853 . 1 . 1 202 202 VAL HG23 H 1 0.676 0.020 . 2 . . . . . 199 VAL HG23 . 50009 1 854 . 1 . 1 202 202 VAL CA C 13 57.272 0.400 . 1 . . . . . 199 VAL CA . 50009 1 855 . 1 . 1 202 202 VAL CB C 13 32.010 0.400 . 1 . . . . . 199 VAL CB . 50009 1 856 . 1 . 1 202 202 VAL CG1 C 13 20.392 0.400 . 2 . . . . . 199 VAL CG1 . 50009 1 857 . 1 . 1 202 202 VAL CG2 C 13 19.302 0.400 . 2 . . . . . 199 VAL CG2 . 50009 1 858 . 1 . 1 202 202 VAL N N 15 114.688 0.400 . 1 . . . . . 199 VAL N . 50009 1 859 . 1 . 1 203 203 PRO C C 13 177.604 0.400 . 1 . . . . . 200 PRO C . 50009 1 860 . 1 . 1 203 203 PRO CA C 13 61.582 0.400 . 1 . . . . . 200 PRO C . 50009 1 861 . 1 . 1 203 203 PRO CB C 13 31.851 0.400 . 1 . . . . . 200 PRO C . 50009 1 862 . 1 . 1 204 204 LEU H H 1 8.756 0.020 . 1 . . . . . 201 LEU H . 50009 1 863 . 1 . 1 204 204 LEU C C 13 179.905 0.400 . 1 . . . . . 201 LEU C . 50009 1 864 . 1 . 1 204 204 LEU CA C 13 57.754 0.400 . 1 . . . . . 201 LEU CA . 50009 1 865 . 1 . 1 204 204 LEU CB C 13 41.010 0.400 . 1 . . . . . 201 LEU CB . 50009 1 866 . 1 . 1 204 204 LEU N N 15 121.949 0.400 . 1 . . . . . 201 LEU N . 50009 1 867 . 1 . 1 205 205 ASN H H 1 9.414 0.020 . 1 . . . . . 202 ASN H . 50009 1 868 . 1 . 1 205 205 ASN C C 13 175.603 0.400 . 1 . . . . . 202 ASN C . 50009 1 869 . 1 . 1 205 205 ASN CA C 13 57.569 0.400 . 1 . . . . . 202 ASN CA . 50009 1 870 . 1 . 1 205 205 ASN CB C 13 35.117 0.400 . 1 . . . . . 202 ASN CB . 50009 1 871 . 1 . 1 205 205 ASN N N 15 118.308 0.400 . 1 . . . . . 202 ASN N . 50009 1 872 . 1 . 1 206 206 ILE H H 1 6.911 0.020 . 1 . . . . . 203 ILE H . 50009 1 873 . 1 . 1 206 206 ILE HD11 H 1 0.699 0.020 . 1 . . . . . 203 ILE HD11 . 50009 1 874 . 1 . 1 206 206 ILE HD12 H 1 0.699 0.020 . 1 . . . . . 203 ILE HD12 . 50009 1 875 . 1 . 1 206 206 ILE HD13 H 1 0.699 0.020 . 1 . . . . . 203 ILE HD13 . 50009 1 876 . 1 . 1 206 206 ILE C C 13 177.336 0.400 . 1 . . . . . 203 ILE C . 50009 1 877 . 1 . 1 206 206 ILE CA C 13 61.067 0.400 . 1 . . . . . 203 ILE CA . 50009 1 878 . 1 . 1 206 206 ILE CB C 13 35.006 0.400 . 1 . . . . . 203 ILE CB . 50009 1 879 . 1 . 1 206 206 ILE CD1 C 13 8.245 0.400 . 1 . . . . . 203 ILE CD1 . 50009 1 880 . 1 . 1 206 206 ILE N N 15 119.379 0.400 . 1 . . . . . 203 ILE N . 50009 1 881 . 1 . 1 207 207 GLU H H 1 8.611 0.020 . 1 . . . . . 204 GLU H . 50009 1 882 . 1 . 1 207 207 GLU CA C 13 59.394 0.400 . 1 . . . . . 204 GLU CA . 50009 1 883 . 1 . 1 207 207 GLU CB C 13 28.112 0.400 . 1 . . . . . 204 GLU CB . 50009 1 884 . 1 . 1 207 207 GLU N N 15 122.241 0.400 . 1 . . . . . 204 GLU N . 50009 1 885 . 1 . 1 209 209 LEU HD11 H 1 -0.282 0.020 . 2 . . . . . 206 LEU HD11 . 50009 1 886 . 1 . 1 209 209 LEU HD12 H 1 -0.282 0.020 . 2 . . . . . 206 LEU HD12 . 50009 1 887 . 1 . 1 209 209 LEU HD13 H 1 -0.282 0.020 . 2 . . . . . 206 LEU HD13 . 50009 1 888 . 1 . 1 209 209 LEU HD21 H 1 0.171 0.020 . 2 . . . . . 