data_17487 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17487 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ICL3 of 5TH1A receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-24 _Entry.Accession_date 2011-02-24 _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 'Young Mee' Kim . . . 17487 2 shovanlal Gayen . . . 17487 3 Angela Chen . . . 17487 4 Qiwei Huang . . . 17487 5 congbao kang . . . 17487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 17487 '15N chemical shifts' 111 17487 '1H chemical shifts' 211 17487 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 . . 2012-03-08 2011-07-06 update BMRB 'update entry citation' 17487 1 . . 2011-02-24 2011-07-06 original author 'original release' 17487 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17487 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21640070 _Citation.Full_citation . _Citation.Title 'NMR structural study of the intracellular loop 3 of the serotonin 5-HT(1A) receptor and its interaction with calmodulin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1808 _Citation.Journal_issue 9 _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 2224 _Citation.Page_last 2232 _Citation.Year 2011 _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 'Angela Shuyi' Chen . . . 17487 1 2 'Young Mee' Kim . . . 17487 1 3 Shovanlal Gayen . . . 17487 1 4 Qiwei Huang . . . 17487 1 5 Manfred Raida . . . 17487 1 6 Congbao Kang . . . 17487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17487 _Assembly.ID 1 _Assembly.Name 'monomer of ICL3 (residues A221 to K345) 5-HT1A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'ICL3 of 5-HT1A from A221 to K345' _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 'ICL3 of 5HT1A receptor' 1 $ICL3_of_5-HT1A A . yes native no no . . . 17487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ICL3_of_5-HT1A _Entity.Sf_category entity _Entity.Sf_framecode ICL3_of_5-HT1A _Entity.Entry_ID 17487 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ICL3_of_5-HT1A_receptor _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 ; MGHHHHHHHHHHSSGHIEGR HMAARFRIRKTVKKVEKTGA DTRHGASPAPQPKKSVNGES GSRNWRLGVESKAGGALCAN GAVRQGDDGAALEVIEVHRV GNSKEHLPLPSEAGPTPCAP ASFERKNERNAEAKRKMALA RERKTVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-22 represent a non-native affinity tag.' _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16043.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no GB AAD13945 . "5-hydroxytryptamine receptor, partial [Homo sapiens]" . . . . . 80.27 167 99.15 99.15 1.25e-74 . . . . 17487 1 no GB AAL96692 . "5-hydroxytryptamine receptor 1A [Macaca mulatta]" . . . . . 61.90 153 97.80 97.80 4.80e-55 . . . . 17487 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Study on ICL3 of 5HT1A receptor and its molecular interaction with calmoudlin' 17487 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 1 199 MET . 17487 1 2 200 GLY . 17487 1 3 201 HIS . 17487 1 4 202 HIS . 17487 1 5 203 HIS . 17487 1 6 204 HIS . 17487 1 7 205 HIS . 17487 1 8 206 HIS . 17487 1 9 207 HIS . 17487 1 10 208 HIS . 17487 1 11 209 HIS . 17487 1 12 210 HIS . 17487 1 13 211 SER . 17487 1 14 212 SER . 17487 1 15 213 GLY . 17487 1 16 214 HIS . 17487 1 17 215 ILE . 17487 1 18 216 GLU . 17487 1 19 217 GLY . 17487 1 20 218 ARG . 17487 1 21 219 HIS . 17487 1 22 220 MET . 17487 1 23 221 ALA . 17487 1 24 222 ALA . 17487 1 25 223 ARG . 17487 1 26 224 PHE . 17487 1 27 225 ARG . 17487 1 28 226 ILE . 17487 1 29 227 ARG . 17487 1 30 228 LYS . 17487 1 31 229 THR . 