data_17829 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17829 _Entry.Title ; FVIII C2 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-03 _Entry.Accession_date 2011-08-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kristin Nuzzio . M. . 17829 2 David Cullinan . B. . 17829 3 Valerie Novakovic . A. . 17829 4 John Boettcher . M. . 17829 5 Chad Rienstra . M. . 17829 6 Gary Gilbert . E. . 17829 7 James Baleja . D. . 17829 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17829 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 17829 '15N chemical shifts' 145 17829 '1H chemical shifts' 145 17829 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2011-08-03 update BMRB 'update entry citation' 17829 1 . . 2012-03-01 2011-08-03 original author 'original release' 17829 stop_ save_ ############### # Citations # ############### save_C2_Domain_citation _Citation.Sf_category citations _Citation.Sf_framecode C2_Domain_citation _Citation.Entry_ID 17829 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392338 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments of the C2 domain of coagulation factor VIII.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _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 31 _Citation.Page_last 34 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kristin Nuzzio . M. . 17829 1 2 David Cullinan . B. . 17829 1 3 Valerie Novakovic . A. . 17829 1 4 John Boettcher . M. . 17829 1 5 Chad Rienstra . M. . 17829 1 6 Gary Gilbert . E. . 17829 1 7 James Baleja . D. . 17829 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17829 _Assembly.ID 1 _Assembly.Name 'C2 Domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 C2_Domain 1 $C2_Domain A . yes native no no . . . 17829 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 C2_Domain 1 CYS 5 5 SG . 1 C2_Domain 1 CYS 157 157 SG . C2_Domain 2174 CYS SG . C2_Domain 2326 CYS SG 17829 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C2_Domain _Entity.Sf_category entity _Entity.Sf_framecode C2_Domain _Entity.Entry_ID 17829 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C2_Domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMCSMPLGMESKAISDAQ ITASSYFTNMFATWSPSKAR LHLQGRSNAWRPQVNNPKEW LQVDFQKTMKVTGVTTQGVK SLLTSMYVKEFLISSSQDGH QWTLFFQNGKVKVFQGNQDS FTPVVNSLDPPLLTRYLRIH PQSWVHQIALRMEVLGCEAQ DLY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1D7P . "Crystal Structure Of The C2 Domain Of Human Factor Viii At 1.5 A Resolution At 1.5 A" . . . . . 95.71 159 99.36 99.36 8.41e-111 . . . . 17829 1 2 no PDB 1IQD . "Human Factor Viii C2 Domain Complexed To Human Monoclonal Bo2c11 Fab" . . . . . 95.71 156 99.36 99.36 7.76e-111 . . . . 17829 1 3 no PDB 3HNB . "Factor Viii Trp2313-His2315 Segment Is Involved In Membrane Shown By Crystal Structure Of Complex Between Factor Viii C And An " . . . . . 95.09 159 100.00 100.00 8.05e-111 . . . . 17829 1 4 no PDB 3HNY . "Factor Viii Trp2313-His2315 Segment Is Involved In Membrane Binding As Shown By Crystal Structure Of Complex Between Factor Vii" . . . . . 95.09 159 100.00 100.00 8.05e-111 . . . . 17829 1 5 no PDB 3HOB . "Factor Viii Trp2313-His2315 Segment Is Involved In Membrane Shown By Crystal Structure Of Complex Between Factor Viii C And An " . . . . . 95.09 159 100.00 100.00 8.05e-111 . . . . 17829 1 6 no PDB 4KI5 . "Cystal Structure Of Human Factor Viii C2 Domain In A Ternary Complex With Murine Inhbitory Antibodies 3e6 And G99" . . . . . 101.84 183 98.19 98.19 3.22e-115 . . . . 17829 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 . GLY . 17829 1 2 . SER . 17829 1 3 . HIS . 17829 1 4 . MET . 17829 1 5 2174 CYS . 17829 1 6 2175 SER . 17829 1 7 2176 MET . 17829 1 8 2177 PRO . 17829 1 9 2178 LEU . 17829 1 10 2179 GLY . 17829 1 11 2180 MET . 17829 1 12 2181 GLU . 17829 1 13 2182 SER . 17829 1 14 2183 LYS . 17829 1 15 2184 ALA . 17829 1 16 2185 ILE . 17829 1 17 2186 SER . 17829 1 18 2187 ASP . 17829 1 19 2188 ALA . 17829 1 20 2189 GLN . 17829 1 21 2190 ILE . 17829 1 22 2191 THR . 17829 1 23 2192 ALA . 17829 1 24 2193 SER . 17829 1 25 2194 SER . 17829 1 26 2195 TYR . 17829 1 27 2196 PHE . 17829 1 28 2197 THR . 17829 1 29 2198 ASN . 17829 1 30 2199 MET . 17829 1 31 2200 PHE . 17829 1 32 2201 ALA . 17829 1 33 2202 THR . 17829 1 34 2203 TRP . 17829 1 35 2204 SER . 17829 1 36 2205 PRO . 17829 1 37 2206 SER . 17829 1 38 2207 LYS . 17829 1 39 2208 ALA . 17829 1 40 2209 ARG . 17829 1 41 2210 LEU . 17829 1 42 2211 HIS . 17829 1 43 2212 LEU . 17829 1 44 2213 GLN . 17829 1 45 2214 GLY . 17829 1 46 2215 ARG . 17829 1 47 2216 SER . 17829 1 48 2217 ASN . 17829 1 49 2218 ALA . 17829 1 50 2219 TRP . 17829 1 51 2220 ARG . 17829 1 52 2221 PRO . 17829 1 53 2222 GLN . 17829 1 54 2223 VAL . 17829 1 55 2224 ASN . 17829 1 56 2225 ASN . 17829 1 57 2226 PRO . 17829 1 58 2227 LYS . 17829 1 59 2228 GLU . 17829 1 60 2229 TRP . 17829 1 61 2230 LEU . 17829 1 62 2231 GLN . 17829 1 63 2232 VAL . 17829 1 64 2233 ASP . 17829 1 65 2234 PHE . 17829 1 66 2235 GLN . 17829 1 67 2236 LYS . 17829 1 68 2237 THR . 17829 1 69 2238 MET . 17829 1 70 2239 LYS . 17829 1 71 2240 VAL . 17829 1 72 2241 THR . 17829 1 73 2242 GLY . 17829 1 74 2243 VAL . 17829 1 75 2244 THR . 17829 1 76 2245 THR . 17829 1 77 2246 GLN . 17829 1 78 2247 GLY . 17829 1 79 2248 VAL . 17829 1 80 2249 LYS . 17829 1 81 2250 SER . 17829 1 82 2251 LEU . 17829 1 83 2252 LEU . 17829 1 84 2253 THR . 17829 1 85 2254 SER . 17829 1 86 2255 MET . 17829 1 87 2256 TYR . 17829 1 88 2257 VAL . 17829 1 89 2258 LYS . 17829 1 90 2259 GLU . 17829 1 91 2260 PHE . 17829 1 92 2261 LEU . 17829 1 93 2262 ILE . 17829 1 94 2263 SER . 17829 1 95 2264 SER . 17829 1 96 2265 SER . 17829 1 97 2266 GLN . 17829 1 98 2267 ASP . 17829 1 99 2268 GLY . 17829 1 100 2269 HIS . 17829 1 101 2270 GLN . 17829 1 102 2271 TRP . 17829 1 103 2272 THR . 17829 1 104 2273 LEU . 17829 1 105 2274 PHE . 17829 1 106 2275 PHE . 17829 1 107 2276 GLN . 17829 1 108 2277 ASN . 17829 1 109 2278 GLY . 17829 1 110 2279 LYS . 17829 1 111 2280 VAL . 17829 1 112 2281 LYS . 17829 1 113 2282 VAL . 17829 1 114 2283 PHE . 17829 1 115 2284 GLN . 17829 1 116 2285 GLY . 17829 1 117 2286 ASN . 17829 1 118 2287 GLN . 17829 1 119 2288 ASP . 17829 1 120 2289 SER . 17829 1 121 2290 PHE . 17829 1 122 2291 THR . 17829 1 123 2292 PRO . 17829 1 124 2293 VAL . 17829 1 125 2294 VAL . 17829 1 126 2295 ASN . 17829 1 127 2296 SER . 17829 1 128 2297 LEU . 17829 1 129 2298 ASP . 17829 1 130 2299 PRO . 17829 1 131 2300 PRO . 17829 1 132 2301 LEU . 17829 1 133 2302 LEU . 17829 1 134 2303 THR . 17829 1 135 2304 ARG . 17829 1 136 2305 TYR . 17829 1 137 2306 LEU . 17829 1 138 2307 ARG . 17829 1 139 2308 ILE . 17829 1 140 2309 HIS . 17829 1 141 2310 PRO . 17829 1 142 2311 GLN . 17829 1 143 2312 SER . 17829 1 144 2313 TRP . 17829 1 145 2314 VAL . 17829 1 146 2315 HIS . 17829 1 147 2316 GLN . 17829 1 148 2317 ILE . 17829 1 149 2318 ALA . 17829 1 150 2319 LEU . 17829 1 151 2320 ARG . 17829 1 152 2321 MET . 17829 1 153 2322 GLU . 17829 1 154 2323 VAL . 17829 1 155 2324 LEU . 17829 1 156 2325 GLY . 17829 1 157 2326 CYS . 17829 1 158 2327 GLU . 17829 1 159 2328 ALA . 17829 1 160 2329 GLN . 17829 1 161 2330 ASP . 17829 1 162 2331 LEU . 17829 1 163 2332 TYR . 