206 LEU HD21 . 50009 1 889 . 1 . 1 209 209 LEU HD22 H 1 0.171 0.020 . 2 . . . . . 206 LEU HD22 . 50009 1 890 . 1 . 1 209 209 LEU HD23 H 1 0.171 0.020 . 2 . . . . . 206 LEU HD23 . 50009 1 891 . 1 . 1 209 209 LEU CD1 C 13 20.937 0.400 . 2 . . . . . 206 LEU CD1 . 50009 1 892 . 1 . 1 209 209 LEU CD2 C 13 23.896 0.400 . 2 . . . . . 206 LEU CD2 . 50009 1 893 . 1 . 1 210 210 LEU HD11 H 1 0.582 0.020 . 2 . . . . . 207 LEU HD11 . 50009 1 894 . 1 . 1 210 210 LEU HD12 H 1 0.582 0.020 . 2 . . . . . 207 LEU HD12 . 50009 1 895 . 1 . 1 210 210 LEU HD13 H 1 0.582 0.020 . 2 . . . . . 207 LEU HD13 . 50009 1 896 . 1 . 1 210 210 LEU HD21 H 1 0.523 0.020 . 2 . . . . . 207 LEU HD21 . 50009 1 897 . 1 . 1 210 210 LEU HD22 H 1 0.523 0.020 . 2 . . . . . 207 LEU HD22 . 50009 1 898 . 1 . 1 210 210 LEU HD23 H 1 0.523 0.020 . 2 . . . . . 207 LEU HD23 . 50009 1 899 . 1 . 1 210 210 LEU CD1 C 13 24.753 0.400 . 2 . . . . . 207 LEU CD1 . 50009 1 900 . 1 . 1 210 210 LEU CD2 C 13 20.859 0.400 . 2 . . . . . 207 LEU CD2 . 50009 1 901 . 1 . 1 212 212 MET HE1 H 1 2.036 0.020 . 1 . . . . . 209 MET HE1 . 50009 1 902 . 1 . 1 212 212 MET HE2 H 1 2.036 0.020 . 1 . . . . . 209 MET HE2 . 50009 1 903 . 1 . 1 212 212 MET HE3 H 1 2.036 0.020 . 1 . . . . . 209 MET HE3 . 50009 1 904 . 1 . 1 212 212 MET CE C 13 16.200 0.400 . 1 . . . . . 209 MET CE . 50009 1 905 . 1 . 1 213 213 VAL H H 1 8.176 0.020 . 1 . . . . . 210 VAL H . 50009 1 906 . 1 . 1 213 213 VAL HG11 H 1 0.705 0.020 . 2 . . . . . 210 VAL HG11 . 50009 1 907 . 1 . 1 213 213 VAL HG12 H 1 0.705 0.020 . 2 . . . . . 210 VAL HG12 . 50009 1 908 . 1 . 1 213 213 VAL HG13 H 1 0.705 0.020 . 2 . . . . . 210 VAL HG13 . 50009 1 909 . 1 . 1 213 213 VAL HG21 H 1 0.835 0.020 . 2 . . . . . 210 VAL HG21 . 50009 1 910 . 1 . 1 213 213 VAL HG22 H 1 0.835 0.020 . 2 . . . . . 210 VAL HG22 . 50009 1 911 . 1 . 1 213 213 VAL HG23 H 1 0.835 0.020 . 2 . . . . . 210 VAL HG23 . 50009 1 912 . 1 . 1 213 213 VAL C C 13 179.503 0.400 . 1 . . . . . 210 VAL C . 50009 1 913 . 1 . 1 213 213 VAL CA C 13 66.309 0.400 . 1 . . . . . 210 VAL CA . 50009 1 914 . 1 . 1 213 213 VAL CB C 13 30.385 0.400 . 1 . . . . . 210 VAL CB . 50009 1 915 . 1 . 1 213 213 VAL CG1 C 13 20.003 0.400 . 2 . . . . . 210 VAL CG1 . 50009 1 916 . 1 . 1 213 213 VAL CG2 C 13 21.093 0.400 . 2 . . . . . 210 VAL CG2 . 50009 1 917 . 1 . 1 213 213 VAL N N 15 118.123 0.400 . 1 . . . . . 210 VAL N . 50009 1 918 . 1 . 1 214 214 LEU H H 1 8.065 0.020 . 1 . . . . . 211 LEU H . 50009 1 919 . 1 . 1 214 214 LEU HD11 H 1 -0.035 0.020 . 2 . . . . . 211 LEU HD11 . 50009 1 920 . 1 . 1 214 214 LEU HD12 H 1 -0.035 0.020 . 2 . . . . . 211 LEU HD12 . 50009 1 921 . 1 . 1 214 214 LEU HD13 H 1 -0.035 0.020 . 2 . . . . . 211 LEU HD13 . 50009 1 922 . 1 . 1 214 214 LEU CA C 13 58.336 0.400 . 1 . . . . . 211 LEU CA . 50009 1 923 . 1 . 1 214 214 LEU CD1 C 13 22.884 0.400 . 2 . . . . . 