17487 1 32 230 VAL . 17487 1 33 231 LYS . 17487 1 34 232 LYS . 17487 1 35 233 VAL . 17487 1 36 234 GLU . 17487 1 37 235 LYS . 17487 1 38 236 THR . 17487 1 39 237 GLY . 17487 1 40 238 ALA . 17487 1 41 239 ASP . 17487 1 42 240 THR . 17487 1 43 241 ARG . 17487 1 44 242 HIS . 17487 1 45 243 GLY . 17487 1 46 244 ALA . 17487 1 47 245 SER . 17487 1 48 246 PRO . 17487 1 49 247 ALA . 17487 1 50 248 PRO . 17487 1 51 249 GLN . 17487 1 52 250 PRO . 17487 1 53 251 LYS . 17487 1 54 252 LYS . 17487 1 55 253 SER . 17487 1 56 254 VAL . 17487 1 57 255 ASN . 17487 1 58 256 GLY . 17487 1 59 257 GLU . 17487 1 60 258 SER . 17487 1 61 259 GLY . 17487 1 62 260 SER . 17487 1 63 261 ARG . 17487 1 64 262 ASN . 17487 1 65 263 TRP . 17487 1 66 264 ARG . 17487 1 67 265 LEU . 17487 1 68 266 GLY . 17487 1 69 267 VAL . 17487 1 70 268 GLU . 17487 1 71 269 SER . 17487 1 72 270 LYS . 17487 1 73 271 ALA . 17487 1 74 272 GLY . 17487 1 75 273 GLY . 17487 1 76 274 ALA . 17487 1 77 275 LEU . 17487 1 78 276 CYS . 17487 1 79 277 ALA . 17487 1 80 278 ASN . 17487 1 81 279 GLY . 17487 1 82 280 ALA . 17487 1 83 281 VAL . 17487 1 84 282 ARG . 17487 1 85 283 GLN . 17487 1 86 284 GLY . 17487 1 87 285 ASP . 17487 1 88 286 ASP . 17487 1 89 287 GLY . 17487 1 90 288 ALA . 17487 1 91 289 ALA . 17487 1 92 290 LEU . 17487 1 93 291 GLU . 17487 1 94 292 VAL . 17487 1 95 293 ILE . 17487 1 96 294 GLU . 17487 1 97 295 VAL . 17487 1 98 296 HIS . 17487 1 99 297 ARG . 17487 1 100 298 VAL . 17487 1 101 299 GLY . 17487 1 102 300 ASN . 17487 1 103 301 SER . 17487 1 104 302 LYS . 17487 1 105 303 GLU . 17487 1 106 304 HIS . 17487 1 107 305 LEU . 17487 1 108 306 PRO . 17487 1 109 307 LEU . 17487 1 110 308 PRO . 17487 1 111 309 SER . 17487 1 112 310 GLU . 17487 1 113 311 ALA . 17487 1 114 312 GLY . 17487 1 115 313 PRO . 17487 1 116 314 THR . 17487 1 117 315 PRO . 17487 1 118 316 CYS . 17487 1 119 317 ALA . 17487 1 120 318 PRO . 17487 1 121 319 ALA . 17487 1 122 320 SER . 17487 1 123 321 PHE . 17487 1 124 322 GLU . 17487 1 125 323 ARG . 17487 1 126 324 LYS . 17487 1 127 325 ASN . 17487 1 128 326 GLU . 17487 1 129 327 ARG . 17487 1 130 328 ASN . 17487 1 131 329 ALA . 17487 1 132 330 GLU . 17487 1 133 331 ALA . 17487 1 134 332 LYS . 17487 1 135 333 ARG . 17487 1 136 334 LYS . 17487 1 137 335 MET . 17487 1 138 336 ALA . 17487 1 139 337 LEU . 17487 1 140 338 ALA . 17487 1 141 339 ARG . 17487 1 142 340 GLU . 17487 1 143 341 ARG . 17487 1 144 342 LYS . 17487 1 145 343 THR . 17487 1 146 344 VAL . 17487 1 147 345 LYS . 17487 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17487 1 . GLY 2 2 17487 1 . HIS 3 3 17487 1 . HIS 4 4 17487 1 . HIS 5 5 17487 1 . HIS 6 6 17487 1 . HIS 7 7 17487 1 . HIS 8 8 17487 1 . HIS 9 9 17487 1 . HIS 10 10 17487 1 . HIS 11 11 17487 1 . HIS 12 12 17487 1 . SER 13 13 17487 1 . SER 14 14 17487 1 . GLY 15 15 17487 1 . HIS 16 16 17487 1 . ILE 17 17 17487 1 . GLU 18 18 17487 1 . GLY 19 19 17487 1 . ARG 20 20 17487 1 . HIS 21 21 17487 1 . MET 22 22 17487 1 . ALA 23 23 17487 1 . ALA 24 24 17487 1 . ARG 25 25 17487 1 . PHE 26 26 17487 1 . ARG 27 27 17487 1 . ILE 28 28 17487 1 . ARG 29 29 17487 1 . LYS 30 30 17487 1 . THR 31 31 17487 1 . VAL 32 32 17487 1 . LYS 33 33 17487 1 . LYS 34 34 17487 1 . VAL 35 35 17487 1 . GLU 36 36 17487 1 . LYS 37 37 17487 1 . THR 38 38 17487 1 . GLY 39 39 17487 1 . ALA 40 40 17487 1 . ASP 41 41 17487 1 . THR 42 42 17487 1 . ARG 43 43 17487 1 . HIS 44 44 17487 1 . GLY 45 45 17487 1 . ALA 46 46 17487 1 . SER 47 47 17487 1 . PRO 48 48 17487 1 . ALA 49 49 17487 1 . PRO 50 50 17487 1 . GLN 51 51 17487 