17829 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 17829 1 . SER 2 2 17829 1 . HIS 3 3 17829 1 . MET 4 4 17829 1 . CYS 5 5 17829 1 . SER 6 6 17829 1 . MET 7 7 17829 1 . PRO 8 8 17829 1 . LEU 9 9 17829 1 . GLY 10 10 17829 1 . MET 11 11 17829 1 . GLU 12 12 17829 1 . SER 13 13 17829 1 . LYS 14 14 17829 1 . ALA 15 15 17829 1 . ILE 16 16 17829 1 . SER 17 17 17829 1 . ASP 18 18 17829 1 . ALA 19 19 17829 1 . GLN 20 20 17829 1 . ILE 21 21 17829 1 . THR 22 22 17829 1 . ALA 23 23 17829 1 . SER 24 24 17829 1 . SER 25 25 17829 1 . TYR 26 26 17829 1 . PHE 27 27 17829 1 . THR 28 28 17829 1 . ASN 29 29 17829 1 . MET 30 30 17829 1 . PHE 31 31 17829 1 . ALA 32 32 17829 1 . THR 33 33 17829 1 . TRP 34 34 17829 1 . SER 35 35 17829 1 . PRO 36 36 17829 1 . SER 37 37 17829 1 . LYS 38 38 17829 1 . ALA 39 39 17829 1 . ARG 40 40 17829 1 . LEU 41 41 17829 1 . HIS 42 42 17829 1 . LEU 43 43 17829 1 . GLN 44 44 17829 1 . GLY 45 45 17829 1 . ARG 46 46 17829 1 . SER 47 47 17829 1 . ASN 48 48 17829 1 . ALA 49 49 17829 1 . TRP 50 50 17829 1 . ARG 51 51 17829 1 . PRO 52 52 17829 1 . GLN 53 53 17829 1 . VAL 54 54 17829 1 . ASN 55 55 17829 1 . ASN 56 56 17829 1 . PRO 57 57 17829 1 . LYS 58 58 17829 1 . GLU 59 59 17829 1 . TRP 60 60 17829 1 . LEU 61 61 17829 1 . GLN 62 62 17829 1 . VAL 63 63 17829 1 . ASP 64 64 17829 1 . PHE 65 65 17829 1 . GLN 66 66 17829 1 . LYS 67 67 17829 1 . THR 68 68 17829 1 . MET 69 69 17829 1 . LYS 70 70 17829 1 . VAL 71 71 17829 1 . THR 72 72 17829 1 . GLY 73 73 17829 1 . VAL 74 74 17829 1 . THR 75 75 17829 1 . THR 76 76 17829 1 . GLN 77 77 17829 1 . GLY 78 78 17829 1 . VAL 79 79 17829 1 . LYS 80 80 17829 1 . SER 81 81 17829 1 . LEU 82 82 17829 1 . LEU 83 83 17829 1 . THR 84 84 17829 1 . SER 85 85 17829 1 . MET 86 86 17829 1 . TYR 87 87 17829 1 . VAL 88 88 17829 1 . LYS 89 89 17829 1 . GLU 90 90 17829 1 . PHE 91 91 17829 1 . LEU 92 92 17829 1 . ILE 93 93 17829 1 . SER 94 94 17829 1 . SER 95 95 17829 1 . SER 96 96 17829 1 . GLN 97 97 17829 1 . ASP 98 98 17829 1 . GLY 99 99 17829 1 . HIS 100 100 17829 1 . GLN 101 101 17829 1 . TRP 102 102 17829 1 . THR 103 103 17829 1 . LEU 104 104 17829 1 . PHE 105 105 17829 1 . PHE 106 106 17829 1 . GLN 107 107 17829 1 . ASN 108 108 17829 1 . GLY 109 109 17829 1 . LYS 110 110 17829 1 . VAL 111 111 17829 1 . LYS 112 112 17829 1 . VAL 113 113 17829 1 . PHE 114 114 17829 1 . GLN 115 115 17829 1 . GLY 116 116 17829 1 . ASN 117 117 17829 1 . GLN 118 118 17829 1 . ASP 119 119 17829 1 . SER 120 120 17829 1 . PHE 121 121 17829 1 . THR 122 122 17829 1 . PRO 123 123 17829 1 . VAL 124 124 17829 1 . VAL 125 125 17829 1 . ASN 126 126 17829 1 . SER 127 127 17829 1 . LEU 128 128 17829 1 . ASP 129 129 17829 1 . PRO 130 130 17829 1 . PRO 131 131 17829 1 . LEU 132 132 17829 1 . LEU 133 133 17829 1 . THR 134 134 17829 1 . ARG 135 135 17829 1 . TYR 136 136 17829 1 . LEU 137 137 17829 1 . ARG 138 138 17829 1 . ILE 139 139 17829 1 . HIS 140 140 17829 1 . PRO 141 141 17829 1 . GLN 142 142 17829 1 . SER 143 143 17829 1 . TRP 144 144 17829 1 . VAL 145 145 17829 1 . HIS 146 146 17829 1 . GLN 147 147 17829 1 . ILE 148 148 17829 1 . ALA 149 149 17829 1 . LEU 150 150 17829 1 . ARG 151 151 17829 1 . MET 152 152 17829 1 . GLU 153 153 17829 1 . VAL 154 154 17829 1 . LEU 155 155 17829 1 . GLY 156 156 17829 1 . CYS 157 157 17829 1 . GLU 158 158 17829 1 . ALA 159 159 17829 1 . GLN 160 160 17829 1 . ASP 161 161 17829 1 . LEU 162 162 17829 1 . TYR 163 163 17829 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17829 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $C2_Domain . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17829 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17829 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $C2_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21 . . . . . . 17829 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17829 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2 Domain' 'natural abundance' . . 1 $C2_Domain . . 0.8 . . mM . . . . 17829 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17829 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17829 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17829 1 5 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 17829 1 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 17829 1 7 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17829 1 8 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 17829 1 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 17829 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17829 1 pH 6.5 . pH 17829 1 pressure 1 . atm 17829 1 temperature 298 . K 17829 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17829 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17829 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17829 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17829 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17829 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 17829 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17829 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17829 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17829 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17829 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17829 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17829 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 17829 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 CYS C C 13 173.305 0.000 . 1 . . . . 2174 C C . 17829 1 2 . 1 1 5 5 CYS CA C 13 57.241 0.000 . 1 . . . . 2174 C CA . 17829 1 3 . 1 1 5 5 CYS CB C 13 45.537 0.118 . 1 . . . . 2174 C CB . 17829 1 4 . 1 1 6 6 SER H H 1 8.255 0.011 . 1 . . . . 2175 S H . 17829 1 5 . 1 1 6 6 SER C C 13 172.849 0.000 . 1 . . . . 2175 S C . 17829 1 6 . 1 1 6 6 SER CA C 13 57.368 0.216 . 1 . . . . 2175 S CA . 17829 1 7 . 1 1 6 6 SER CB C 13 63.371 0.003 . 1 . . . . 2175 S CB . 17829 1 8 . 1 1 6 6 SER N N 15 118.173 0.132 . 1 . . . . 2175 S N . 17829 1 9 . 1 1 7 7 MET H H 1 8.534 0.013 . 1 . . . . 2176 M H . 17829 1 10 . 1 1 7 7 MET CA C 13 54.227 0.013 . 1 . . . . 2176 M CA . 17829 1 11 . 1 1 7 7 MET CB C 13 33.021 0.000 . 1 . . . . 2176 M CB . 17829 1 12 . 1 1 7 7 MET N N 15 123.490 0.029 . 1 . . . . 2176 M N . 17829 1 13 . 1 1 8 8 PRO C C 13 179.000 0.000 . 1 . . . . 2177 P C . 17829 1 14 . 1 1 8 8 PRO CA C 13 63.355 0.099 . 1 . . . . 2177 P CA . 17829 1 15 . 1 1 8 8 PRO CB C 13 32.665 0.016 . 1 . . . . 2177 P CB . 17829 1 16 . 1 1 9 9 LEU H H 1 9.180 0.011 . 1 . . . . 2178 L H . 17829 1 17 . 1 1 9 9 LEU C C 13 176.933 0.000 . 1 . . . . 2178 L C . 17829 1 18 . 1 1 9 9 LEU CA C 13 56.267 0.145 . 1 . . . . 2178 L CA . 17829 1 19 . 1 1 9 9 LEU CB C 13 42.719 0.169 . 1 . . . . 2178 L CB . 17829 1 20 . 1 1 9 9 LEU N N 15 124.342 0.153 . 1 . . . . 2178 L N . 17829 1 21 . 1 1 10 10 GLY H H 1 7.268 0.010 . 1 . . . . 2179 G H . 17829 1 22 . 1 1 10 10 GLY C C 13 176.618 0.000 . 1 . . . . 2179 G C . 17829 1 23 . 1 1 10 10 GLY CA C 13 47.758 0.197 . 1 . . . . 2179 G CA . 17829 1 24 . 1 1 10 10 GLY N N 15 103.551 0.032 . 1 . . . . 2179 G N . 17829 1 25 . 1 1 11 11 MET H H 1 10.777 0.005 . 1 . . . . 2180 M H . 17829 1 26 . 1 1 11 11 MET C C 13 179.187 0.000 . 1 . . . . 2180 M C . 17829 1 27 . 1 1 11 11 MET CA C 13 57.188 0.069 . 1 . . . . 2180 M CA . 17829 1 28 . 1 1 11 11 MET CB C 13 32.552 0.163 . 1 . . . . 2180 M CB . 17829 1 29 . 1 1 11 11 MET N N 15 125.553 0.067 . 1 . . . . 2180 M N . 17829 1 30 . 1 1 12 12 GLU H H 1 9.406 0.013 . 1 . . . . 2181 E H . 17829 1 31 . 1 1 12 12 GLU C C 13 179.219 0.000 . 1 . . . . 2181 E C . 17829 1 32 . 1 1 12 12 GLU CA C 13 60.420 0.073 . 1 . . . . 2181 E CA . 17829 1 33 . 1 1 12 12 GLU CB C 13 30.706 0.091 . 1 . . . . 2181 E CB . 17829 1 34 . 1 1 12 12 GLU N N 15 123.415 0.074 . 1 . . . . 2181 E N . 17829 1 35 . 1 1 13 13 SER H H 1 9.252 0.014 . 1 . . . . 2182 S H . 17829 1 36 . 1 1 13 13 SER C C 13 175.588 0.000 . 1 . . . . 2182 S C . 17829 1 37 . 1 1 13 13 SER CA C 13 59.915 0.090 . 1 . . . . 2182 S CA . 17829 1 38 . 1 1 13 13 SER CB C 13 64.901 0.087 . 1 . . . . 2182 S CB . 17829 1 39 . 1 1 13 13 SER N N 15 114.965 0.097 . 1 . . . . 2182 S N . 17829 1 40 . 1 1 14 14 LYS H H 1 7.250 0.012 . 1 . . . . 2183 K H . 17829 1 41 . 1 1 14 14 LYS C C 13 175.228 0.000 . 1 . . . . 2183 K C . 17829 1 42 . 1 1 14 14 LYS CA C 13 59.793 0.097 . 1 . . . . 2183 K CA . 17829 1 43 . 1 1 14 14 LYS CB C 13 29.571 0.137 . 1 . . . . 2183 K CB . 17829 1 44 . 1 1 14 14 LYS N N 15 113.528 0.077 . 1 . . . . 2183 K N . 17829 1 45 . 1 1 15 15 ALA H H 1 7.976 0.021 . 1 . . . . 2184 A H . 17829 1 46 . 1 1 15 15 ALA C C 13 180.681 0.000 . 1 . . . . 2184 A C . 17829 1 47 . 1 1 15 15 ALA CA C 13 55.437 0.000 . 1 . . . . 2184 A CA . 17829 1 48 . 1 1 15 15 ALA CB C 13 19.061 0.000 . 1 . . . . 2184 A CB . 17829 1 49 . 1 1 15 15 ALA N N 15 123.432 0.048 . 1 . . . . 2184 A N . 17829 1 50 . 1 1 16 16 ILE H H 1 7.696 0.012 . 1 . . . . 2185 I H . 17829 1 51 . 1 1 16 16 ILE C C 13 175.419 0.000 . 1 . . . . 2185 I C . 17829 1 52 . 1 1 16 16 ILE CA C 13 62.036 0.034 . 1 . . . . 2185 I CA . 17829 1 53 . 1 1 16 16 ILE N N 15 117.733 0.064 . 1 . . . . 2185 I N . 17829 1 54 . 1 1 17 17 SER H H 1 8.101 0.017 . 1 . . . . 2186 S H . 17829 1 55 . 