211 LEU CD1 . 50009 1 924 . 1 . 1 214 214 LEU N N 15 122.019 0.400 . 1 . . . . . 211 LEU N . 50009 1 925 . 1 . 1 215 215 ASP H H 1 9.220 0.020 . 1 . . . . . 212 ASP H . 50009 1 926 . 1 . 1 215 215 ASP CA C 13 56.833 0.400 . 1 . . . . . 212 ASP CA . 50009 1 927 . 1 . 1 215 215 ASP CB C 13 40.173 0.400 . 1 . . . . . 212 ASP CB . 50009 1 928 . 1 . 1 215 215 ASP N N 15 118.142 0.400 . 1 . . . . . 212 ASP N . 50009 1 929 . 1 . 1 216 216 VAL H H 1 8.812 0.020 . 1 . . . . . 213 VAL H . 50009 1 930 . 1 . 1 216 216 VAL HG11 H 1 0.844 0.020 . 2 . . . . . 213 VAL HG11 . 50009 1 931 . 1 . 1 216 216 VAL HG12 H 1 0.844 0.020 . 2 . . . . . 213 VAL HG12 . 50009 1 932 . 1 . 1 216 216 VAL HG13 H 1 0.844 0.020 . 2 . . . . . 213 VAL HG13 . 50009 1 933 . 1 . 1 216 216 VAL HG21 H 1 1.093 0.020 . 2 . . . . . 213 VAL HG21 . 50009 1 934 . 1 . 1 216 216 VAL HG22 H 1 1.093 0.020 . 2 . . . . . 213 VAL HG22 . 50009 1 935 . 1 . 1 216 216 VAL HG23 H 1 1.093 0.020 . 2 . . . . . 213 VAL HG23 . 50009 1 936 . 1 . 1 216 216 VAL CA C 13 66.779 0.400 . 1 . . . . . 213 VAL CA . 50009 1 937 . 1 . 1 216 216 VAL CB C 13 30.733 0.400 . 1 . . . . . 213 VAL CB . 50009 1 938 . 1 . 1 216 216 VAL CG1 C 13 20.414 0.400 . 2 . . . . . 213 VAL CG1 . 50009 1 939 . 1 . 1 216 216 VAL CG2 C 13 21.560 0.400 . 2 . . . . . 213 VAL CG2 . 50009 1 940 . 1 . 1 216 216 VAL N N 15 117.687 0.400 . 1 . . . . . 213 VAL N . 50009 1 941 . 1 . 1 220 220 VAL HG11 H 1 0.846 0.020 . 2 . . . . . 217 VAL HG11 . 50009 1 942 . 1 . 1 220 220 VAL HG12 H 1 0.846 0.020 . 2 . . . . . 217 VAL HG12 . 50009 1 943 . 1 . 1 220 220 VAL HG13 H 1 0.846 0.020 . 2 . . . . . 217 VAL HG13 . 50009 1 944 . 1 . 1 220 220 VAL CG1 C 13 20.403 0.400 . 2 . . . . . 217 VAL CG1 . 50009 1 945 . 1 . 1 221 221 GLY H H 1 8.436 0.020 . 1 . . . . . 218 GLY H . 50009 1 946 . 1 . 1 221 221 GLY CA C 13 48.121 0.400 . 1 . . . . . 218 GLY CA . 50009 1 947 . 1 . 1 221 221 GLY N N 15 107.554 0.400 . 1 . . . . . 218 GLY N . 50009 1 948 . 1 . 1 222 222 PHE H H 1 7.027 0.020 . 1 . . . . . 219 PHE H . 50009 1 949 . 1 . 1 222 222 PHE C C 13 176.036 0.400 . 1 . . . . . 219 PHE C . 50009 1 950 . 1 . 1 222 222 PHE CA C 13 60.745 0.400 . 1 . . . . . 219 PHE CA . 50009 1 951 . 1 . 1 222 222 PHE CB C 13 40.500 0.400 . 1 . . . . . 219 PHE CB . 50009 1 952 . 1 . 1 222 222 PHE N N 15 118.673 0.400 . 1 . . . . . 219 PHE N . 50009 1 953 . 1 . 1 223 223 GLY H H 1 7.905 0.020 . 1 . . . . . 220 GLY H . 50009 1 954 . 1 . 1 223 223 GLY C C 13 174.030 0.400 . 1 . . . . . 220 GLY C . 50009 1 955 . 1 . 1 223 223 GLY CA C 13 47.474 0.400 . 1 . . . . . 220 GLY CA . 50009 1 956 . 1 . 1 223 223 GLY N N 15 103.826 0.400 . 1 . . . . . 220 GLY N . 50009 1 957 . 1 . 1 224 224 LEU H H 1 8.621 0.020 . 1 . . . . . 221 LEU H . 50009 1 958 . 1 . 1 224 224 LEU HD11 H 1 0.876 0.020 . 2 . . . . . 221 LEU HD11 . 50009 1 959 . 1 . 1 224 224 LEU HD12 H 1 0.876 0.020 . 