1 . PRO 52 52 17487 1 . LYS 53 53 17487 1 . LYS 54 54 17487 1 . SER 55 55 17487 1 . VAL 56 56 17487 1 . ASN 57 57 17487 1 . GLY 58 58 17487 1 . GLU 59 59 17487 1 . SER 60 60 17487 1 . GLY 61 61 17487 1 . SER 62 62 17487 1 . ARG 63 63 17487 1 . ASN 64 64 17487 1 . TRP 65 65 17487 1 . ARG 66 66 17487 1 . LEU 67 67 17487 1 . GLY 68 68 17487 1 . VAL 69 69 17487 1 . GLU 70 70 17487 1 . SER 71 71 17487 1 . LYS 72 72 17487 1 . ALA 73 73 17487 1 . GLY 74 74 17487 1 . GLY 75 75 17487 1 . ALA 76 76 17487 1 . LEU 77 77 17487 1 . CYS 78 78 17487 1 . ALA 79 79 17487 1 . ASN 80 80 17487 1 . GLY 81 81 17487 1 . ALA 82 82 17487 1 . VAL 83 83 17487 1 . ARG 84 84 17487 1 . GLN 85 85 17487 1 . GLY 86 86 17487 1 . ASP 87 87 17487 1 . ASP 88 88 17487 1 . GLY 89 89 17487 1 . ALA 90 90 17487 1 . ALA 91 91 17487 1 . LEU 92 92 17487 1 . GLU 93 93 17487 1 . VAL 94 94 17487 1 . ILE 95 95 17487 1 . GLU 96 96 17487 1 . VAL 97 97 17487 1 . HIS 98 98 17487 1 . ARG 99 99 17487 1 . VAL 100 100 17487 1 . GLY 101 101 17487 1 . ASN 102 102 17487 1 . SER 103 103 17487 1 . LYS 104 104 17487 1 . GLU 105 105 17487 1 . HIS 106 106 17487 1 . LEU 107 107 17487 1 . PRO 108 108 17487 1 . LEU 109 109 17487 1 . PRO 110 110 17487 1 . SER 111 111 17487 1 . GLU 112 112 17487 1 . ALA 113 113 17487 1 . GLY 114 114 17487 1 . PRO 115 115 17487 1 . THR 116 116 17487 1 . PRO 117 117 17487 1 . CYS 118 118 17487 1 . ALA 119 119 17487 1 . PRO 120 120 17487 1 . ALA 121 121 17487 1 . SER 122 122 17487 1 . PHE 123 123 17487 1 . GLU 124 124 17487 1 . ARG 125 125 17487 1 . LYS 126 126 17487 1 . ASN 127 127 17487 1 . GLU 128 128 17487 1 . ARG 129 129 17487 1 . ASN 130 130 17487 1 . ALA 131 131 17487 1 . GLU 132 132 17487 1 . ALA 133 133 17487 1 . LYS 134 134 17487 1 . ARG 135 135 17487 1 . LYS 136 136 17487 1 . MET 137 137 17487 1 . ALA 138 138 17487 1 . LEU 139 139 17487 1 . ALA 140 140 17487 1 . ARG 141 141 17487 1 . GLU 142 142 17487 1 . ARG 143 143 17487 1 . LYS 144 144 17487 1 . THR 145 145 17487 1 . VAL 146 146 17487 1 . LYS 147 147 17487 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 17487 _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 $ICL3_of_5-HT1A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens HTR1A . . . . . . . . . . . . . . . . . . . . 17487 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 17487 _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 $ICL3_of_5-HT1A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'E.coli BL21 (DE3)' . . . . . . . . . . . . . . . pET16b . . . 'E.coli BL21 (DE3) RLIP condon plus' . . 17487 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17487 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[13C/15N]20 mM Na-PO4, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O and 2 mM EDTA with 0.5 mM concentration.' _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 'ICL3 of 5-HT1A' '[U-99% 13C; U-99% 15N]' . . 1 $ICL3_of_5-HT1A . . 0.5 . . mM . . . . 17487 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17487 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17487 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17487 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17487 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17487 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17487 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17487 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[15N]20 mM Na-PO4, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O and 2 mM EDTA with 0.5 mM concentration.' _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 'ICL3 of 5-HT1A' '[U-100% 15N]' . . 