1 1 17 17 SER C C 13 174.508 0.000 . 1 . . . . 2186 S C . 17829 1 56 . 1 1 17 17 SER CA C 13 59.442 0.000 . 1 . . . . 2186 S CA . 17829 1 57 . 1 1 17 17 SER CB C 13 65.882 0.133 . 1 . . . . 2186 S CB . 17829 1 58 . 1 1 17 17 SER N N 15 127.543 0.061 . 1 . . . . 2186 S N . 17829 1 59 . 1 1 18 18 ASP H H 1 8.850 0.015 . 1 . . . . 2187 D H . 17829 1 60 . 1 1 18 18 ASP C C 13 177.659 0.000 . 1 . . . . 2187 D C . 17829 1 61 . 1 1 18 18 ASP CA C 13 58.919 0.000 . 1 . . . . 2187 D CA . 17829 1 62 . 1 1 18 18 ASP CB C 13 40.421 0.080 . 1 . . . . 2187 D CB . 17829 1 63 . 1 1 18 18 ASP N N 15 121.826 0.100 . 1 . . . . 2187 D N . 17829 1 64 . 1 1 19 19 ALA H H 1 7.880 0.012 . 1 . . . . 2188 A H . 17829 1 65 . 1 1 19 19 ALA C C 13 178.999 0.000 . 1 . . . . 2188 A C . 17829 1 66 . 1 1 19 19 ALA CA C 13 54.300 0.076 . 1 . . . . 2188 A CA . 17829 1 67 . 1 1 19 19 ALA CB C 13 19.400 0.000 . 1 . . . . 2188 A CB . 17829 1 68 . 1 1 19 19 ALA N N 15 117.970 0.025 . 1 . . . . 2188 A N . 17829 1 69 . 1 1 20 20 GLN H H 1 7.466 0.020 . 1 . . . . 2189 Q H . 17829 1 70 . 1 1 20 20 GLN C C 13 174.876 0.000 . 1 . . . . 2189 Q C . 17829 1 71 . 1 1 20 20 GLN CA C 13 57.879 0.109 . 1 . . . . 2189 Q CA . 17829 1 72 . 1 1 20 20 GLN CB C 13 31.745 0.092 . 1 . . . . 2189 Q CB . 17829 1 73 . 1 1 20 20 GLN N N 15 115.376 0.064 . 1 . . . . 2189 Q N . 17829 1 74 . 1 1 21 21 ILE H H 1 7.578 0.012 . 1 . . . . 2190 I H . 17829 1 75 . 1 1 21 21 ILE C C 13 174.877 0.000 . 1 . . . . 2190 I C . 17829 1 76 . 1 1 21 21 ILE CA C 13 61.236 0.181 . 1 . . . . 2190 I CA . 17829 1 77 . 1 1 21 21 ILE CB C 13 39.687 0.040 . 1 . . . . 2190 I CB . 17829 1 78 . 1 1 21 21 ILE N N 15 124.624 0.132 . 1 . . . . 2190 I N . 17829 1 79 . 1 1 22 22 THR H H 1 9.049 0.014 . 1 . . . . 2191 T H . 17829 1 80 . 1 1 22 22 THR C C 13 172.132 0.000 . 1 . . . . 2191 T C . 17829 1 81 . 1 1 22 22 THR CA C 13 59.901 0.158 . 1 . . . . 2191 T CA . 17829 1 82 . 1 1 22 22 THR CB C 13 74.053 0.084 . 1 . . . . 2191 T CB . 17829 1 83 . 1 1 22 22 THR N N 15 117.060 0.029 . 1 . . . . 2191 T N . 17829 1 84 . 1 1 23 23 ALA H H 1 8.192 0.012 . 1 . . . . 2192 A H . 17829 1 85 . 1 1 23 23 ALA C C 13 176.906 0.000 . 1 . . . . 2192 A C . 17829 1 86 . 1 1 23 23 ALA CA C 13 52.121 0.078 . 1 . . . . 2192 A CA . 17829 1 87 . 1 1 23 23 ALA CB C 13 25.396 0.118 . 1 . . . . 2192 A CB . 17829 1 88 . 1 1 23 23 ALA N N 15 118.150 0.055 . 1 . . . . 2192 A N . 17829 1 89 . 1 1 24 24 SER H H 1 7.572 0.011 . 1 . . . . 2193 S H . 17829 1 90 . 1 1 24 24 SER C C 13 175.218 0.000 . 1 . . . . 2193 S C . 17829 1 91 . 1 1 24 24 SER CA C 13 61.178 0.223 . 1 . . . . 2193 S CA . 17829 1 92 . 1 1 24 24 SER N N 15 117.317 0.043 . 1 . . . . 2193 S N . 17829 1 93 . 1 1 25 25 SER H H 1 7.578 0.014 . 1 . . . . 2194 S H . 17829 1 94 . 1 1 25 25 SER C C 13 172.351 0.000 . 1 . . . . 2194 S C . 17829 1 95 . 1 1 25 25 SER CA C 13 59.154 0.252 . 1 . . . . 2194 S CA . 17829 1 96 . 1 1 25 25 SER CB C 13 65.172 0.136 . 1 . . . . 2194 S CB . 17829 1 97 . 1 1 25 25 SER N N 15 112.429 0.053 . 1 . . . . 2194 S N . 17829 1 98 . 1 1 26 26 TYR H H 1 8.302 0.013 . 1 . . . . 2195 Y H . 17829 1 99 . 1 1 26 26 TYR C C 13 172.793 0.000 . 1 . . . . 2195 Y C . 17829 1 100 . 1 1 26 26 TYR CA C 13 57.353 0.053 . 1 . . . . 2195 Y CA . 17829 1 101 . 1 1 26 26 TYR CB C 13 40.823 0.000 . 1 . . . . 2195 Y CB . 17829 1 102 . 1 1 26 26 TYR N N 15 113.322 0.035 . 1 . . . . 2195 Y N . 17829 1 103 . 1 1 27 27 PHE H H 1 8.236 0.181 . 1 . . . . 2196 F H . 17829 1 104 . 1 1 27 27 PHE C C 13 174.505 0.000 . 1 . . . . 2196 F C . 17829 1 105 . 1 1 27 27 PHE CA C 13 58.246 0.112 . 1 . . . . 2196 F CA . 17829 1 106 . 1 1 27 27 PHE CB C 13 40.198 0.118 . 1 . . . . 2196 F CB . 17829 1 107 . 1 1 27 27 PHE N N 15 123.775 0.049 . 1 . . . . 2196 F N . 17829 1 108 . 1 1 28 28 THR H H 1 7.864 0.012 . 1 . . . . 2197 T H . 17829 1 109 . 1 1 28 28 THR C C 13 171.756 0.000 . 1 . . . . 2197 T C . 17829 1 110 . 1 1 28 28 THR CA C 13 61.500 0.000 . 1 . . . . 2197 T CA . 17829 1 111 . 1 1 28 28 THR CB C 13 71.078 0.058 . 1 . . . . 2197 T CB . 17829 1 112 . 1 1 28 28 THR N N 15 123.689 0.030 . 1 . . . . 2197 T N . 17829 1 113 . 1 1 29 29 ASN H H 1 8.604 0.013 . 1 . . . . 2198 N H . 17829 1 114 . 1 1 29 29 ASN CA C 13 52.675 0.031 . 1 . . . . 2198 N CA . 17829 1 115 . 1 1 29 29 ASN CB C 13 39.634 0.000 . 1 . . . . 2198 N CB . 17829 1 116 . 1 1 29 29 ASN N N 15 124.718 0.109 . 1 . . . . 2198 N N . 17829 1 117 . 1 1 30 30 MET C C 13 175.900 0.000 . 1 . . . . 2199 M C . 17829 1 118 . 1 1 30 30 MET CA C 13 58.691 0.000 . 1 . . . . 2199 M CA . 17829 1 119 . 1 1 30 30 MET CB C 13 31.839 0.000 . 1 . . . . 2199 M CB . 17829 1 120 . 1 1 31 31 PHE H H 1 7.935 0.010 . 1 . . . . 2200 F H . 17829 1 121 . 1 1 31 31 PHE C C 13 175.055 0.000 . 1 . . . . 2200 F C . 17829 1 122 . 1 1 31 31 PHE CA C 13 58.733 0.027 . 1 . . . . 2200 F CA . 17829 1 123 . 1 1 31 31 PHE CB C 13 40.423 0.000 . 1 . . . . 2200 F CB . 17829 1 124 . 1 1 31 31 PHE N N 15 117.648 0.033 . 1 . . . . 2200 F N . 17829 1 125 . 1 1 32 32 ALA H H 1 7.962 0.013 . 1 . . . . 2201 A H . 17829 1 126 . 1 1 32 32 ALA C C 13 175.330 0.000 . 1 . . . . 2201 A C . 17829 1 127 . 1 1 32 32 ALA CA C 13 53.078 0.110 . 1 . . . . 2201 A CA . 17829 1 128 . 1 1 32 32 ALA CB C 13 22.611 0.028 . 1 . . . . 2201 A CB . 17829 1 129 . 1 1 32 32 ALA N N 15 123.419 0.050 . 1 . . . . 2201 A N . 17829 1 130 . 1 1 33 33 THR H H 1 7.978 0.012 . 1 . . . . 2202 T H . 17829 1 131 . 1 1 33 33 THR C C 13 173.887 0.000 . 1 . . . . 2202 T C . 17829 1 132 . 1 1 33 33 THR CA C 13 62.211 0.070 . 1 . . . . 2202 T CA . 17829 1 133 . 1 1 33 33 THR CB C 13 71.397 0.098 . 1 . . . . 2202 T CB . 17829 1 134 . 1 1 33 33 THR N N 15 116.570 0.117 . 1 . . . . 2202 T N . 17829 1 135 . 1 1 34 34 TRP H H 1 9.172 0.013 . 1 . . . . 2203 W H . 17829 1 136 . 1 1 34 34 TRP C C 13 175.895 0.000 . 1 . . . . 2203 W C . 17829 1 137 . 1 1 34 34 TRP CA C 13 55.861 0.109 . 1 . . . . 2203 W CA . 17829 1 138 . 1 1 34 34 TRP CB C 13 27.200 0.028 . 1 . . . . 2203 W CB . 17829 1 139 . 1 1 34 34 TRP N N 15 101.970 0.059 . 1 . . . . 2203 W N . 17829 1 140 . 1 1 35 35 SER H H 1 6.858 0.012 . 1 . . . . 2204 S H . 17829 1 141 . 1 1 35 35 SER CA C 13 57.571 0.028 . 1 . . . . 2204 S CA . 17829 1 142 . 1 1 35 35 SER CB C 13 62.577 0.000 . 1 . . . . 2204 S CB . 17829 1 143 . 1 1 35 35 SER N N 15 111.206 0.034 . 1 . . . . 2204 S N . 17829 1 144 . 1 1 36 36 PRO C C 13 176.068 0.000 . 1 . . . . 2205 P C . 17829 1 145 . 1 1 36 36 PRO CA C 13 66.167 0.149 . 1 . . . . 2205 P CA . 17829 1 146 . 1 1 36 36 PRO CB C 13 31.671 0.068 . 1 . . . . 2205 P CB . 17829 1 147 . 1 1 37 37 SER H H 1 7.158 0.011 . 1 . . . . 2206 S H . 17829 1 148 . 1 1 37 37 SER C C 13 174.164 0.000 . 1 . . . . 2206 S C . 17829 1 149 . 1 1 37 37 SER CA C 13 60.013 0.022 . 1 . . . . 2206 S CA . 17829 1 150 . 1 1 37 37 SER CB C 13 62.774 0.091 . 1 . . . . 2206 S CB . 17829 1 151 . 1 1 37 37 SER N N 15 104.894 0.076 . 1 . . . . 2206 S N . 17829 1 152 . 1 1 38 38 LYS H H 1 7.786 0.012 . 1 . . . . 2207 K H . 17829 1 153 . 1 1 38 38 LYS C C 13 176.980 0.000 . 1 . . . . 2207 K C . 17829 1 154 . 1 1 38 38 LYS CA C 13 55.400 0.125 . 1 . . . . 2207 K CA . 17829 1 155 . 1 1 38 38 LYS CB C 13 31.732 0.000 . 1 . . . . 2207 K CB . 17829 1 156 . 1 1 38 38 LYS N N 15 121.432 0.058 . 1 . . . . 2207 K N . 17829 1 157 . 1 1 39 39 ALA H H 1 7.609 0.014 . 1 . . . . 2208 A H . 17829 1 158 . 1 1 39 39 ALA C C 13 177.948 0.000 . 1 . . . . 2208 A C . 17829 1 159 . 1 1 39 39 ALA CA C 13 52.325 0.017 . 1 . . . . 2208 A CA . 17829 1 160 . 1 1 39 39 ALA CB C 13 19.127 0.075 . 1 . . . . 2208 A CB . 17829 1 161 . 1 1 39 39 ALA N N 15 123.890 0.191 . 1 . . . . 2208 A N . 17829 1 162 . 1 1 40 40 ARG H H 1 8.244 0.013 . 1 . . . . 2209 R H . 17829 1 163 . 1 1 40 40 ARG C C 13 175.218 0.000 . 1 . . . . 2209 R C . 17829 1 164 . 1 1 40 40 ARG CA C 13 56.242 0.151 . 1 . . . . 2209 R CA . 17829 1 165 . 1 1 40 40 ARG CB C 13 33.296 0.189 . 1 . . . . 2209 R CB . 17829 1 166 . 1 1 40 40 ARG N N 15 122.450 0.036 . 1 . . . . 2209 R N . 17829 1 167 . 1 1 41 41 LEU H H 1 7.211 0.015 . 1 . . . . 2210 L H . 17829 1 168 . 1 1 41 41 LEU C C 13 175.297 0.000 . 1 . . . . 2210 L C . 17829 1 169 . 1 1 41 41 LEU CA C 13 56.833 0.202 . 