2 . . . . . 221 LEU HD12 . 50009 1 960 . 1 . 1 224 224 LEU HD13 H 1 0.876 0.020 . 2 . . . . . 221 LEU HD13 . 50009 1 961 . 1 . 1 224 224 LEU C C 13 178.556 0.400 . 1 . . . . . 221 LEU C . 50009 1 962 . 1 . 1 224 224 LEU CA C 13 57.754 0.400 . 1 . . . . . 221 LEU CA . 50009 1 963 . 1 . 1 224 224 LEU CB C 13 41.520 0.400 . 1 . . . . . 221 LEU CB . 50009 1 964 . 1 . 1 224 224 LEU CD1 C 13 25.142 0.400 . 2 . . . . . 221 LEU CD1 . 50009 1 965 . 1 . 1 224 224 LEU N N 15 121.287 0.400 . 1 . . . . . 221 LEU N . 50009 1 966 . 1 . 1 225 225 ILE H H 1 7.313 0.020 . 1 . . . . . 222 ILE H . 50009 1 967 . 1 . 1 225 225 ILE HD11 H 1 0.658 0.020 . 1 . . . . . 222 ILE HD11 . 50009 1 968 . 1 . 1 225 225 ILE HD12 H 1 0.658 0.020 . 1 . . . . . 222 ILE HD12 . 50009 1 969 . 1 . 1 225 225 ILE HD13 H 1 0.658 0.020 . 1 . . . . . 222 ILE HD13 . 50009 1 970 . 1 . 1 225 225 ILE C C 13 178.091 0.400 . 1 . . . . . 222 ILE C . 50009 1 971 . 1 . 1 225 225 ILE CA C 13 64.154 0.400 . 1 . . . . . 222 ILE CA . 50009 1 972 . 1 . 1 225 225 ILE CB C 13 36.926 0.400 . 1 . . . . . 222 ILE CB . 50009 1 973 . 1 . 1 225 225 ILE CD1 C 13 12.528 0.400 . 1 . . . . . 222 ILE CD1 . 50009 1 974 . 1 . 1 225 225 ILE N N 15 116.143 0.400 . 1 . . . . . 222 ILE N . 50009 1 975 . 1 . 1 226 226 LEU H H 1 7.685 0.020 . 1 . . . . . 223 LEU H . 50009 1 976 . 1 . 1 226 226 LEU HD11 H 1 0.294 0.020 . 2 . . . . . 223 LEU HD11 . 50009 1 977 . 1 . 1 226 226 LEU HD12 H 1 0.294 0.020 . 2 . . . . . 223 LEU HD12 . 50009 1 978 . 1 . 1 226 226 LEU HD13 H 1 0.294 0.020 . 2 . . . . . 223 LEU HD13 . 50009 1 979 . 1 . 1 226 226 LEU HD21 H 1 0.735 0.020 . 2 . . . . . 223 LEU HD21 . 50009 1 980 . 1 . 1 226 226 LEU HD22 H 1 0.735 0.020 . 2 . . . . . 223 LEU HD22 . 50009 1 981 . 1 . 1 226 226 LEU HD23 H 1 0.735 0.020 . 2 . . . . . 223 LEU HD23 . 50009 1 982 . 1 . 1 226 226 LEU C C 13 178.645 0.400 . 1 . . . . . 223 LEU C . 50009 1 983 . 1 . 1 226 226 LEU CA C 13 57.915 0.400 . 1 . . . . . 223 LEU CA . 50009 1 984 . 1 . 1 226 226 LEU CB C 13 40.684 0.400 . 1 . . . . . 223 LEU CB . 50009 1 985 . 1 . 1 226 226 LEU CD1 C 13 21.716 0.400 . 2 . . . . . 223 LEU CD1 . 50009 1 986 . 1 . 1 226 226 LEU CD2 C 13 25.375 0.400 . 2 . . . . . 223 LEU CD2 . 50009 1 987 . 1 . 1 226 226 LEU N N 15 117.643 0.400 . 1 . . . . . 223 LEU N . 50009 1 988 . 1 . 1 227 227 LEU H H 1 8.413 0.020 . 1 . . . . . 224 LEU H . 50009 1 989 . 1 . 1 227 227 LEU HD11 H 1 -0.205 0.020 . 2 . . . . . 224 LEU HD11 . 50009 1 990 . 1 . 1 227 227 LEU HD12 H 1 -0.205 0.020 . 2 . . . . . 224 LEU HD12 . 50009 1 991 . 1 . 1 227 227 LEU HD13 H 1 -0.205 0.020 . 2 . . . . . 224 LEU HD13 . 50009 1 992 . 1 . 1 227 227 LEU HD21 H 1 -0.358 0.020 . 2 . . . . . 224 LEU HD21 . 50009 1 993 . 1 . 1 227 227 LEU HD22 H 1 -0.358 0.020 . 2 . . . . . 224 LEU HD22 . 50009 1 994 . 1 . 1 227 227 LEU HD23 H 1 -0.358 0.020 . 2 . . . . . 