1 $ICL3_of_5-HT1A . . 0.5 . . mM . . . . 17487 2 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17487 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17487 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17487 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17487 2 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17487 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17487 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17487 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; All the NMR spectra were obtained on a Bruker Avance 700 MHz equipped with a cryoprobe at 25 C. Non-label, 15N-label labeled proteins were in a buffer containing 20 mM Tris-HCl, pH 6.5, 1mM DTT, 150mM NaCl, 10% D2O with 0.5 mM concentration ; 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' 150 . mM 17487 1 pH 6.5 . pH 17487 1 pressure 1 . atm 17487 1 temperature 298 . K 17487 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17487 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'The proton spectrum was processed and visualized with Topspin from Bruker/The 2 D spectrum were processed with NMRPipe and visualized with NMRView' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17487 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17487 1 Goddard . . 17487 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17487 1 collection 17487 1 processing 17487 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 17487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'All the NMR spectra were obtained on a Bruker Avance 700 MHz equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17487 _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 Avance . 700 'All the NMR spectra were obtained on a Bruker Avance 700 MHz equipped with a cryoprobe' . . 17487 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 17487 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17487 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 17487 _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 . indirect 0.251449530 . . . . . . . . . 17487 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17487 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17487 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 17487 _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 '2D 1H-15N HSQC' . . . 17487 1 4 '3D HNCACB' . . . 17487 1 5 '3D HNCO' . . . 17487 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 23 23 ALA H H 1 8.324 0.020 . 1 . . . . 221 ALA H . 17487 1 2 . 1 1 23 23 ALA C C 13 177.681 0.400 . 1 . . . . 221 ALA C . 17487 1 3 . 1 1 23 23 ALA CA C 13 52.589 0.400 . 1 . . . . 221 ALA CA . 17487 1 4 . 1 1 23 23 ALA CB C 13 19.295 0.400 . 1 . . . . 221 ALA CB . 17487 1 5 . 1 1 23 23 ALA N N 15 124.727 0.400 . 1 . . . . 221 ALA N . 17487 1 6 . 1 1 24 24 ALA H H 1 8.312 0.020 . 1 . . . . 222 ALA H . 17487 1 7 . 1 1 24 24 ALA C C 13 178.138 0.400 . 1 . . . . 222 ALA C . 17487 1 8 . 1 1 24 24 ALA CA C 13 53.034 0.400 . 1 . . . . 222 ALA CA . 17487 1 9 . 1 1 24 24 ALA CB C 13 18.892 0.400 . 1 . . . . 222 ALA CB . 17487 1 10 . 1 1 24 24 ALA N N 15 122.900 0.400 . 1 . . . . 222 ALA N . 17487 1 11 . 1 1 25 25 ARG H H 1 8.207 0.020 . 1 . . . . 223 ARG H . 17487 1 12 . 1 1 25 25 ARG HA H 1 4.412 0.020 . 1 . . . . 223 ARG HA . 17487 1 13 . 1 1 25 25 ARG C C 13 176.181 0.400 . 1 . . . . 223 ARG C . 17487 1 14 . 1 1 25 25 ARG CA C 13 56.596 0.400 . 1 . . . . 223 ARG CA . 17487 1 15 . 