1 . . . . 2210 L CA . 17829 1 170 . 1 1 41 41 LEU CB C 13 43.911 0.000 . 1 . . . . 2210 L CB . 17829 1 171 . 1 1 41 41 LEU N N 15 126.227 0.122 . 1 . . . . 2210 L N . 17829 1 172 . 1 1 42 42 HIS H H 1 8.978 0.013 . 1 . . . . 2211 H H . 17829 1 173 . 1 1 42 42 HIS C C 13 175.550 0.000 . 1 . . . . 2211 H C . 17829 1 174 . 1 1 42 42 HIS CA C 13 59.420 0.040 . 1 . . . . 2211 H CA . 17829 1 175 . 1 1 42 42 HIS CB C 13 28.551 0.046 . 1 . . . . 2211 H CB . 17829 1 176 . 1 1 42 42 HIS N N 15 115.373 0.084 . 1 . . . . 2211 H N . 17829 1 177 . 1 1 43 43 LEU H H 1 8.173 0.012 . 1 . . . . 2212 L H . 17829 1 178 . 1 1 43 43 LEU C C 13 177.443 0.000 . 1 . . . . 2212 L C . 17829 1 179 . 1 1 43 43 LEU CA C 13 58.336 0.115 . 1 . . . . 2212 L CA . 17829 1 180 . 1 1 43 43 LEU CB C 13 43.202 0.111 . 1 . . . . 2212 L CB . 17829 1 181 . 1 1 43 43 LEU N N 15 126.739 0.038 . 1 . . . . 2212 L N . 17829 1 182 . 1 1 44 44 GLN H H 1 8.388 0.014 . 1 . . . . 2213 Q H . 17829 1 183 . 1 1 44 44 GLN C C 13 175.724 0.000 . 1 . . . . 2213 Q C . 17829 1 184 . 1 1 44 44 GLN CA C 13 54.852 0.098 . 1 . . . . 2213 Q CA . 17829 1 185 . 1 1 44 44 GLN CB C 13 31.610 0.000 . 1 . . . . 2213 Q CB . 17829 1 186 . 1 1 44 44 GLN N N 15 125.147 0.054 . 1 . . . . 2213 Q N . 17829 1 187 . 1 1 45 45 GLY H H 1 8.263 0.012 . 1 . . . . 2214 G H . 17829 1 188 . 1 1 45 45 GLY CA C 13 45.033 0.011 . 1 . . . . 2214 G CA . 17829 1 189 . 1 1 45 45 GLY N N 15 109.473 0.061 . 1 . . . . 2214 G N . 17829 1 190 . 1 1 46 46 ARG H H 1 8.308 0.000 . 1 . . . . 2215 R H . 17829 1 191 . 1 1 46 46 ARG C C 13 177.125 0.000 . 1 . . . . 2215 R C . 17829 1 192 . 1 1 46 46 ARG CA C 13 57.540 0.000 . 1 . . . . 2215 R CA . 17829 1 193 . 1 1 46 46 ARG CB C 13 31.252 0.074 . 1 . . . . 2215 R CB . 17829 1 194 . 1 1 46 46 ARG N N 15 122.526 0.000 . 1 . . . . 2215 R N . 17829 1 195 . 1 1 47 47 SER H H 1 8.178 0.014 . 1 . . . . 2216 S H . 17829 1 196 . 1 1 47 47 SER C C 13 173.817 0.000 . 1 . . . . 2216 S C . 17829 1 197 . 1 1 47 47 SER CA C 13 56.711 0.000 . 1 . . . . 2216 S CA . 17829 1 198 . 1 1 47 47 SER CB C 13 61.784 0.106 . 1 . . . . 2216 S CB . 17829 1 199 . 1 1 47 47 SER N N 15 116.842 0.072 . 1 . . . . 2216 S N . 17829 1 200 . 1 1 48 48 ASN H H 1 8.338 0.013 . 1 . . . . 2217 N H . 17829 1 201 . 1 1 48 48 ASN C C 13 170.935 0.000 . 1 . . . . 2217 N C . 17829 1 202 . 1 1 48 48 ASN CA C 13 54.116 0.000 . 1 . . . . 2217 N CA . 17829 1 203 . 1 1 48 48 ASN CB C 13 35.858 0.000 . 1 . . . . 2217 N CB . 17829 1 204 . 1 1 48 48 ASN N N 15 118.802 0.091 . 1 . . . . 2217 N N . 17829 1 205 . 1 1 49 49 ALA H H 1 7.496 0.014 . 1 . . . . 2218 A H . 17829 1 206 . 1 1 49 49 ALA C C 13 176.451 0.000 . 1 . . . . 2218 A C . 17829 1 207 . 1 1 49 49 ALA CA C 13 52.285 0.043 . 1 . . . . 2218 A CA . 17829 1 208 . 1 1 49 49 ALA CB C 13 21.988 0.144 . 1 . . . . 2218 A CB . 17829 1 209 . 1 1 49 49 ALA N N 15 115.369 0.050 . 1 . . . . 2218 A N . 17829 1 210 . 1 1 50 50 TRP H H 1 7.751 0.014 . 1 . . . . 2219 W H . 17829 1 211 . 1 1 50 50 TRP C C 13 176.539 0.000 . 1 . . . . 2219 W C . 17829 1 212 . 1 1 50 50 TRP CA C 13 57.779 0.122 . 1 . . . . 2219 W CA . 17829 1 213 . 1 1 50 50 TRP CB C 13 30.842 0.158 . 1 . . . . 2219 W CB . 17829 1 214 . 1 1 50 50 TRP N N 15 116.276 0.071 . 1 . . . . 2219 W N . 17829 1 215 . 1 1 51 51 ARG H H 1 7.209 0.011 . 1 . . . . 2220 R H . 17829 1 216 . 1 1 51 51 ARG CA C 13 52.886 0.122 . 1 . . . . 2220 R CA . 17829 1 217 . 1 1 51 51 ARG CB C 13 34.612 0.000 . 1 . . . . 2220 R CB . 17829 1 218 . 1 1 51 51 ARG N N 15 127.525 0.076 . 1 . . . . 2220 R N . 17829 1 219 . 1 1 52 52 PRO C C 13 175.272 0.000 . 1 . . . . 2221 P C . 17829 1 220 . 1 1 52 52 PRO CA C 13 61.959 0.000 . 1 . . . . 2221 P CA . 17829 1 221 . 1 1 53 53 GLN H H 1 8.589 0.013 . 1 . . . . 2222 Q H . 17829 1 222 . 1 1 53 53 GLN C C 13 174.848 0.000 . 1 . . . . 2222 Q C . 17829 1 223 . 1 1 53 53 GLN CA C 13 59.488 0.055 . 1 . . . . 2222 Q CA . 17829 1 224 . 1 1 53 53 GLN CB C 13 29.238 0.098 . 1 . . . . 2222 Q CB . 17829 1 225 . 1 1 53 53 GLN N N 15 119.450 0.038 . 1 . . . . 2222 Q N . 17829 1 226 . 1 1 54 54 VAL H H 1 6.553 0.010 . 1 . . . . 2223 V H . 17829 1 227 . 1 1 54 54 VAL C C 13 173.361 0.000 . 1 . . . . 2223 V C . 17829 1 228 . 1 1 54 54 VAL CA C 13 59.333 0.135 . 1 . . . . 2223 V CA . 17829 1 229 . 1 1 54 54 VAL CB C 13 35.294 0.032 . 1 . . . . 2223 V CB . 17829 1 230 . 1 1 54 54 VAL N N 15 110.425 0.102 . 1 . . . . 2223 V N . 17829 1 231 . 1 1 55 55 ASN H H 1 8.314 0.013 . 1 . . . . 2224 N H . 17829 1 232 . 1 1 55 55 ASN C C 13 172.433 0.000 . 1 . . . . 2224 N C . 17829 1 233 . 1 1 55 55 ASN CA C 13 53.088 0.021 . 1 . . . . 2224 N CA . 17829 1 234 . 1 1 55 55 ASN CB C 13 38.732 0.155 . 1 . . . . 2224 N CB . 17829 1 235 . 1 1 55 55 ASN N N 15 119.298 0.063 . 1 . . . . 2224 N N . 17829 1 236 . 1 1 56 56 ASN H H 1 6.613 0.011 . 1 . . . . 2225 N H . 17829 1 237 . 1 1 56 56 ASN CA C 13 52.877 0.077 . 1 . . . . 2225 N CA . 17829 1 238 . 1 1 56 56 ASN CB C 13 40.478 0.000 . 1 . . . . 2225 N CB . 17829 1 239 . 1 1 56 56 ASN N N 15 121.702 0.055 . 1 . . . . 2225 N N . 17829 1 240 . 1 1 57 57 PRO C C 13 176.356 0.000 . 1 . . . . 2226 P C . 17829 1 241 . 1 1 57 57 PRO CA C 13 64.779 0.027 . 1 . . . . 2226 P CA . 17829 1 242 . 1 1 57 57 PRO CB C 13 32.634 0.179 . 1 . . . . 2226 P CB . 17829 1 243 . 1 1 58 58 LYS H H 1 8.646 0.012 . 1 . . . . 2227 K H . 17829 1 244 . 1 1 58 58 LYS C C 13 176.942 0.000 . 1 . . . . 2227 K C . 17829 1 245 . 1 1 58 58 LYS CA C 13 57.198 0.000 . 1 . . . . 2227 K CA . 17829 1 246 . 1 1 58 58 LYS CB C 13 32.261 0.000 . 1 . . . . 2227 K CB . 17829 1 247 . 1 1 58 58 LYS N N 15 119.713 0.030 . 1 . . . . 2227 K N . 17829 1 248 . 1 1 59 59 GLU H H 1 7.606 0.013 . 1 . . . . 2228 E H . 17829 1 249 . 1 1 59 59 GLU C C 13 175.644 0.000 . 1 . . . . 2228 E C . 17829 1 250 . 1 1 59 59 GLU CA C 13 56.124 0.120 . 1 . . . . 2228 E CA . 17829 1 251 . 1 1 59 59 GLU CB C 13 30.846 0.019 . 1 . . . . 2228 E CB . 17829 1 252 . 1 1 59 59 GLU N N 15 121.944 0.065 . 1 . . . . 2228 E N . 17829 1 253 . 1 1 60 60 TRP H H 1 8.815 0.014 . 1 . . . . 2229 W H . 17829 1 254 . 1 1 60 60 TRP C C 13 172.447 0.000 . 1 . . . . 2229 W C . 17829 1 255 . 1 1 60 60 TRP CA C 13 55.980 0.065 . 1 . . . . 2229 W CA . 17829 1 256 . 1 1 60 60 TRP CB C 13 32.169 0.121 . 1 . . . . 2229 W CB . 17829 1 257 . 1 1 60 60 TRP N N 15 114.763 0.056 . 1 . . . . 2229 W N . 17829 1 258 . 1 1 61 61 LEU H H 1 7.517 0.010 . 1 . . . . 2230 L H . 17829 1 259 . 1 1 61 61 LEU C C 13 174.029 0.000 . 1 . . . . 2230 L C . 17829 1 260 . 1 1 61 61 LEU CA C 13 54.040 0.129 . 1 . . . . 2230 L CA . 17829 1 261 . 1 1 61 61 LEU CB C 13 45.339 0.039 . 1 . . . . 2230 L CB . 17829 1 262 . 1 1 61 61 LEU N N 15 121.457 0.130 . 1 . . . . 2230 L N . 17829 1 263 . 1 1 62 62 GLN H H 1 9.507 0.012 . 1 . . . . 2231 Q H . 17829 1 264 . 1 1 62 62 GLN CA C 13 54.127 0.024 . 1 . . . . 2231 Q CA . 17829 1 265 . 1 1 62 62 GLN CB C 13 34.715 0.000 . 1 . . . . 2231 Q CB . 17829 1 266 . 1 1 62 62 GLN N N 15 128.162 0.062 . 1 . . . . 2231 Q N . 17829 1 267 . 1 1 63 63 VAL C C 13 173.508 0.000 . 1 . . . . 2232 V C . 17829 1 268 . 1 1 63 63 VAL CA C 13 61.449 0.110 . 1 . . . . 2232 V CA . 17829 1 269 . 1 1 63 63 VAL CB C 13 35.680 0.012 . 1 . . . . 2232 V CB . 17829 1 270 . 1 1 64 64 ASP H H 1 8.109 0.013 . 1 . . . . 2233 D H . 17829 1 271 . 1 1 64 64 ASP C C 13 177.107 0.000 . 1 . . . . 2233 D C . 17829 1 272 . 1 1 64 64 ASP CA C 13 51.816 0.106 . 1 . . . . 2233 D CA . 17829 1 273 . 1 1 64 64 ASP CB C 13 43.056 0.126 . 1 . . . . 2233 D CB . 17829 1 274 . 1 1 64 64 ASP N N 15 124.587 0.070 . 1 . . . . 2233 D N . 17829 1 275 . 1 1 65 65 PHE H H 1 8.944 0.012 . 1 . . . . 2234 F H . 17829 1 276 . 1 1 65 65 PHE C C 13 176.746 0.000 . 1 . . . . 2234 F C . 17829 1 277 . 1 1 65 65 PHE CA C 13 61.000 0.000 . 1 . . . . 2234 F CA . 17829 1 278 . 1 1 65 65 PHE CB C 13 40.355 0.071 . 1 . . . . 2234 F CB . 17829 1 279 . 1 1 65 65 PHE N N 15 123.740 0.087 . 1 . . . . 2234 F N . 17829 1 280 . 1 1 66 66 GLN H H 1 8.808 0.014 . 1 . . . . 2235 Q H . 17829 1 281 . 1 1 66 66 GLN C C 13 172.981 0.000 . 1 . . . . 2235 Q C . 17829 1 282 . 1 1 66 66 GLN CA C 13 59.587 0.085 . 1 . . . . 2235 Q CA . 17829 1 283 . 1 1 66 66 GLN CB C 13 26.678 0.030 . 