224 LEU HD23 . 50009 1 995 . 1 . 1 227 227 LEU C C 13 177.818 0.400 . 1 . . . . . 224 LEU C . 50009 1 996 . 1 . 1 227 227 LEU CA C 13 55.821 0.400 . 1 . . . . . 224 LEU CA . 50009 1 997 . 1 . 1 227 227 LEU CB C 13 38.039 0.400 . 1 . . . . . 224 LEU CB . 50009 1 998 . 1 . 1 227 227 LEU CD1 C 13 22.572 0.400 . 2 . . . . . 224 LEU CD1 . 50009 1 999 . 1 . 1 227 227 LEU CD2 C 13 18.445 0.400 . 2 . . . . . 224 LEU CD2 . 50009 1 1000 . 1 . 1 227 227 LEU N N 15 112.253 0.400 . 1 . . . . . 224 LEU N . 50009 1 1001 . 1 . 1 228 228 ARG H H 1 7.093 0.020 . 1 . . . . . 225 ARG H . 50009 1 1002 . 1 . 1 228 228 ARG C C 13 176.084 0.400 . 1 . . . . . 225 ARG C . 50009 1 1003 . 1 . 1 228 228 ARG CA C 13 55.439 0.400 . 1 . . . . . 225 ARG CA . 50009 1 1004 . 1 . 1 228 228 ARG CB C 13 29.342 0.400 . 1 . . . . . 225 ARG CB . 50009 1 1005 . 1 . 1 228 228 ARG N N 15 115.764 0.400 . 1 . . . . . 225 ARG N . 50009 1 1006 . 1 . 1 229 229 SER H H 1 7.379 0.020 . 1 . . . . . 226 SER H . 50009 1 1007 . 1 . 1 229 229 SER C C 13 175.105 0.400 . 1 . . . . . 226 SER C . 50009 1 1008 . 1 . 1 229 229 SER CA C 13 57.754 0.400 . 1 . . . . . 226 SER CA . 50009 1 1009 . 1 . 1 229 229 SER CB C 13 63.993 0.400 . 1 . . . . . 226 SER CB . 50009 1 1010 . 1 . 1 229 229 SER N N 15 115.679 0.400 . 1 . . . . . 226 SER N . 50009 1 1011 . 1 . 1 230 230 ARG H H 1 8.738 0.020 . 1 . . . . . 227 ARG H . 50009 1 1012 . 1 . 1 230 230 ARG C C 13 177.930 0.400 . 1 . . . . . 227 ARG C . 50009 1 1013 . 1 . 1 230 230 ARG CA C 13 55.891 0.400 . 1 . . . . . 227 ARG CA . 50009 1 1014 . 1 . 1 230 230 ARG CB C 13 28.490 0.400 . 1 . . . . . 227 ARG CB . 50009 1 1015 . 1 . 1 230 230 ARG N N 15 120.512 0.400 . 1 . . . . . 227 ARG N . 50009 1 1016 . 1 . 1 231 231 ALA H H 1 8.073 0.020 . 1 . . . . . 228 ALA H . 50009 1 1017 . 1 . 1 231 231 ALA HB1 H 1 1.188 0.020 . 1 . . . . . 228 ALA HB1 . 50009 1 1018 . 1 . 1 231 231 ALA HB2 H 1 1.188 0.020 . 1 . . . . . 228 ALA HB2 . 50009 1 1019 . 1 . 1 231 231 ALA HB3 H 1 1.188 0.020 . 1 . . . . . 228 ALA HB3 . 50009 1 1020 . 1 . 1 231 231 ALA C C 13 176.149 0.400 . 1 . . . . . 228 ALA C . 50009 1 1021 . 1 . 1 231 231 ALA CA C 13 53.444 0.400 . 1 . . . . . 228 ALA CA . 50009 1 1022 . 1 . 1 231 231 ALA CB C 13 18.509 0.400 . 1 . . . . . 228 ALA CB . 50009 1 1023 . 1 . 1 231 231 ALA N N 15 119.377 0.400 . 1 . . . . . 228 ALA N . 50009 1 1024 . 1 . 1 232 232 ILE H H 1 6.158 0.020 . 1 . . . . . 229 ILE H . 50009 1 1025 . 1 . 1 232 232 ILE HD11 H 1 0.605 0.020 . 1 . . . . . 229 ILE HD11 . 50009 1 1026 . 1 . 1 232 232 ILE HD12 H 1 0.605 0.020 . 1 . . . . . 229 ILE HD12 . 50009 1 1027 . 1 . 1 232 232 ILE HD13 H 1 0.605 0.020 . 1 . . . . . 229 ILE HD13 . 50009 1 1028 . 1 . 1 232 232 ILE C C 13 173.838 0.400 . 1 . . . . . 229 ILE C . 50009 1 1029 . 1 . 1 232 232 ILE CA C 13 61.277 0.400 . 1 . . . . . 229 ILE CA . 50009 1 1030 . 1 . 