1 1 25 25 ARG CB C 13 30.370 0.400 . 1 . . . . 223 ARG CB . 17487 1 16 . 1 1 25 25 ARG N N 15 118.838 0.400 . 1 . . . . 223 ARG N . 17487 1 17 . 1 1 26 26 PHE H H 1 8.101 0.020 . 1 . . . . 224 PHE H . 17487 1 18 . 1 1 26 26 PHE HA H 1 4.710 0.020 . 1 . . . . 224 PHE HA . 17487 1 19 . 1 1 26 26 PHE C C 13 175.439 0.400 . 1 . . . . 224 PHE C . 17487 1 20 . 1 1 26 26 PHE CA C 13 57.671 0.400 . 1 . . . . 224 PHE CA . 17487 1 21 . 1 1 26 26 PHE CB C 13 39.501 0.400 . 1 . . . . 224 PHE CB . 17487 1 22 . 1 1 26 26 PHE N N 15 119.883 0.400 . 1 . . . . 224 PHE N . 17487 1 23 . 1 1 27 27 ARG H H 1 8.142 0.020 . 1 . . . . 225 ARG H . 17487 1 24 . 1 1 27 27 ARG HA H 1 4.376 0.020 . 1 . . . . 225 ARG HA . 17487 1 25 . 1 1 27 27 ARG C C 13 175.679 0.400 . 1 . . . . 225 ARG C . 17487 1 26 . 1 1 27 27 ARG CA C 13 56.069 0.400 . 1 . . . . 225 ARG CA . 17487 1 27 . 1 1 27 27 ARG CB C 13 30.831 0.400 . 1 . . . . 225 ARG CB . 17487 1 28 . 1 1 27 27 ARG N N 15 122.415 0.400 . 1 . . . . 225 ARG N . 17487 1 29 . 1 1 28 28 ILE H H 1 8.220 0.020 . 1 . . . . 226 ILE H . 17487 1 30 . 1 1 28 28 ILE C C 13 175.719 0.400 . 1 . . . . 226 ILE C . 17487 1 31 . 1 1 28 28 ILE CA C 13 61.145 0.400 . 1 . . . . 226 ILE CA . 17487 1 32 . 1 1 28 28 ILE CB C 13 38.555 0.400 . 1 . . . . 226 ILE CB . 17487 1 33 . 1 1 28 28 ILE N N 15 122.479 0.400 . 1 . . . . 226 ILE N . 17487 1 34 . 1 1 29 29 ARG H H 1 8.517 0.020 . 1 . . . . 227 ARG H . 17487 1 35 . 1 1 29 29 ARG HA H 1 4.333 0.020 . 1 . . . . 227 ARG HA . 17487 1 36 . 1 1 29 29 ARG C C 13 176.220 0.400 . 1 . . . . 227 ARG C . 17487 1 37 . 1 1 29 29 ARG CA C 13 56.463 0.400 . 1 . . . . 227 ARG CA . 17487 1 38 . 1 1 29 29 ARG CB C 13 30.605 0.400 . 1 . . . . 227 ARG CB . 17487 1 39 . 1 1 29 29 ARG N N 15 125.377 0.400 . 1 . . . . 227 ARG N . 17487 1 40 . 1 1 30 30 LYS H H 1 8.601 0.020 . 1 . . . . 228 LYS H . 17487 1 41 . 1 1 30 30 LYS HA H 1 4.481 0.020 . 1 . . . . 228 LYS HA . 17487 1 42 . 1 1 30 30 LYS C C 13 176.626 0.400 . 1 . . . . 228 LYS C . 17487 1 43 . 1 1 30 30 LYS CA C 13 56.379 0.400 . 1 . . . . 228 LYS CA . 17487 1 44 . 1 1 30 30 LYS CB C 13 32.926 0.400 . 1 . . . . 228 LYS CB . 17487 1 45 . 1 1 30 30 LYS N N 15 123.229 0.400 . 1 . . . . 228 LYS N . 17487 1 46 . 1 1 31 31 THR H H 1 8.318 0.020 . 1 . . . . 229 THR H . 17487 1 47 . 1 1 31 31 THR HA H 1 4.433 0.020 . 1 . . . . 229 THR HA . 17487 1 48 . 1 1 31 31 THR C C 13 174.214 0.400 . 1 . . . . 229 THR C . 17487 1 49 . 1 1 31 31 THR CA C 13 61.886 0.400 . 1 . . . . 229 THR CA . 17487 1 50 . 1 1 31 31 THR CB C 13 69.864 0.400 . 1 . . . . 229 THR CB . 17487 1 51 . 1 1 31 31 THR N N 15 116.258 0.400 . 1 . . . . 229 THR N . 17487 1 52 . 1 1 32 32 VAL H H 1 8.371 0.020 . 1 . . . . 230 VAL H . 17487 1 53 . 1 1 32 32 VAL HA H 1 4.214 0.020 . 1 . . . . 230 VAL HA . 17487 1 54 . 1 1 32 32 VAL C C 13 175.738 0.400 . 1 . . . . 230 VAL C . 17487 1 55 . 1 1 32 32 VAL CA C 13 62.135 0.400 . 1 . . . . 230 VAL CA . 17487 1 56 . 1 1 32 32 VAL CB C 13 32.688 0.400 . 1 . . . . 230 VAL CB . 17487 1 57 . 1 1 32 32 VAL N N 15 123.727 0.400 . 1 . . . . 230 VAL N . 17487 1 58 . 1 1 33 33 LYS H H 1 8.505 0.020 . 1 . . . . 231 LYS H . 17487 1 59 . 1 1 33 33 LYS HA H 1 4.385 0.020 . 1 . . . . 231 LYS HA . 17487 1 60 . 1 1 33 33 LYS C C 13 176.110 0.400 . 1 . . . . 231 LYS C . 17487 1 61 . 1 1 33 33 LYS CA C 13 56.246 0.400 . 1 . . . . 231 LYS CA . 17487 1 62 . 1 1 33 33 LYS CB C 13 33.108 0.400 . 1 . . . . 231 LYS CB . 17487 1 63 . 1 1 33 33 LYS N N 15 126.390 0.400 . 1 . . . . 231 LYS N . 17487 1 64 . 1 1 34 34 LYS H H 1 8.511 0.020 . 