1 . . . . 2235 Q CB . 17829 1 284 . 1 1 66 66 GLN N N 15 111.474 0.102 . 1 . . . . 2235 Q N . 17829 1 285 . 1 1 67 67 LYS H H 1 7.797 0.012 . 1 . . . . 2236 K H . 17829 1 286 . 1 1 67 67 LYS C C 13 173.848 0.000 . 1 . . . . 2236 K C . 17829 1 287 . 1 1 67 67 LYS CA C 13 54.981 0.064 . 1 . . . . 2236 K CA . 17829 1 288 . 1 1 67 67 LYS CB C 13 34.159 0.070 . 1 . . . . 2236 K CB . 17829 1 289 . 1 1 67 67 LYS N N 15 116.211 0.017 . 1 . . . . 2236 K N . 17829 1 290 . 1 1 68 68 THR H H 1 8.337 0.012 . 1 . . . . 2237 T H . 17829 1 291 . 1 1 68 68 THR C C 13 173.290 0.000 . 1 . . . . 2237 T C . 17829 1 292 . 1 1 68 68 THR CA C 13 65.381 0.074 . 1 . . . . 2237 T CA . 17829 1 293 . 1 1 68 68 THR CB C 13 68.841 0.032 . 1 . . . . 2237 T CB . 17829 1 294 . 1 1 68 68 THR N N 15 116.492 0.042 . 1 . . . . 2237 T N . 17829 1 295 . 1 1 69 69 MET H H 1 8.580 0.013 . 1 . . . . 2238 M H . 17829 1 296 . 1 1 69 69 MET CA C 13 52.855 0.062 . 1 . . . . 2238 M CA . 17829 1 297 . 1 1 69 69 MET CB C 13 34.175 0.000 . 1 . . . . 2238 M CB . 17829 1 298 . 1 1 69 69 MET N N 15 127.248 0.078 . 1 . . . . 2238 M N . 17829 1 299 . 1 1 70 70 LYS H H 1 8.358 0.000 . 1 . . . . 2239 K H . 17829 1 300 . 1 1 70 70 LYS C C 13 174.153 0.000 . 1 . . . . 2239 K C . 17829 1 301 . 1 1 70 70 LYS CA C 13 56.201 0.135 . 1 . . . . 2239 K CA . 17829 1 302 . 1 1 70 70 LYS CB C 13 33.611 0.000 . 1 . . . . 2239 K CB . 17829 1 303 . 1 1 70 70 LYS N N 15 122.526 0.000 . 1 . . . . 2239 K N . 17829 1 304 . 1 1 71 71 VAL H H 1 9.322 0.012 . 1 . . . . 2240 V H . 17829 1 305 . 1 1 71 71 VAL C C 13 175.903 0.000 . 1 . . . . 2240 V C . 17829 1 306 . 1 1 71 71 VAL CA C 13 63.016 0.141 . 1 . . . . 2240 V CA . 17829 1 307 . 1 1 71 71 VAL CB C 13 33.719 0.081 . 1 . . . . 2240 V CB . 17829 1 308 . 1 1 71 71 VAL N N 15 127.667 0.034 . 1 . . . . 2240 V N . 17829 1 309 . 1 1 72 72 THR H H 1 9.260 0.014 . 1 . . . . 2241 T H . 17829 1 310 . 1 1 72 72 THR C C 13 176.413 0.000 . 1 . . . . 2241 T C . 17829 1 311 . 1 1 72 72 THR CA C 13 61.178 0.129 . 1 . . . . 2241 T CA . 17829 1 312 . 1 1 72 72 THR CB C 13 70.645 0.052 . 1 . . . . 2241 T CB . 17829 1 313 . 1 1 72 72 THR N N 15 115.976 0.089 . 1 . . . . 2241 T N . 17829 1 314 . 1 1 73 73 GLY H H 1 8.159 0.014 . 1 . . . . 2242 G H . 17829 1 315 . 1 1 73 73 GLY C C 13 170.557 0.000 . 1 . . . . 2242 G C . 17829 1 316 . 1 1 73 73 GLY CA C 13 47.378 0.147 . 1 . . . . 2242 G CA . 17829 1 317 . 1 1 73 73 GLY N N 15 112.592 0.052 . 1 . . . . 2242 G N . 17829 1 318 . 1 1 74 74 VAL H H 1 8.688 0.013 . 1 . . . . 2243 V H . 17829 1 319 . 1 1 74 74 VAL C C 13 172.887 0.000 . 1 . . . . 2243 V C . 17829 1 320 . 1 1 74 74 VAL CA C 13 61.070 0.173 . 1 . . . . 2243 V CA . 17829 1 321 . 1 1 74 74 VAL CB C 13 36.720 0.072 . 1 . . . . 2243 V CB . 17829 1 322 . 1 1 74 74 VAL N N 15 116.788 0.057 . 1 . . . . 2243 V N . 17829 1 323 . 1 1 75 75 THR H H 1 9.004 0.012 . 1 . . . . 2244 T H . 17829 1 324 . 1 1 75 75 THR C C 13 174.683 0.000 . 1 . . . . 2244 T C . 17829 1 325 . 1 1 75 75 THR CA C 13 61.225 0.080 . 1 . . . . 2244 T CA . 17829 1 326 . 1 1 75 75 THR CB C 13 70.057 0.063 . 1 . . . . 2244 T CB . 17829 1 327 . 1 1 75 75 THR N N 15 124.430 0.112 . 1 . . . . 2244 T N . 17829 1 328 . 1 1 76 76 THR H H 1 8.659 0.012 . 1 . . . . 2245 T H . 17829 1 329 . 1 1 76 76 THR C C 13 173.821 0.000 . 1 . . . . 2245 T C . 17829 1 330 . 1 1 76 76 THR CA C 13 60.695 0.203 . 1 . . . . 2245 T CA . 17829 1 331 . 1 1 76 76 THR CB C 13 73.419 0.033 . 1 . . . . 2245 T CB . 17829 1 332 . 1 1 76 76 THR N N 15 113.910 0.047 . 1 . . . . 2245 T N . 17829 1 333 . 1 1 77 77 GLN H H 1 8.979 0.014 . 1 . . . . 2246 Q H . 17829 1 334 . 1 1 77 77 GLN C C 13 175.405 0.000 . 1 . . . . 2246 Q C . 17829 1 335 . 1 1 77 77 GLN CA C 13 55.189 0.156 . 1 . . . . 2246 Q CA . 17829 1 336 . 1 1 77 77 GLN CB C 13 28.293 0.000 . 1 . . . . 2246 Q CB . 17829 1 337 . 1 1 77 77 GLN N N 15 126.548 0.089 . 1 . . . . 2246 Q N . 17829 1 338 . 1 1 78 78 GLY H H 1 8.659 0.016 . 1 . . . . 2247 G H . 17829 1 339 . 1 1 78 78 GLY C C 13 172.470 0.000 . 1 . . . . 2247 G C . 17829 1 340 . 1 1 78 78 GLY CA C 13 44.909 0.122 . 1 . . . . 2247 G CA . 17829 1 341 . 1 1 78 78 GLY N N 15 113.042 0.182 . 1 . . . . 2247 G N . 17829 1 342 . 1 1 79 79 VAL H H 1 9.226 0.017 . 1 . . . . 2248 V H . 17829 1 343 . 1 1 79 79 VAL C C 13 171.763 0.000 . 1 . . . . 2248 V C . 17829 1 344 . 1 1 79 79 VAL CA C 13 63.075 0.088 . 1 . . . . 2248 V CA . 17829 1 345 . 1 1 79 79 VAL CB C 13 36.344 0.009 . 1 . . . . 2248 V CB . 17829 1 346 . 1 1 79 79 VAL N N 15 120.600 0.029 . 1 . . . . 2248 V N . 17829 1 347 . 1 1 80 80 LYS H H 1 8.064 0.012 . 1 . . . . 2249 K H . 17829 1 348 . 1 1 80 80 LYS CA C 13 55.350 0.056 . 1 . . . . 2249 K CA . 17829 1 349 . 1 1 80 80 LYS CB C 13 35.488 0.000 . 1 . . . . 2249 K CB . 17829 1 350 . 1 1 80 80 LYS N N 15 126.366 0.058 . 1 . . . . 2249 K N . 17829 1 351 . 1 1 81 81 SER H H 1 9.235 0.000 . 1 . . . . 2250 S H . 17829 1 352 . 1 1 81 81 SER C C 13 174.337 0.000 . 1 . . . . 2250 S C . 17829 1 353 . 1 1 81 81 SER CA C 13 57.681 0.000 . 1 . . . . 2250 S CA . 17829 1 354 . 1 1 81 81 SER CB C 13 65.237 0.000 . 1 . . . . 2250 S CB . 17829 1 355 . 1 1 81 81 SER N N 15 128.269 0.000 . 1 . . . . 2250 S N . 17829 1 356 . 1 1 82 82 LEU H H 1 9.220 0.014 . 1 . . . . 2251 L H . 17829 1 357 . 1 1 82 82 LEU C C 13 171.237 0.000 . 1 . . . . 2251 L C . 17829 1 358 . 1 1 82 82 LEU CA C 13 57.643 0.088 . 1 . . . . 2251 L CA . 17829 1 359 . 1 1 82 82 LEU CB C 13 42.323 0.000 . 1 . . . . 2251 L CB . 17829 1 360 . 1 1 82 82 LEU N N 15 128.405 0.133 . 1 . . . . 2251 L N . 17829 1 361 . 1 1 83 83 LEU H H 1 8.756 0.008 . 1 . . . . 2252 L H . 17829 1 362 . 1 1 83 83 LEU C C 13 177.450 0.000 . 1 . . . . 2252 L C . 17829 1 363 . 1 1 83 83 LEU CA C 13 56.286 0.000 . 1 . . . . 2252 L CA . 17829 1 364 . 1 1 83 83 LEU CB C 13 41.973 0.016 . 1 . . . . 2252 L CB . 17829 1 365 . 1 1 83 83 LEU N N 15 118.603 0.067 . 1 . . . . 2252 L N . 17829 1 366 . 1 1 84 84 THR H H 1 8.137 0.011 . 1 . . . . 2253 T H . 17829 1 367 . 1 1 84 84 THR C C 13 176.076 0.000 . 1 . . . . 2253 T C . 17829 1 368 . 1 1 84 84 THR CA C 13 63.023 0.017 . 1 . . . . 2253 T CA . 17829 1 369 . 1 1 84 84 THR CB C 13 70.682 0.000 . 1 . . . . 2253 T CB . 17829 1 370 . 1 1 84 84 THR N N 15 118.176 0.028 . 1 . . . . 2253 T N . 17829 1 371 . 1 1 85 85 SER H H 1 8.404 0.020 . 1 . . . . 2254 S H . 17829 1 372 . 1 1 85 85 SER C C 13 173.026 0.000 . 1 . . . . 2254 S C . 17829 1 373 . 1 1 85 85 SER CA C 13 59.776 0.153 . 1 . . . . 2254 S CA . 17829 1 374 . 1 1 85 85 SER CB C 13 64.938 0.051 . 1 . . . . 2254 S CB . 17829 1 375 . 1 1 85 85 SER N N 15 122.037 0.042 . 1 . . . . 2254 S N . 17829 1 376 . 1 1 86 86 MET H H 1 8.818 0.013 . 1 . . . . 2255 M H . 17829 1 377 . 1 1 86 86 MET C C 13 173.997 0.000 . 1 . . . . 2255 M C . 17829 1 378 . 1 1 86 86 MET CA C 13 55.695 0.034 . 1 . . . . 2255 M CA . 17829 1 379 . 1 1 86 86 MET CB C 13 36.070 0.015 . 1 . . . . 2255 M CB . 17829 1 380 . 1 1 86 86 MET N N 15 124.193 0.043 . 1 . . . . 2255 M N . 17829 1 381 . 1 1 87 87 TYR H H 1 7.544 0.013 . 1 . . . . 2256 Y H . 17829 1 382 . 1 1 87 87 TYR C C 13 172.942 0.000 . 1 . . . . 2256 Y C . 17829 1 383 . 1 1 87 87 TYR CA C 13 57.211 0.162 . 1 . . . . 2256 Y CA . 17829 1 384 . 1 1 87 87 TYR CB C 13 39.204 0.178 . 1 . . . . 2256 Y CB . 17829 1 385 . 1 1 87 87 TYR N N 15 115.921 0.065 . 1 . . . . 2256 Y N . 17829 1 386 . 1 1 88 88 VAL H H 1 9.990 0.013 . 1 . . . . 2257 V H . 17829 1 387 . 1 1 88 88 VAL C C 13 175.147 0.000 . 1 . . . . 2257 V C . 17829 1 388 . 1 1 88 88 VAL CA C 13 63.784 0.087 . 1 . . . . 2257 V CA . 17829 1 389 . 1 1 88 88 VAL CB C 13 33.086 0.076 . 1 . . . . 2257 V CB . 17829 1 390 . 1 1 88 88 VAL N N 15 121.909 0.040 . 1 . . . . 2257 V N . 17829 1 391 . 1 1 89 89 LYS H H 1 8.782 0.011 . 1 . . . . 2258 K H . 17829 1 392 . 1 1 89 89 LYS C C 13 177.804 0.000 . 1 . . . . 2258 K C . 17829 1 393 . 1 1 89 89 LYS CA C 13 58.521 0.098 . 1 . . . . 2258 K CA . 17829 1 394 . 1 1 89 89 LYS CB C 13 34.964 0.113 . 1 . . . . 2258 K CB . 17829 1 395 . 1 1 89 89 LYS N N 15 128.384 0.039 . 1 . . . . 2258 K N . 17829 1 396 . 1 1 90 90 GLU H H 1 7.616 0.010 . 1 . . . . 2259 E H . 17829 1 397 . 1 1 90 90 GLU C C 13 176.084 0.000 . 