1 232 232 ILE CB C 13 36.763 0.400 . 1 . . . . . 229 ILE CB . 50009 1 1031 . 1 . 1 232 232 ILE CD1 C 13 13.929 0.400 . 1 . . . . . 229 ILE CD1 . 50009 1 1032 . 1 . 1 232 232 ILE N N 15 104.207 0.400 . 1 . . . . . 229 ILE N . 50009 1 1033 . 1 . 1 233 233 PHE H H 1 6.888 0.020 . 1 . . . . . 230 PHE H . 50009 1 1034 . 1 . 1 233 233 PHE C C 13 177.015 0.400 . 1 . . . . . 230 PHE C . 50009 1 1035 . 1 . 1 233 233 PHE CA C 13 57.175 0.400 . 1 . . . . . 230 PHE CA . 50009 1 1036 . 1 . 1 233 233 PHE CB C 13 39.844 0.400 . 1 . . . . . 230 PHE CB . 50009 1 1037 . 1 . 1 233 233 PHE N N 15 116.407 0.400 . 1 . . . . . 230 PHE N . 50009 1 1038 . 1 . 1 234 234 GLY H H 1 9.124 0.020 . 1 . . . . . 231 GLY H . 50009 1 1039 . 1 . 1 234 234 GLY C C 13 174.495 0.400 . 1 . . . . . 231 GLY C . 50009 1 1040 . 1 . 1 234 234 GLY CA C 13 44.919 0.400 . 1 . . . . . 231 GLY CA . 50009 1 1041 . 1 . 1 234 234 GLY N N 15 109.964 0.400 . 1 . . . . . 231 GLY N . 50009 1 1042 . 1 . 1 235 235 GLU H H 1 8.301 0.020 . 1 . . . . . 232 GLU H . 50009 1 1043 . 1 . 1 235 235 GLU C C 13 176.004 0.400 . 1 . . . . . 232 GLU C . 50009 1 1044 . 1 . 1 235 235 GLU CA C 13 55.857 0.400 . 1 . . . . . 232 GLU CA . 50009 1 1045 . 1 . 1 235 235 GLU CB C 13 29.715 0.400 . 1 . . . . . 232 GLU CB . 50009 1 1046 . 1 . 1 235 235 GLU N N 15 120.611 0.400 . 1 . . . . . 232 GLU N . 50009 1 1047 . 1 . 1 236 236 ALA H H 1 8.259 0.020 . 1 . . . . . 233 ALA H . 50009 1 1048 . 1 . 1 236 236 ALA HB1 H 1 1.353 0.020 . 1 . . . . . 233 ALA HB1 . 50009 1 1049 . 1 . 1 236 236 ALA HB2 H 1 1.353 0.020 . 1 . . . . . 233 ALA HB2 . 50009 1 1050 . 1 . 1 236 236 ALA HB3 H 1 1.353 0.020 . 1 . . . . . 233 ALA HB3 . 50009 1 1051 . 1 . 1 236 236 ALA C C 13 177.465 0.400 . 1 . . . . . 233 ALA C . 50009 1 1052 . 1 . 1 236 236 ALA CA C 13 51.965 0.400 . 1 . . . . . 233 ALA CA . 50009 1 1053 . 1 . 1 236 236 ALA CB C 13 18.639 0.400 . 1 . . . . . 233 ALA CB . 50009 1 1054 . 1 . 1 236 236 ALA N N 15 125.313 0.400 . 1 . . . . . 233 ALA N . 50009 1 1055 . 1 . 1 237 237 GLU H H 1 8.190 0.020 . 1 . . . . . 234 GLU H . 50009 1 1056 . 1 . 1 237 237 GLU C C 13 175.699 0.400 . 1 . . . . . 234 GLU C . 50009 1 1057 . 1 . 1 237 237 GLU CA C 13 55.696 0.400 . 1 . . . . . 234 GLU CA . 50009 1 1058 . 1 . 1 237 237 GLU CB C 13 29.497 0.400 . 1 . . . . . 234 GLU CB . 50009 1 1059 . 1 . 1 237 237 GLU N N 15 119.919 0.400 . 1 . . . . . 234 GLU N . 50009 1 1060 . 1 . 1 238 238 ALA H H 1 8.178 0.020 . 1 . . . . . 235 ALA H . 50009 1 1061 . 1 . 1 238 238 ALA HB1 H 1 1.306 0.020 . 1 . . . . . 235 ALA HB1 . 50009 1 1062 . 1 . 1 238 238 ALA HB2 H 1 1.306 0.020 . 1 . . . . . 235 ALA HB2 . 50009 1 1063 . 1 . 1 238 238 ALA HB3 H 1 1.306 0.020 . 1 . . . . . 235 ALA HB3 . 50009 1 1064 . 1 . 1 238 238 ALA C C 13 175.410 0.400 . 1 . . . . . 235 ALA C . 50009 1 1065 . 1 . 1 238 238 ALA CA C 13 49.842 0.400 . 1 . . . . . 