1 . . . . 232 LYS H . 17487 1 65 . 1 1 34 34 LYS HA H 1 4.385 0.020 . 1 . . . . 232 LYS HA . 17487 1 66 . 1 1 34 34 LYS C C 13 176.199 0.400 . 1 . . . . 232 LYS C . 17487 1 67 . 1 1 34 34 LYS CA C 13 56.014 0.400 . 1 . . . . 232 LYS CA . 17487 1 68 . 1 1 34 34 LYS CB C 13 33.006 0.400 . 1 . . . . 232 LYS CB . 17487 1 69 . 1 1 34 34 LYS N N 15 124.636 0.400 . 1 . . . . 232 LYS N . 17487 1 70 . 1 1 35 35 VAL H H 1 8.390 0.020 . 1 . . . . 233 VAL H . 17487 1 71 . 1 1 35 35 VAL HA H 1 4.166 0.020 . 1 . . . . 233 VAL HA . 17487 1 72 . 1 1 35 35 VAL C C 13 175.971 0.400 . 1 . . . . 233 VAL C . 17487 1 73 . 1 1 35 35 VAL CA C 13 62.430 0.400 . 1 . . . . 233 VAL CA . 17487 1 74 . 1 1 35 35 VAL CB C 13 32.680 0.400 . 1 . . . . 233 VAL CB . 17487 1 75 . 1 1 35 35 VAL N N 15 123.197 0.400 . 1 . . . . 233 VAL N . 17487 1 76 . 1 1 36 36 GLU H H 1 8.552 0.020 . 1 . . . . 234 GLU H . 17487 1 77 . 1 1 36 36 GLU HA H 1 4.461 0.020 . 1 . . . . 234 GLU HA . 17487 1 78 . 1 1 36 36 GLU C C 13 175.939 0.400 . 1 . . . . 234 GLU C . 17487 1 79 . 1 1 36 36 GLU CA C 13 55.925 0.400 . 1 . . . . 234 GLU CA . 17487 1 80 . 1 1 36 36 GLU CB C 13 30.692 0.400 . 1 . . . . 234 GLU CB . 17487 1 81 . 1 1 36 36 GLU N N 15 122.441 0.400 . 1 . . . . 234 GLU N . 17487 1 82 . 1 1 37 37 LYS H H 1 8.527 0.020 . 1 . . . . 235 LYS H . 17487 1 83 . 1 1 37 37 LYS HA H 1 4.322 0.020 . 1 . . . . 235 LYS HA . 17487 1 84 . 1 1 37 37 LYS C C 13 176.619 0.400 . 1 . . . . 235 LYS C . 17487 1 85 . 1 1 37 37 LYS CA C 13 56.408 0.400 . 1 . . . . 235 LYS CA . 17487 1 86 . 1 1 37 37 LYS CB C 13 33.045 0.400 . 1 . . . . 235 LYS CB . 17487 1 87 . 1 1 37 37 LYS N N 15 123.903 0.400 . 1 . . . . 235 LYS N . 17487 1 88 . 1 1 38 38 THR H H 1 8.377 0.020 . 1 . . . . 236 THR H . 17487 1 89 . 1 1 38 38 THR HA H 1 4.454 0.020 . 1 . . . . 236 THR HA . 17487 1 90 . 1 1 38 38 THR C C 13 175.117 0.400 . 1 . . . . 236 THR C . 17487 1 91 . 1 1 38 38 THR CA C 13 61.912 0.400 . 1 . . . . 236 THR CA . 17487 1 92 . 1 1 38 38 THR CB C 13 70.094 0.400 . 1 . . . . 236 THR CB . 17487 1 93 . 1 1 38 38 THR N N 15 115.588 0.400 . 1 . . . . 236 THR N . 17487 1 94 . 1 1 39 39 GLY H H 1 8.589 0.020 . 1 . . . . 237 GLY H . 17487 1 95 . 1 1 39 39 GLY HA2 H 1 4.075 0.020 . 2 . . . . 237 GLY HA2 . 17487 1 96 . 1 1 39 39 GLY HA3 H 1 4.075 0.020 . 2 . . . . 237 GLY HA3 . 17487 1 97 . 1 1 39 39 GLY C C 13 173.998 0.400 . 1 . . . . 237 GLY C . 17487 1 98 . 1 1 39 39 GLY CA C 13 45.321 0.400 . 1 . . . . 237 GLY CA . 17487 1 99 . 1 1 39 39 GLY N N 15 111.323 0.400 . 1 . . . . 237 GLY N . 17487 1 100 . 1 1 40 40 ALA H H 1 8.328 0.020 . 1 . . . . 238 ALA H . 17487 1 101 . 1 1 40 40 ALA C C 13 177.566 0.400 . 1 . . . . 238 ALA C . 17487 1 102 . 1 1 40 40 ALA CA C 13 52.747 0.400 . 1 . . . . 238 ALA CA . 17487 1 103 . 1 1 40 40 ALA CB C 13 19.273 0.400 . 1 . . . . 238 ALA CB . 17487 1 104 . 1 1 40 40 ALA N N 15 123.754 0.400 . 1 . . . . 238 ALA N . 17487 1 105 . 1 1 41 41 ASP H H 1 8.509 0.020 . 1 . . . . 239 ASP H . 17487 1 106 . 1 1 41 41 ASP HA H 1 4.717 0.020 . 1 . . . . 239 ASP HA . 17487 1 107 . 1 1 41 41 ASP C C 13 177.163 0.400 . 1 . . . . 239 ASP C . 17487 1 108 . 1 1 41 41 ASP CA C 13 54.294 0.400 . 1 . . . . 239 ASP CA . 17487 1 109 . 1 1 41 41 ASP CB C 13 41.067 0.400 . 1 . . . . 239 ASP CB . 17487 1 110 . 1 1 41 41 ASP N N 15 119.363 0.400 . 1 . . . . 239 ASP N . 17487 1 111 . 1 1 42 42 THR H H 1 8.175 0.020 . 1 . . . . 240 THR H . 17487 1 112 . 1 1 42 42 THR HA H 1 4.355 0.020 . 1 . . . . 240 THR HA . 17487 1 113 . 1 1 42 42 THR C C 13 174.898 0.400 . 