1 . . . . 2259 E C . 17829 1 398 . 1 1 90 90 GLU CA C 13 55.483 0.106 . 1 . . . . 2259 E CA . 17829 1 399 . 1 1 90 90 GLU CB C 13 36.392 0.078 . 1 . . . . 2259 E CB . 17829 1 400 . 1 1 90 90 GLU N N 15 118.314 0.049 . 1 . . . . 2259 E N . 17829 1 401 . 1 1 91 91 PHE H H 1 8.702 0.014 . 1 . . . . 2260 F H . 17829 1 402 . 1 1 91 91 PHE C C 13 173.944 0.000 . 1 . . . . 2260 F C . 17829 1 403 . 1 1 91 91 PHE CA C 13 57.218 0.008 . 1 . . . . 2260 F CA . 17829 1 404 . 1 1 91 91 PHE CB C 13 42.338 0.000 . 1 . . . . 2260 F CB . 17829 1 405 . 1 1 91 91 PHE N N 15 118.407 0.070 . 1 . . . . 2260 F N . 17829 1 406 . 1 1 92 92 LEU H H 1 8.441 0.013 . 1 . . . . 2261 L H . 17829 1 407 . 1 1 92 92 LEU C C 13 176.554 0.000 . 1 . . . . 2261 L C . 17829 1 408 . 1 1 92 92 LEU CA C 13 53.111 0.152 . 1 . . . . 2261 L CA . 17829 1 409 . 1 1 92 92 LEU CB C 13 44.017 0.037 . 1 . . . . 2261 L CB . 17829 1 410 . 1 1 92 92 LEU N N 15 122.783 0.037 . 1 . . . . 2261 L N . 17829 1 411 . 1 1 93 93 ILE H H 1 9.615 0.014 . 1 . . . . 2262 I H . 17829 1 412 . 1 1 93 93 ILE C C 13 175.108 0.000 . 1 . . . . 2262 I C . 17829 1 413 . 1 1 93 93 ILE CA C 13 59.814 0.120 . 1 . . . . 2262 I CA . 17829 1 414 . 1 1 93 93 ILE CB C 13 41.800 0.100 . 1 . . . . 2262 I CB . 17829 1 415 . 1 1 93 93 ILE N N 15 122.541 0.069 . 1 . . . . 2262 I N . 17829 1 416 . 1 1 94 94 SER H H 1 9.333 0.012 . 1 . . . . 2263 S H . 17829 1 417 . 1 1 94 94 SER C C 13 172.969 0.000 . 1 . . . . 2263 S C . 17829 1 418 . 1 1 94 94 SER CA C 13 58.594 0.129 . 1 . . . . 2263 S CA . 17829 1 419 . 1 1 94 94 SER CB C 13 67.644 0.073 . 1 . . . . 2263 S CB . 17829 1 420 . 1 1 94 94 SER N N 15 119.989 0.050 . 1 . . . . 2263 S N . 17829 1 421 . 1 1 95 95 SER H H 1 8.906 0.012 . 1 . . . . 2264 S H . 17829 1 422 . 1 1 95 95 SER C C 13 172.968 0.000 . 1 . . . . 2264 S C . 17829 1 423 . 1 1 95 95 SER CA C 13 57.903 0.116 . 1 . . . . 2264 S CA . 17829 1 424 . 1 1 95 95 SER CB C 13 67.350 0.016 . 1 . . . . 2264 S CB . 17829 1 425 . 1 1 95 95 SER N N 15 113.026 0.042 . 1 . . . . 2264 S N . 17829 1 426 . 1 1 96 96 SER H H 1 7.450 0.013 . 1 . . . . 2265 S H . 17829 1 427 . 1 1 96 96 SER C C 13 173.350 0.000 . 1 . . . . 2265 S C . 17829 1 428 . 1 1 96 96 SER CA C 13 57.849 0.045 . 1 . . . . 2265 S CA . 17829 1 429 . 1 1 96 96 SER CB C 13 64.415 0.176 . 1 . . . . 2265 S CB . 17829 1 430 . 1 1 96 96 SER N N 15 112.021 0.075 . 1 . . . . 2265 S N . 17829 1 431 . 1 1 97 97 GLN H H 1 9.001 0.022 . 1 . . . . 2266 Q H . 17829 1 432 . 1 1 97 97 GLN C C 13 176.246 0.000 . 1 . . . . 2266 Q C . 17829 1 433 . 1 1 97 97 GLN CA C 13 56.114 0.119 . 1 . . . . 2266 Q CA . 17829 1 434 . 1 1 97 97 GLN CB C 13 29.550 0.057 . 1 . . . . 2266 Q CB . 17829 1 435 . 1 1 97 97 GLN N N 15 124.161 0.138 . 1 . . . . 2266 Q N . 17829 1 436 . 1 1 98 98 ASP H H 1 7.816 0.008 . 1 . . . . 2267 D H . 17829 1 437 . 1 1 98 98 ASP C C 13 176.566 0.000 . 1 . . . . 2267 D C . 17829 1 438 . 1 1 98 98 ASP CA C 13 53.546 0.000 . 1 . . . . 2267 D CA . 17829 1 439 . 1 1 98 98 ASP CB C 13 42.751 0.097 . 1 . . . . 2267 D CB . 17829 1 440 . 1 1 98 98 ASP N N 15 116.520 0.057 . 1 . . . . 2267 D N . 17829 1 441 . 1 1 99 99 GLY H H 1 7.892 0.014 . 1 . . . . 2268 G H . 17829 1 442 . 1 1 99 99 GLY CA C 13 45.311 0.064 . 1 . . . . 2268 G CA . 17829 1 443 . 1 1 99 99 GLY N N 15 112.737 0.074 . 1 . . . . 2268 G N . 17829 1 444 . 1 1 100 100 HIS H H 1 8.184 0.001 . 1 . . . . 2269 H H . 17829 1 445 . 1 1 100 100 HIS C C 13 173.915 0.000 . 1 . . . . 2269 H C . 17829 1 446 . 1 1 100 100 HIS CA C 13 57.222 0.000 . 1 . . . . 2269 H CA . 17829 1 447 . 1 1 100 100 HIS CB C 13 32.198 0.000 . 1 . . . . 2269 H CB . 17829 1 448 . 1 1 100 100 HIS N N 15 119.636 0.044 . 1 . . . . 2269 H N . 17829 1 449 . 1 1 101 101 GLN H H 1 9.019 0.020 . 1 . . . . 2270 Q H . 17829 1 450 . 1 1 101 101 GLN C C 13 175.949 0.000 . 1 . . . . 2270 Q C . 17829 1 451 . 1 1 101 101 GLN CA C 13 55.746 0.148 . 1 . . . . 2270 Q CA . 17829 1 452 . 1 1 101 101 GLN CB C 13 30.084 0.000 . 1 . . . . 2270 Q CB . 17829 1 453 . 1 1 101 101 GLN N N 15 122.294 0.112 . 1 . . . . 2270 Q N . 17829 1 454 . 1 1 102 102 TRP H H 1 9.103 0.013 . 1 . . . . 2271 W H . 17829 1 455 . 1 1 102 102 TRP C C 13 176.094 0.000 . 1 . . . . 2271 W C . 17829 1 456 . 1 1 102 102 TRP CA C 13 57.527 0.148 . 1 . . . . 2271 W CA . 17829 1 457 . 1 1 102 102 TRP CB C 13 32.320 0.146 . 1 . . . . 2271 W CB . 17829 1 458 . 1 1 102 102 TRP N N 15 131.208 0.027 . 1 . . . . 2271 W N . 17829 1 459 . 1 1 103 103 THR H H 1 9.235 0.003 . 1 . . . . 2272 T H . 17829 1 460 . 1 1 103 103 THR C C 13 175.382 0.000 . 1 . . . . 2272 T C . 17829 1 461 . 1 1 103 103 THR CA C 13 61.924 0.204 . 1 . . . . 2272 T CA . 17829 1 462 . 1 1 103 103 THR CB C 13 71.589 0.077 . 1 . . . . 2272 T CB . 17829 1 463 . 1 1 103 103 THR N N 15 119.821 0.128 . 1 . . . . 2272 T N . 17829 1 464 . 1 1 104 104 LEU H H 1 9.144 0.013 . 1 . . . . 2273 L H . 17829 1 465 . 1 1 104 104 LEU C C 13 175.824 0.000 . 1 . . . . 2273 L C . 17829 1 466 . 1 1 104 104 LEU CA C 13 56.301 0.079 . 1 . . . . 2273 L CA . 17829 1 467 . 1 1 104 104 LEU CB C 13 44.299 0.033 . 1 . . . . 2273 L CB . 17829 1 468 . 1 1 104 104 LEU N N 15 133.455 0.061 . 1 . . . . 2273 L N . 17829 1 469 . 1 1 105 105 PHE H H 1 9.174 0.012 . 1 . . . . 2274 F H . 17829 1 470 . 1 1 105 105 PHE C C 13 175.322 0.000 . 1 . . . . 2274 F C . 17829 1 471 . 1 1 105 105 PHE CA C 13 61.104 0.180 . 1 . . . . 2274 F CA . 17829 1 472 . 1 1 105 105 PHE CB C 13 39.944 0.070 . 1 . . . . 2274 F CB . 17829 1 473 . 1 1 105 105 PHE N N 15 123.747 0.056 . 1 . . . . 2274 F N . 17829 1 474 . 1 1 106 106 PHE H H 1 8.079 0.011 . 1 . . . . 2275 F H . 17829 1 475 . 1 1 106 106 PHE C C 13 174.848 0.000 . 1 . . . . 2275 F C . 17829 1 476 . 1 1 106 106 PHE CA C 13 56.543 0.090 . 1 . . . . 2275 F CA . 17829 1 477 . 1 1 106 106 PHE CB C 13 42.910 0.023 . 1 . . . . 2275 F CB . 17829 1 478 . 1 1 106 106 PHE N N 15 132.037 0.044 . 1 . . . . 2275 F N . 17829 1 479 . 1 1 107 107 GLN H H 1 8.860 0.013 . 1 . . . . 2276 Q H . 17829 1 480 . 1 1 107 107 GLN C C 13 172.622 0.000 . 1 . . . . 2276 Q C . 17829 1 481 . 1 1 107 107 GLN CA C 13 56.537 0.035 . 1 . . . . 2276 Q CA . 17829 1 482 . 1 1 107 107 GLN CB C 13 33.326 0.000 . 1 . . . . 2276 Q CB . 17829 1 483 . 1 1 107 107 GLN N N 15 117.981 0.060 . 1 . . . . 2276 Q N . 17829 1 484 . 1 1 108 108 ASN H H 1 8.170 0.010 . 1 . . . . 2277 N H . 17829 1 485 . 1 1 108 108 ASN C C 13 175.412 0.000 . 1 . . . . 2277 N C . 17829 1 486 . 1 1 108 108 ASN CA C 13 55.406 0.013 . 1 . . . . 2277 N CA . 17829 1 487 . 1 1 108 108 ASN CB C 13 37.615 0.050 . 1 . . . . 2277 N CB . 17829 1 488 . 1 1 108 108 ASN N N 15 119.553 0.014 . 1 . . . . 2277 N N . 17829 1 489 . 1 1 109 109 GLY H H 1 8.771 0.014 . 1 . . . . 2278 G H . 17829 1 490 . 1 1 109 109 GLY C C 13 173.300 0.000 . 1 . . . . 2278 G C . 17829 1 491 . 1 1 109 109 GLY CA C 13 46.600 0.096 . 1 . . . . 2278 G CA . 17829 1 492 . 1 1 109 109 GLY N N 15 103.672 0.058 . 1 . . . . 2278 G N . 17829 1 493 . 1 1 110 110 LYS H H 1 7.412 0.012 . 1 . . . . 2279 K H . 17829 1 494 . 1 1 110 110 LYS CA C 13 54.487 0.025 . 1 . . . . 2279 K CA . 17829 1 495 . 1 1 110 110 LYS CB C 13 36.426 0.000 . 1 . . . . 2279 K CB . 17829 1 496 . 1 1 110 110 LYS N N 15 119.739 0.036 . 1 . . . . 2279 K N . 17829 1 497 . 1 1 111 111 VAL C C 13 175.245 0.000 . 1 . . . . 2280 V C . 17829 1 498 . 1 1 111 111 VAL CA C 13 64.439 0.088 . 1 . . . . 2280 V CA . 17829 1 499 . 1 1 111 111 VAL CB C 13 32.277 0.027 . 1 . . . . 2280 V CB . 17829 1 500 . 1 1 112 112 LYS H H 1 8.348 0.013 . 1 . . . . 2281 K H . 17829 1 501 . 1 1 112 112 LYS C C 13 173.758 0.000 . 1 . . . . 2281 K C . 17829 1 502 . 1 1 112 112 LYS CA C 13 56.128 0.159 . 1 . . . . 2281 K CA . 17829 1 503 . 1 1 112 112 LYS CB C 13 34.155 0.164 . 1 . . . . 2281 K CB . 17829 1 504 . 1 1 112 112 LYS N N 15 130.442 0.055 . 1 . . . . 2281 K N . 17829 1 505 . 1 1 113 113 VAL H H 1 8.257 0.012 . 1 . . . . 2282 V H . 17829 1 506 . 1 1 113 113 VAL C C 13 176.308 0.000 . 1 . . . . 2282 V C . 17829 1 507 . 1 1 113 113 VAL CA C 13 62.342 0.161 . 1 . . . . 2282 V CA . 17829 1 508 . 1 1 113 113 VAL CB C 13 31.186 0.100 . 1 . . . . 2282 V CB . 17829 1 509 . 1 1 113 113 VAL N N 15 128.775 0.080 . 