235 ALA CA . 50009 1 1066 . 1 . 1 238 238 ALA CB C 13 17.473 0.400 . 1 . . . . . 235 ALA CB . 50009 1 1067 . 1 . 1 238 238 ALA N N 15 126.198 0.400 . 1 . . . . . 235 ALA N . 50009 1 1068 . 1 . 1 239 239 PRO C C 13 176.641 0.400 . 1 . . . . . 236 PRO C . 50009 1 1069 . 1 . 1 239 239 PRO CA C 13 62.386 0.400 . 1 . . . . . 236 PRO C . 50009 1 1070 . 1 . 1 239 239 PRO CB C 13 31.015 0.400 . 1 . . . . . 236 PRO C . 50009 1 1071 . 1 . 1 240 240 GLU H H 1 8.200 0.020 . 1 . . . . . 237 GLU H . 50009 1 1072 . 1 . 1 240 240 GLU C C 13 174.897 0.400 . 1 . . . . . 237 GLU C . 50009 1 1073 . 1 . 1 240 240 GLU CA C 13 53.863 0.400 . 1 . . . . . 237 GLU CA . 50009 1 1074 . 1 . 1 240 240 GLU CB C 13 28.841 0.400 . 1 . . . . . 237 GLU CB . 50009 1 1075 . 1 . 1 240 240 GLU N N 15 121.587 0.400 . 1 . . . . . 237 GLU N . 50009 1 1076 . 1 . 1 241 241 PRO C C 13 177.059 0.400 . 1 . . . . . 238 PRO C . 50009 1 1077 . 1 . 1 241 241 PRO CA C 13 63.045 0.400 . 1 . . . . . 238 PRO C . 50009 1 1078 . 1 . 1 241 241 PRO CB C 13 31.015 0.400 . 1 . . . . . 238 PRO C . 50009 1 1079 . 1 . 1 242 242 SER H H 1 8.227 0.020 . 1 . . . . . 239 SER H . 50009 1 1080 . 1 . 1 242 242 SER C C 13 174.447 0.400 . 1 . . . . . 239 SER C . 50009 1 1081 . 1 . 1 242 242 SER CA C 13 57.775 0.400 . 1 . . . . . 239 SER CA . 50009 1 1082 . 1 . 1 242 242 SER CB C 13 63.145 0.400 . 1 . . . . . 239 SER CB . 50009 1 1083 . 1 . 1 242 242 SER N N 15 115.242 0.400 . 1 . . . . . 239 SER N . 50009 1 1084 . 1 . 1 243 243 ALA H H 1 8.171 0.020 . 1 . . . . . 240 ALA H . 50009 1 1085 . 1 . 1 243 243 ALA C C 13 178.155 0.400 . 1 . . . . . 240 ALA C . 50009 1 1086 . 1 . 1 243 243 ALA CA C 13 52.222 0.400 . 1 . . . . . 240 ALA CA . 50009 1 1087 . 1 . 1 243 243 ALA CB C 13 18.566 0.400 . 1 . . . . . 240 ALA CB . 50009 1 1088 . 1 . 1 243 243 ALA N N 15 125.501 0.400 . 1 . . . . . 240 ALA N . 50009 1 1089 . 1 . 1 244 244 GLY H H 1 8.150 0.020 . 1 . . . . . 241 GLY H . 50009 1 1090 . 1 . 1 244 244 GLY C C 13 174.046 0.400 . 1 . . . . . 241 GLY C . 50009 1 1091 . 1 . 1 244 244 GLY CA C 13 44.919 0.400 . 1 . . . . . 241 GLY CA . 50009 1 1092 . 1 . 1 244 244 GLY N N 15 107.467 0.400 . 1 . . . . . 241 GLY N . 50009 1 1093 . 1 . 1 245 245 ASP H H 1 8.094 0.020 . 1 . . . . . 242 ASP H . 50009 1 1094 . 1 . 1 245 245 ASP C C 13 176.983 0.400 . 1 . . . . . 242 ASP C . 50009 1 1095 . 1 . 1 245 245 ASP CA C 13 54.023 0.400 . 1 . . . . . 242 ASP CA . 50009 1 1096 . 1 . 1 245 245 ASP CB C 13 40.573 0.400 . 1 . . . . . 242 ASP CB . 50009 1 1097 . 1 . 1 245 245 ASP N N 15 120.171 0.400 . 1 . . . . . 242 ASP N . 50009 1 1098 . 1 . 1 246 246 GLY H H 1 8.258 0.020 . 1 . . . . . 243 GLY H . 50009 1 1099 . 1 . 1 246 246 GLY C C 13 174.254 0.400 . 1 . . . . . 243 GLY C . 50009 1 1100 . 1 . 1 246 246 GLY CA C 13 45.123 0.400 . 1 . . . . . 243 GLY CA . 50009 1 1101 . 1 . 1 246 246 GLY N N 15 109.076 0.400 . 