1 . . . . 240 THR C . 17487 1 114 . 1 1 42 42 THR CA C 13 62.042 0.400 . 1 . . . . 240 THR CA . 17487 1 115 . 1 1 42 42 THR CB C 13 69.478 0.400 . 1 . . . . 240 THR CB . 17487 1 116 . 1 1 42 42 THR N N 15 114.606 0.400 . 1 . . . . 240 THR N . 17487 1 117 . 1 1 43 43 ARG H H 1 8.351 0.020 . 1 . . . . 241 ARG H . 17487 1 118 . 1 1 43 43 ARG HA H 1 4.329 0.020 . 1 . . . . 241 ARG HA . 17487 1 119 . 1 1 43 43 ARG C C 13 176.345 0.400 . 1 . . . . 241 ARG C . 17487 1 120 . 1 1 43 43 ARG CA C 13 56.597 0.400 . 1 . . . . 241 ARG CA . 17487 1 121 . 1 1 43 43 ARG CB C 13 30.349 0.400 . 1 . . . . 241 ARG CB . 17487 1 122 . 1 1 43 43 ARG N N 15 122.728 0.400 . 1 . . . . 241 ARG N . 17487 1 123 . 1 1 44 44 HIS C C 13 175.587 0.400 . 1 . . . . 242 HIS C . 17487 1 124 . 1 1 44 44 HIS CA C 13 56.320 0.400 . 1 . . . . 242 HIS CA . 17487 1 125 . 1 1 44 44 HIS CB C 13 29.983 0.400 . 1 . . . . 242 HIS CB . 17487 1 126 . 1 1 45 45 GLY H H 1 8.463 0.020 . 1 . . . . 243 GLY H . 17487 1 127 . 1 1 45 45 GLY HA2 H 1 4.014 0.020 . 2 . . . . 243 GLY HA2 . 17487 1 128 . 1 1 45 45 GLY HA3 H 1 4.014 0.020 . 2 . . . . 243 GLY HA3 . 17487 1 129 . 1 1 45 45 GLY C C 13 173.628 0.400 . 1 . . . . 243 GLY C . 17487 1 130 . 1 1 45 45 GLY CA C 13 45.265 0.400 . 1 . . . . 243 GLY CA . 17487 1 131 . 1 1 45 45 GLY N N 15 110.382 0.400 . 1 . . . . 243 GLY N . 17487 1 132 . 1 1 46 46 ALA H H 1 8.267 0.020 . 1 . . . . 244 ALA H . 17487 1 133 . 1 1 46 46 ALA C C 13 177.620 0.400 . 1 . . . . 244 ALA C . 17487 1 134 . 1 1 46 46 ALA CA C 13 52.353 0.400 . 1 . . . . 244 ALA CA . 17487 1 135 . 1 1 46 46 ALA CB C 13 19.427 0.400 . 1 . . . . 244 ALA CB . 17487 1 136 . 1 1 46 46 ALA N N 15 123.717 0.400 . 1 . . . . 244 ALA N . 17487 1 137 . 1 1 47 47 SER H H 1 8.455 0.020 . 1 . . . . 245 SER H . 17487 1 138 . 1 1 47 47 SER HA H 1 4.790 0.020 . 1 . . . . 245 SER HA . 17487 1 139 . 1 1 47 47 SER C C 13 172.477 0.400 . 1 . . . . 245 SER C . 17487 1 140 . 1 1 47 47 SER CA C 13 56.657 0.400 . 1 . . . . 245 SER CA . 17487 1 141 . 1 1 47 47 SER CB C 13 63.304 0.400 . 1 . . . . 245 SER CB . 17487 1 142 . 1 1 47 47 SER N N 15 117.018 0.400 . 1 . . . . 245 SER N . 17487 1 143 . 1 1 48 48 PRO C C 13 176.267 0.400 . 1 . . . . 246 PRO C . 17487 1 144 . 1 1 48 48 PRO CA C 13 62.976 0.400 . 1 . . . . 246 PRO CA . 17487 1 145 . 1 1 48 48 PRO CB C 13 31.971 0.400 . 1 . . . . 246 PRO CB . 17487 1 146 . 1 1 49 49 ALA H H 1 8.478 0.020 . 1 . . . . 247 ALA H . 17487 1 147 . 1 1 49 49 ALA HA H 1 4.626 0.020 . 1 . . . . 247 ALA HA . 17487 1 148 . 1 1 49 49 ALA C C 13 175.488 0.400 . 1 . . . . 247 ALA C . 17487 1 149 . 1 1 49 49 ALA CA C 13 50.486 0.400 . 1 . . . . 247 ALA CA . 17487 1 150 . 1 1 49 49 ALA CB C 13 17.970 0.400 . 1 . . . . 247 ALA CB . 17487 1 151 . 1 1 49 49 ALA N N 15 126.040 0.400 . 1 . . . . 247 ALA N . 17487 1 152 . 1 1 50 50 PRO C C 13 176.703 0.400 . 1 . . . . 248 PRO C . 17487 1 153 . 1 1 50 50 PRO CA C 13 62.894 0.400 . 1 . . . . 248 PRO CA . 17487 1 154 . 1 1 50 50 PRO CB C 13 31.930 0.400 . 1 . . . . 248 PRO CB . 17487 1 155 . 1 1 51 51 GLN H H 1 8.562 0.020 . 1 . . . . 249 GLN H . 17487 1 156 . 1 1 51 51 GLN HA H 1 4.651 0.020 . 1 . . . . 249 GLN HA . 17487 1 157 . 1 1 51 51 GLN C C 13 174.092 0.400 . 1 . . . . 249 GLN C . 17487 1 158 . 1 1 51 51 GLN CA C 13 53.591 0.400 . 1 . . . . 249 GLN CA . 17487 1 159 . 1 1 51 51 GLN CB C 13 28.982 0.400 . 1 . . . . 249 GLN CB . 17487 1 160 . 1 1 51 51 GLN N N 15 121.756 0.400 . 1 . . . . 249 GLN N . 17487 1 161 . 1 1 52 52 PRO C C 13 176.732 0.400 . 1 . . . . 250 PRO C . 