1 . . . . 2282 V N . 17829 1 510 . 1 1 114 114 PHE H H 1 8.892 0.012 . 1 . . . . 2283 F H . 17829 1 511 . 1 1 114 114 PHE C C 13 175.544 0.000 . 1 . . . . 2283 F C . 17829 1 512 . 1 1 114 114 PHE CA C 13 59.028 0.103 . 1 . . . . 2283 F CA . 17829 1 513 . 1 1 114 114 PHE CB C 13 38.650 0.116 . 1 . . . . 2283 F CB . 17829 1 514 . 1 1 114 114 PHE N N 15 129.526 0.041 . 1 . . . . 2283 F N . 17829 1 515 . 1 1 115 115 GLN H H 1 8.982 0.013 . 1 . . . . 2284 Q H . 17829 1 516 . 1 1 115 115 GLN C C 13 175.524 0.000 . 1 . . . . 2284 Q C . 17829 1 517 . 1 1 115 115 GLN CA C 13 56.114 0.123 . 1 . . . . 2284 Q CA . 17829 1 518 . 1 1 115 115 GLN CB C 13 29.026 0.084 . 1 . . . . 2284 Q CB . 17829 1 519 . 1 1 115 115 GLN N N 15 122.183 0.126 . 1 . . . . 2284 Q N . 17829 1 520 . 1 1 116 116 GLY H H 1 8.646 0.012 . 1 . . . . 2285 G H . 17829 1 521 . 1 1 116 116 GLY C C 13 172.426 0.000 . 1 . . . . 2285 G C . 17829 1 522 . 1 1 116 116 GLY CA C 13 44.922 0.022 . 1 . . . . 2285 G CA . 17829 1 523 . 1 1 116 116 GLY N N 15 115.131 0.075 . 1 . . . . 2285 G N . 17829 1 524 . 1 1 117 117 ASN H H 1 8.077 0.014 . 1 . . . . 2286 N H . 17829 1 525 . 1 1 117 117 ASN C C 13 172.530 0.000 . 1 . . . . 2286 N C . 17829 1 526 . 1 1 117 117 ASN CA C 13 57.346 0.130 . 1 . . . . 2286 N CA . 17829 1 527 . 1 1 117 117 ASN CB C 13 43.189 0.168 . 1 . . . . 2286 N CB . 17829 1 528 . 1 1 117 117 ASN N N 15 118.876 0.034 . 1 . . . . 2286 N N . 17829 1 529 . 1 1 118 118 GLN H H 1 8.525 0.009 . 1 . . . . 2287 Q H . 17829 1 530 . 1 1 118 118 GLN C C 13 173.043 0.000 . 1 . . . . 2287 Q C . 17829 1 531 . 1 1 118 118 GLN CA C 13 55.373 0.176 . 1 . . . . 2287 Q CA . 17829 1 532 . 1 1 118 118 GLN CB C 13 31.193 0.146 . 1 . . . . 2287 Q CB . 17829 1 533 . 1 1 118 118 GLN N N 15 115.032 0.073 . 1 . . . . 2287 Q N . 17829 1 534 . 1 1 119 119 ASP H H 1 6.840 0.012 . 1 . . . . 2288 D H . 17829 1 535 . 1 1 119 119 ASP C C 13 175.711 0.000 . 1 . . . . 2288 D C . 17829 1 536 . 1 1 119 119 ASP CA C 13 53.395 0.149 . 1 . . . . 2288 D CA . 17829 1 537 . 1 1 119 119 ASP CB C 13 41.512 0.121 . 1 . . . . 2288 D CB . 17829 1 538 . 1 1 119 119 ASP N N 15 116.907 0.025 . 1 . . . . 2288 D N . 17829 1 539 . 1 1 120 120 SER H H 1 8.180 0.011 . 1 . . . . 2289 S H . 17829 1 540 . 1 1 120 120 SER C C 13 172.443 0.000 . 1 . . . . 2289 S C . 17829 1 541 . 1 1 120 120 SER CA C 13 60.219 0.098 . 1 . . . . 2289 S CA . 17829 1 542 . 1 1 120 120 SER CB C 13 65.810 0.231 . 1 . . . . 2289 S CB . 17829 1 543 . 1 1 120 120 SER N N 15 109.289 0.070 . 1 . . . . 2289 S N . 17829 1 544 . 1 1 121 121 PHE H H 1 7.143 0.008 . 1 . . . . 2290 F H . 17829 1 545 . 1 1 121 121 PHE C C 13 176.030 0.000 . 1 . . . . 2290 F C . 17829 1 546 . 1 1 121 121 PHE CA C 13 57.600 0.148 . 1 . . . . 2290 F CA . 17829 1 547 . 1 1 121 121 PHE CB C 13 42.445 0.155 . 1 . . . . 2290 F CB . 17829 1 548 . 1 1 121 121 PHE N N 15 116.595 0.087 . 1 . . . . 2290 F N . 17829 1 549 . 1 1 122 122 THR H H 1 9.757 0.012 . 1 . . . . 2291 T H . 17829 1 550 . 1 1 122 122 THR CA C 13 63.567 0.052 . 1 . . . . 2291 T CA . 17829 1 551 . 1 1 122 122 THR CB C 13 68.781 0.000 . 1 . . . . 2291 T CB . 17829 1 552 . 1 1 122 122 THR N N 15 130.204 0.053 . 1 . . . . 2291 T N . 17829 1 553 . 1 1 123 123 PRO C C 13 176.242 0.000 . 1 . . . . 2292 P C . 17829 1 554 . 1 1 123 123 PRO CB C 13 32.549 0.105 . 1 . . . . 2292 P CB . 17829 1 555 . 1 1 124 124 VAL H H 1 8.594 0.012 . 1 . . . . 2293 V H . 17829 1 556 . 1 1 124 124 VAL C C 13 175.033 0.000 . 1 . . . . 2293 V C . 17829 1 557 . 1 1 124 124 VAL CA C 13 62.406 0.000 . 1 . . . . 2293 V CA . 17829 1 558 . 1 1 124 124 VAL CB C 13 35.491 0.064 . 1 . . . . 2293 V CB . 17829 1 559 . 1 1 124 124 VAL N N 15 125.357 0.138 . 1 . . . . 2293 V N . 17829 1 560 . 1 1 125 125 VAL H H 1 9.032 0.013 . 1 . . . . 2294 V H . 17829 1 561 . 1 1 125 125 VAL C C 13 175.929 0.000 . 1 . . . . 2294 V C . 17829 1 562 . 1 1 125 125 VAL CA C 13 62.560 0.178 . 1 . . . . 2294 V CA . 17829 1 563 . 1 1 125 125 VAL CB C 13 33.316 0.075 . 1 . . . . 2294 V CB . 17829 1 564 . 1 1 125 125 VAL N N 15 132.215 0.035 . 1 . . . . 2294 V N . 17829 1 565 . 1 1 126 126 ASN H H 1 9.564 0.012 . 1 . . . . 2295 N H . 17829 1 566 . 1 1 126 126 ASN C C 13 174.374 0.000 . 1 . . . . 2295 N C . 17829 1 567 . 1 1 126 126 ASN CA C 13 53.228 0.096 . 1 . . . . 2295 N CA . 17829 1 568 . 1 1 126 126 ASN CB C 13 44.040 0.047 . 1 . . . . 2295 N CB . 17829 1 569 . 1 1 126 126 ASN N N 15 129.231 0.067 . 1 . . . . 2295 N N . 17829 1 570 . 1 1 127 127 SER H H 1 8.821 0.012 . 1 . . . . 2296 S H . 17829 1 571 . 1 1 127 127 SER C C 13 173.820 0.000 . 1 . . . . 2296 S C . 17829 1 572 . 1 1 127 127 SER CA C 13 59.199 0.167 . 1 . . . . 2296 S CA . 17829 1 573 . 1 1 127 127 SER CB C 13 64.973 0.246 . 1 . . . . 2296 S CB . 17829 1 574 . 1 1 127 127 SER N N 15 119.642 0.070 . 1 . . . . 2296 S N . 17829 1 575 . 1 1 128 128 LEU H H 1 8.104 0.012 . 1 . . . . 2297 L H . 17829 1 576 . 1 1 128 128 LEU CA C 13 59.295 0.000 . 1 . . . . 2297 L CA . 17829 1 577 . 1 1 128 128 LEU CB C 13 42.180 0.000 . 1 . . . . 2297 L CB . 17829 1 578 . 1 1 128 128 LEU N N 15 127.203 0.175 . 1 . . . . 2297 L N . 17829 1 579 . 1 1 129 129 ASP H H 1 7.916 0.000 . 1 . . . . 2298 D H . 17829 1 580 . 1 1 129 129 ASP N N 15 123.326 0.000 . 1 . . . . 2298 D N . 17829 1 581 . 1 1 131 131 PRO C C 13 176.423 0.000 . 1 . . . . 2300 P C . 17829 1 582 . 1 1 131 131 PRO CA C 13 63.374 0.068 . 1 . . . . 2300 P CA . 17829 1 583 . 1 1 131 131 PRO CB C 13 33.672 0.000 . 1 . . . . 2300 P CB . 17829 1 584 . 1 1 132 132 LEU H H 1 8.349 0.014 . 1 . . . . 2301 L H . 17829 1 585 . 1 1 132 132 LEU C C 13 175.581 0.000 . 1 . . . . 2301 L C . 17829 1 586 . 1 1 132 132 LEU CA C 13 54.073 0.180 . 1 . . . . 2301 L CA . 17829 1 587 . 1 1 132 132 LEU CB C 13 46.740 0.058 . 1 . . . . 2301 L CB . 17829 1 588 . 1 1 132 132 LEU N N 15 122.070 0.055 . 1 . . . . 2301 L N . 17829 1 589 . 1 1 133 133 LEU H H 1 8.418 0.012 . 1 . . . . 2302 L H . 17829 1 590 . 1 1 133 133 LEU C C 13 176.610 0.000 . 1 . . . . 2302 L C . 17829 1 591 . 1 1 133 133 LEU CA C 13 54.020 0.110 . 1 . . . . 2302 L CA . 17829 1 592 . 1 1 133 133 LEU CB C 13 41.581 0.041 . 1 . . . . 2302 L CB . 17829 1 593 . 1 1 133 133 LEU N N 15 127.182 0.049 . 1 . . . . 2302 L N . 17829 1 594 . 1 1 134 134 THR H H 1 9.102 0.012 . 1 . . . . 2303 T H . 17829 1 595 . 1 1 134 134 THR C C 13 171.224 0.000 . 1 . . . . 2303 T C . 17829 1 596 . 1 1 134 134 THR CA C 13 61.364 0.125 . 1 . . . . 2303 T CA . 17829 1 597 . 1 1 134 134 THR CB C 13 70.473 0.078 . 1 . . . . 2303 T CB . 17829 1 598 . 1 1 134 134 THR N N 15 118.464 0.044 . 1 . . . . 2303 T N . 17829 1 599 . 1 1 135 135 ARG H H 1 7.524 0.011 . 1 . . . . 2304 R H . 17829 1 600 . 1 1 135 135 ARG C C 13 172.983 0.000 . 1 . . . . 2304 R C . 17829 1 601 . 1 1 135 135 ARG CA C 13 57.789 0.055 . 1 . . . . 2304 R CA . 17829 1 602 . 1 1 135 135 ARG CB C 13 32.081 0.165 . 1 . . . . 2304 R CB . 17829 1 603 . 1 1 135 135 ARG N N 15 127.683 0.118 . 1 . . . . 2304 R N . 17829 1 604 . 1 1 136 136 TYR H H 1 8.181 0.011 . 1 . . . . 2305 Y H . 17829 1 605 . 1 1 136 136 TYR C C 13 176.593 0.000 . 1 . . . . 2305 Y C . 17829 1 606 . 1 1 136 136 TYR CA C 13 56.443 0.106 . 1 . . . . 2305 Y CA . 17829 1 607 . 1 1 136 136 TYR CB C 13 43.712 0.090 . 1 . . . . 2305 Y CB . 17829 1 608 . 1 1 136 136 TYR N N 15 114.400 0.071 . 1 . . . . 2305 Y N . 17829 1 609 . 1 1 137 137 LEU H H 1 8.933 0.010 . 1 . . . . 2306 L H . 17829 1 610 . 1 1 137 137 LEU C C 13 174.365 0.000 . 1 . . . . 2306 L C . 17829 1 611 . 1 1 137 137 LEU CA C 13 54.762 0.043 . 1 . . . . 2306 L CA . 17829 1 612 . 1 1 137 137 LEU CB C 13 40.797 0.000 . 1 . . . . 2306 L CB . 17829 1 613 . 1 1 137 137 LEU N N 15 125.193 0.102 . 1 . . . . 2306 L N . 17829 1 614 . 1 1 138 138 ARG H H 1 9.352 0.014 . 1 . . . . 2307 R H . 17829 1 615 . 1 1 138 138 ARG C C 13 174.319 0.000 . 1 . . . . 2307 R C . 17829 1 616 . 1 1 138 138 ARG CA C 13 55.338 0.176 . 1 . . . . 2307 R CA . 17829 1 617 . 1 1 138 138 ARG CB C 13 35.551 0.050 . 1 . . . . 2307 R CB . 17829 1 618 . 1 1 138 138 ARG N N 15 125.892 0.053 . 1 . . . . 2307 R N . 17829 1 619 . 1 1 139 139 ILE H H 1 8.657 0.011 . 1 . . . . 2308 I H . 17829 1 620 . 1 1 139 139 ILE CA C 13 57.080 0.000 . 