1 . . . . . 243 GLY N . 50009 1 1102 . 1 . 1 247 247 ALA H H 1 7.969 0.020 . 1 . . . . . 244 ALA H . 50009 1 1103 . 1 . 1 247 247 ALA C C 13 177.625 0.400 . 1 . . . . . 244 ALA C . 50009 1 1104 . 1 . 1 247 247 ALA CA C 13 52.094 0.400 . 1 . . . . . 244 ALA CA . 50009 1 1105 . 1 . 1 247 247 ALA CB C 13 18.202 0.400 . 1 . . . . . 244 ALA CB . 50009 1 1106 . 1 . 1 247 247 ALA N N 15 123.357 0.400 . 1 . . . . . 244 ALA N . 50009 1 1107 . 1 . 1 248 248 ALA H H 1 8.028 0.020 . 1 . . . . . 245 ALA H . 50009 1 1108 . 1 . 1 248 248 ALA C C 13 177.669 0.400 . 1 . . . . . 245 ALA C . 50009 1 1109 . 1 . 1 248 248 ALA CA C 13 52.189 0.400 . 1 . . . . . 245 ALA CA . 50009 1 1110 . 1 . 1 248 248 ALA CB C 13 18.202 0.400 . 1 . . . . . 245 ALA CB . 50009 1 1111 . 1 . 1 248 248 ALA N N 15 122.335 0.400 . 1 . . . . . 245 ALA N . 50009 1 1112 . 1 . 1 249 249 ALA H H 1 8.043 0.020 . 1 . . . . . 246 ALA H . 50009 1 1113 . 1 . 1 249 249 ALA C C 13 178.059 0.400 . 1 . . . . . 246 ALA C . 50009 1 1114 . 1 . 1 249 249 ALA CA C 13 52.087 0.400 . 1 . . . . . 246 ALA CA . 50009 1 1115 . 1 . 1 249 249 ALA CB C 13 18.129 0.400 . 1 . . . . . 246 ALA CB . 50009 1 1116 . 1 . 1 249 249 ALA N N 15 122.376 0.400 . 1 . . . . . 246 ALA N . 50009 1 1117 . 1 . 1 250 250 THR H H 1 7.887 0.020 . 1 . . . . . 247 THR H . 50009 1 1118 . 1 . 1 250 250 THR C C 13 174.704 0.400 . 1 . . . . . 247 THR C . 50009 1 1119 . 1 . 1 250 250 THR CA C 13 61.509 0.400 . 1 . . . . . 247 THR CA . 50009 1 1120 . 1 . 1 250 250 THR CB C 13 69.073 0.400 . 1 . . . . . 247 THR CB . 50009 1 1121 . 1 . 1 250 250 THR N N 15 111.982 0.400 . 1 . . . . . 247 THR N . 50009 1 1122 . 1 . 1 251 251 SER H H 1 8.072 0.020 . 1 . . . . . 248 SER H . 50009 1 1123 . 1 . 1 251 251 SER C C 13 174.479 0.400 . 1 . . . . . 248 SER C . 50009 1 1124 . 1 . 1 251 251 SER CA C 13 57.947 0.400 . 1 . . . . . 248 SER CA . 50009 1 1125 . 1 . 1 251 251 SER CB C 13 63.019 0.400 . 1 . . . . . 248 SER CB . 50009 1 1126 . 1 . 1 251 251 SER N N 15 117.212 0.400 . 1 . . . . . 248 SER N . 50009 1 1127 . 1 . 1 252 252 LEU H H 1 8.068 0.020 . 1 . . . . . 249 LEU H . 50009 1 1128 . 1 . 1 252 252 LEU C C 13 177.176 0.400 . 1 . . . . . 249 LEU C . 50009 1 1129 . 1 . 1 252 252 LEU CA C 13 54.956 0.400 . 1 . . . . . 249 LEU CA . 50009 1 1130 . 1 . 1 252 252 LEU CB C 13 41.156 0.400 . 1 . . . . . 249 LEU CB . 50009 1 1131 . 1 . 1 252 252 LEU N N 15 123.438 0.400 . 1 . . . . . 249 LEU N . 50009 1 1132 . 1 . 1 253 253 GLU H H 1 8.059 0.020 . 1 . . . . . 250 GLU H . 50009 1 1133 . 1 . 1 253 253 GLU C C 13 176.165 0.400 . 1 . . . . . 250 GLU C . 50009 1 1134 . 1 . 1 253 253 GLU CA C 13 56.114 0.400 . 1 . . . . . 250 GLU CA . 50009 1 1135 . 1 . 1 253 253 GLU CB C 13 29.278 0.400 . 1 . . . . . 250 GLU CB . 50009 1 1136 . 1 . 1 253 253 GLU N N 15 120.211 0.400 . 1 . . . . . 250 GLU N . 50009 1 stop_ save_