1 . . . . 2308 I CA . 17829 1 621 . 1 1 139 139 ILE CB C 13 40.744 0.000 . 1 . . . . 2308 I CB . 17829 1 622 . 1 1 139 139 ILE N N 15 120.112 0.160 . 1 . . . . 2308 I N . 17829 1 623 . 1 1 141 141 PRO C C 13 174.883 0.000 . 1 . . . . 2310 P C . 17829 1 624 . 1 1 141 141 PRO CA C 13 64.466 0.113 . 1 . . . . 2310 P CA . 17829 1 625 . 1 1 141 141 PRO CB C 13 33.149 0.000 . 1 . . . . 2310 P CB . 17829 1 626 . 1 1 142 142 GLN H H 1 9.359 0.014 . 1 . . . . 2311 Q H . 17829 1 627 . 1 1 142 142 GLN C C 13 174.875 0.000 . 1 . . . . 2311 Q C . 17829 1 628 . 1 1 142 142 GLN CA C 13 56.614 0.062 . 1 . . . . 2311 Q CA . 17829 1 629 . 1 1 142 142 GLN CB C 13 32.635 0.051 . 1 . . . . 2311 Q CB . 17829 1 630 . 1 1 142 142 GLN N N 15 122.028 0.047 . 1 . . . . 2311 Q N . 17829 1 631 . 1 1 143 143 SER H H 1 7.936 0.012 . 1 . . . . 2312 S H . 17829 1 632 . 1 1 143 143 SER C C 13 174.523 0.000 . 1 . . . . 2312 S C . 17829 1 633 . 1 1 143 143 SER CA C 13 58.341 0.083 . 1 . . . . 2312 S CA . 17829 1 634 . 1 1 143 143 SER CB C 13 65.180 0.085 . 1 . . . . 2312 S CB . 17829 1 635 . 1 1 143 143 SER N N 15 111.601 0.075 . 1 . . . . 2312 S N . 17829 1 636 . 1 1 144 144 TRP H H 1 8.052 0.012 . 1 . . . . 2313 W H . 17829 1 637 . 1 1 144 144 TRP CA C 13 57.293 0.095 . 1 . . . . 2313 W CA . 17829 1 638 . 1 1 144 144 TRP CB C 13 31.143 0.000 . 1 . . . . 2313 W CB . 17829 1 639 . 1 1 144 144 TRP N N 15 121.891 0.039 . 1 . . . . 2313 W N . 17829 1 640 . 1 1 145 145 VAL C C 13 175.788 0.000 . 1 . . . . 2314 V C . 17829 1 641 . 1 1 145 145 VAL CA C 13 63.371 0.144 . 1 . . . . 2314 V CA . 17829 1 642 . 1 1 145 145 VAL CB C 13 32.161 0.080 . 1 . . . . 2314 V CB . 17829 1 643 . 1 1 146 146 HIS H H 1 8.783 0.017 . 1 . . . . 2315 H H . 17829 1 644 . 1 1 146 146 HIS C C 13 175.193 0.000 . 1 . . . . 2315 H C . 17829 1 645 . 1 1 146 146 HIS CA C 13 62.761 0.199 . 1 . . . . 2315 H CA . 17829 1 646 . 1 1 146 146 HIS CB C 13 28.251 0.196 . 1 . . . . 2315 H CB . 17829 1 647 . 1 1 146 146 HIS N N 15 119.554 0.145 . 1 . . . . 2315 H N . 17829 1 648 . 1 1 147 147 GLN H H 1 9.251 0.019 . 1 . . . . 2316 Q H . 17829 1 649 . 1 1 147 147 GLN C C 13 173.312 0.000 . 1 . . . . 2316 Q C . 17829 1 650 . 1 1 147 147 GLN CA C 13 54.352 0.097 . 1 . . . . 2316 Q CA . 17829 1 651 . 1 1 147 147 GLN CB C 13 32.740 0.000 . 1 . . . . 2316 Q CB . 17829 1 652 . 1 1 147 147 GLN N N 15 119.855 0.088 . 1 . . . . 2316 Q N . 17829 1 653 . 1 1 148 148 ILE H H 1 6.575 0.013 . 1 . . . . 2317 I H . 17829 1 654 . 1 1 148 148 ILE C C 13 173.499 0.000 . 1 . . . . 2317 I C . 17829 1 655 . 1 1 148 148 ILE CA C 13 63.654 0.064 . 1 . . . . 2317 I CA . 17829 1 656 . 1 1 148 148 ILE CB C 13 37.240 0.039 . 1 . . . . 2317 I CB . 17829 1 657 . 1 1 148 148 ILE N N 15 118.845 0.033 . 1 . . . . 2317 I N . 17829 1 658 . 1 1 149 149 ALA H H 1 5.928 0.012 . 1 . . . . 2318 A H . 17829 1 659 . 1 1 149 149 ALA C C 13 175.796 0.000 . 1 . . . . 2318 A C . 17829 1 660 . 1 1 149 149 ALA CA C 13 51.492 0.070 . 1 . . . . 2318 A CA . 17829 1 661 . 1 1 149 149 ALA CB C 13 23.714 0.065 . 1 . . . . 2318 A CB . 17829 1 662 . 1 1 149 149 ALA N N 15 126.921 0.038 . 1 . . . . 2318 A N . 17829 1 663 . 1 1 150 150 LEU H H 1 8.488 0.012 . 1 . . . . 2319 L H . 17829 1 664 . 1 1 150 150 LEU C C 13 174.818 0.000 . 1 . . . . 2319 L C . 17829 1 665 . 1 1 150 150 LEU CA C 13 54.954 0.107 . 1 . . . . 2319 L CA . 17829 1 666 . 1 1 150 150 LEU CB C 13 50.456 0.132 . 1 . . . . 2319 L CB . 17829 1 667 . 1 1 150 150 LEU N N 15 119.708 0.037 . 1 . . . . 2319 L N . 17829 1 668 . 1 1 151 151 ARG H H 1 8.563 0.012 . 1 . . . . 2320 R H . 17829 1 669 . 1 1 151 151 ARG C C 13 174.877 0.000 . 1 . . . . 2320 R C . 17829 1 670 . 1 1 151 151 ARG CA C 13 57.227 0.071 . 1 . . . . 2320 R CA . 17829 1 671 . 1 1 151 151 ARG CB C 13 36.108 0.112 . 1 . . . . 2320 R CB . 17829 1 672 . 1 1 151 151 ARG N N 15 122.970 0.078 . 1 . . . . 2320 R N . 17829 1 673 . 1 1 152 152 MET H H 1 7.727 0.013 . 1 . . . . 2321 M H . 17829 1 674 . 1 1 152 152 MET C C 13 173.910 0.000 . 1 . . . . 2321 M C . 17829 1 675 . 1 1 152 152 MET CA C 13 55.846 0.159 . 1 . . . . 2321 M CA . 17829 1 676 . 1 1 152 152 MET CB C 13 38.471 0.185 . 1 . . . . 2321 M CB . 17829 1 677 . 1 1 152 152 MET N N 15 118.491 0.154 . 1 . . . . 2321 M N . 17829 1 678 . 1 1 153 153 GLU H H 1 8.973 0.015 . 1 . . . . 2322 E H . 17829 1 679 . 1 1 153 153 GLU C C 13 173.307 0.000 . 1 . . . . 2322 E C . 17829 1 680 . 1 1 153 153 GLU CA C 13 54.995 0.210 . 1 . . . . 2322 E CA . 17829 1 681 . 1 1 153 153 GLU CB C 13 27.868 0.000 . 1 . . . . 2322 E CB . 17829 1 682 . 1 1 153 153 GLU N N 15 119.398 0.103 . 1 . . . . 2322 E N . 17829 1 683 . 1 1 154 154 VAL H H 1 9.237 0.012 . 1 . . . . 2323 V H . 17829 1 684 . 1 1 154 154 VAL C C 13 172.488 0.000 . 1 . . . . 2323 V C . 17829 1 685 . 1 1 154 154 VAL CA C 13 62.097 0.181 . 1 . . . . 2323 V CA . 17829 1 686 . 1 1 154 154 VAL CB C 13 34.871 0.051 . 1 . . . . 2323 V CB . 17829 1 687 . 1 1 154 154 VAL N N 15 126.528 0.025 . 1 . . . . 2323 V N . 17829 1 688 . 1 1 155 155 LEU H H 1 8.662 0.011 . 1 . . . . 2324 L H . 17829 1 689 . 1 1 155 155 LEU C C 13 176.964 0.000 . 1 . . . . 2324 L C . 17829 1 690 . 1 1 155 155 LEU CA C 13 52.821 0.130 . 1 . . . . 2324 L CA . 17829 1 691 . 1 1 155 155 LEU CB C 13 44.441 0.186 . 1 . . . . 2324 L CB . 17829 1 692 . 1 1 155 155 LEU N N 15 127.656 0.047 . 1 . . . . 2324 L N . 17829 1 693 . 1 1 156 156 GLY H H 1 8.893 0.014 . 1 . . . . 2325 G H . 17829 1 694 . 1 1 156 156 GLY C C 13 172.270 0.000 . 1 . . . . 2325 G C . 17829 1 695 . 1 1 156 156 GLY CA C 13 48.845 0.161 . 1 . . . . 2325 G CA . 17829 1 696 . 1 1 156 156 GLY N N 15 109.227 0.094 . 1 . . . . 2325 G N . 17829 1 697 . 1 1 157 157 CYS H H 1 9.116 0.014 . 1 . . . . 2326 C H . 17829 1 698 . 1 1 157 157 CYS C C 13 172.433 0.000 . 1 . . . . 2326 C C . 17829 1 699 . 1 1 157 157 CYS CA C 13 56.874 0.117 . 1 . . . . 2326 C CA . 17829 1 700 . 1 1 157 157 CYS CB C 13 41.731 0.185 . 1 . . . . 2326 C CB . 17829 1 701 . 1 1 157 157 CYS N N 15 115.779 0.048 . 1 . . . . 2326 C N . 17829 1 702 . 1 1 158 158 GLU H H 1 8.378 0.012 . 1 . . . . 2327 E H . 17829 1 703 . 1 1 158 158 GLU C C 13 176.600 0.000 . 1 . . . . 2327 E C . 17829 1 704 . 1 1 158 158 GLU CA C 13 57.635 0.094 . 1 . . . . 2327 E CA . 17829 1 705 . 1 1 158 158 GLU CB C 13 30.279 0.012 . 1 . . . . 2327 E CB . 17829 1 706 . 1 1 158 158 GLU N N 15 119.596 0.092 . 1 . . . . 2327 E N . 17829 1 707 . 1 1 159 159 ALA H H 1 8.382 0.012 . 1 . . . . 2328 A H . 17829 1 708 . 1 1 159 159 ALA C C 13 176.890 0.000 . 1 . . . . 2328 A C . 17829 1 709 . 1 1 159 159 ALA CA C 13 53.183 0.052 . 1 . . . . 2328 A CA . 17829 1 710 . 1 1 159 159 ALA CB C 13 20.086 0.188 . 1 . . . . 2328 A CB . 17829 1 711 . 1 1 159 159 ALA N N 15 125.004 0.073 . 1 . . . . 2328 A N . 17829 1 712 . 1 1 160 160 GLN H H 1 7.985 0.011 . 1 . . . . 2329 Q H . 17829 1 713 . 1 1 160 160 GLN C C 13 175.230 0.000 . 1 . . . . 2329 Q C . 17829 1 714 . 1 1 160 160 GLN CA C 13 56.161 0.056 . 1 . . . . 2329 Q CA . 17829 1 715 . 1 1 160 160 GLN CB C 13 30.268 0.044 . 1 . . . . 2329 Q CB . 17829 1 716 . 1 1 160 160 GLN N N 15 119.019 0.061 . 1 . . . . 2329 Q N . 17829 1 717 . 1 1 161 161 ASP H H 1 8.217 0.011 . 1 . . . . 2330 D H . 17829 1 718 . 1 1 161 161 ASP C C 13 175.619 0.000 . 1 . . . . 2330 D C . 17829 1 719 . 1 1 161 161 ASP CA C 13 55.124 0.175 . 1 . . . . 2330 D CA . 17829 1 720 . 1 1 161 161 ASP CB C 13 41.444 0.009 . 1 . . . . 2330 D CB . 17829 1 721 . 1 1 161 161 ASP N N 15 121.648 0.029 . 1 . . . . 2330 D N . 17829 1 722 . 1 1 162 162 LEU H H 1 7.966 0.012 . 1 . . . . 2331 L H . 17829 1 723 . 1 1 162 162 LEU C C 13 175.902 0.000 . 1 . . . . 2331 L C . 17829 1 724 . 1 1 162 162 LEU CA C 13 55.579 0.098 . 1 . . . . 2331 L CA . 17829 1 725 . 1 1 162 162 LEU CB C 13 42.852 0.097 . 1 . . . . 2331 L CB . 17829 1 726 . 1 1 162 162 LEU N N 15 122.451 0.090 . 1 . . . . 2331 L N . 17829 1 727 . 1 1 163 163 TYR H H 1 7.523 0.011 . 1 . . . . 2332 Y H . 17829 1 728 . 1 1 163 163 TYR CA C 13 59.416 0.052 . 1 . . . . 2332 Y CA . 17829 1 729 . 1 1 163 163 TYR CB C 13 39.862 0.000 . 1 . . . . 2332 Y CB . 17829 1 730 . 1 1 163 163 TYR N N 15 125.606 0.022 . 1 . . . . 2332 Y N . 17829 1 stop_ save_