17487 1 162 . 1 1 52 52 PRO CA C 13 63.022 0.400 . 1 . . . . 250 PRO CA . 17487 1 163 . 1 1 52 52 PRO CB C 13 32.039 0.400 . 1 . . . . 250 PRO CB . 17487 1 164 . 1 1 53 53 LYS H H 1 8.525 0.020 . 1 . . . . 251 LYS H . 17487 1 165 . 1 1 53 53 LYS HA H 1 4.353 0.020 . 1 . . . . 251 LYS HA . 17487 1 166 . 1 1 53 53 LYS C C 13 176.610 0.400 . 1 . . . . 251 LYS C . 17487 1 167 . 1 1 53 53 LYS CA C 13 56.315 0.400 . 1 . . . . 251 LYS CA . 17487 1 168 . 1 1 53 53 LYS CB C 13 32.965 0.400 . 1 . . . . 251 LYS CB . 17487 1 169 . 1 1 53 53 LYS N N 15 122.070 0.400 . 1 . . . . 251 LYS N . 17487 1 170 . 1 1 54 54 LYS H H 1 8.475 0.020 . 1 . . . . 252 LYS H . 17487 1 171 . 1 1 54 54 LYS HA H 1 4.659 0.020 . 1 . . . . 252 LYS HA . 17487 1 172 . 1 1 54 54 LYS C C 13 176.420 0.400 . 1 . . . . 252 LYS C . 17487 1 173 . 1 1 54 54 LYS CA C 13 56.246 0.400 . 1 . . . . 252 LYS CA . 17487 1 174 . 1 1 54 54 LYS CB C 13 33.159 0.400 . 1 . . . . 252 LYS CB . 17487 1 175 . 1 1 54 54 LYS N N 15 123.141 0.400 . 1 . . . . 252 LYS N . 17487 1 176 . 1 1 55 55 SER H H 1 8.505 0.020 . 1 . . . . 253 SER H . 17487 1 177 . 1 1 55 55 SER HA H 1 4.708 0.020 . 1 . . . . 253 SER HA . 17487 1 178 . 1 1 55 55 SER C C 13 174.417 0.400 . 1 . . . . 253 SER C . 17487 1 179 . 1 1 55 55 SER CA C 13 58.141 0.400 . 1 . . . . 253 SER CA . 17487 1 180 . 1 1 55 55 SER CB C 13 63.872 0.400 . 1 . . . . 253 SER CB . 17487 1 181 . 1 1 55 55 SER N N 15 117.968 0.400 . 1 . . . . 253 SER N . 17487 1 182 . 1 1 56 56 VAL H H 1 8.371 0.020 . 1 . . . . 254 VAL H . 17487 1 183 . 1 1 56 56 VAL HA H 1 4.329 0.020 . 1 . . . . 254 VAL HA . 17487 1 184 . 1 1 56 56 VAL C C 13 177.036 0.400 . 1 . . . . 254 VAL C . 17487 1 185 . 1 1 56 56 VAL CA C 13 62.524 0.400 . 1 . . . . 254 VAL CA . 17487 1 186 . 1 1 56 56 VAL CB C 13 32.543 0.400 . 1 . . . . 254 VAL CB . 17487 1 187 . 1 1 56 56 VAL N N 15 121.497 0.400 . 1 . . . . 254 VAL N . 17487 1 188 . 1 1 57 57 ASN H H 1 8.598 0.020 . 1 . . . . 255 ASN H . 17487 1 189 . 1 1 57 57 ASN HA H 1 4.448 0.020 . 1 . . . . 255 ASN HA . 17487 1 190 . 1 1 57 57 ASN CA C 13 53.508 0.400 . 1 . . . . 255 ASN CA . 17487 1 191 . 1 1 57 57 ASN CB C 13 38.921 0.400 . 1 . . . . 255 ASN CB . 17487 1 192 . 1 1 57 57 ASN N N 15 121.754 0.400 . 1 . . . . 255 ASN N . 17487 1 193 . 1 1 58 58 GLY H H 1 8.451 0.020 . 1 . . . . 256 GLY H . 17487 1 194 . 1 1 58 58 GLY C C 13 174.266 0.400 . 1 . . . . 256 GLY C . 17487 1 195 . 1 1 58 58 GLY CA C 13 45.583 0.400 . 1 . . . . 256 GLY CA . 17487 1 196 . 1 1 58 58 GLY N N 15 109.675 0.400 . 1 . . . . 256 GLY N . 17487 1 197 . 1 1 59 59 GLU H H 1 8.407 0.020 . 1 . . . . 257 GLU H . 17487 1 198 . 1 1 59 59 GLU C C 13 176.884 0.400 . 1 . . . . 257 GLU C . 17487 1 199 . 1 1 59 59 GLU CA C 13 56.607 0.400 . 1 . . . . 257 GLU CA . 17487 1 200 . 1 1 59 59 GLU CB C 13 30.142 0.400 . 1 . . . . 257 GLU CB . 17487 1 201 . 1 1 59 59 GLU N N 15 120.568 0.400 . 1 . . . . 257 GLU N . 17487 1 202 . 1 1 60 60 SER H H 1 8.541 0.020 . 1 . . . . 258 SER H . 17487 1 203 . 1 1 60 60 SER C C 13 175.302 0.400 . 1 . . . . 258 SER C . 17487 1 204 . 1 1 60 60 SER CA C 13 58.898 0.400 . 1 . . . . 258 SER CA . 17487 1 205 . 1 1 60 60 SER CB C 13 63.712 0.400 . 1 . . . . 258 SER CB . 17487 1 206 . 1 1 60 60 SER N N 15 116.868 0.400 . 1 . . . . 258 SER N . 17487 1 207 . 1 1 61 61 GLY H H 1 8.509 0.020 . 1 . . . . 259 GLY H . 17487 1 208 . 1 1 61 61 GLY C C 13 174.343 0.400 . 1 . . . . 259 GLY C . 17487 1 209 . 1 1 61 61 GLY CA C 13 45.485 0.400 . 1 . . . . 259 GLY CA . 17487 1 210 . 1 1 61 61 GLY N N 15 110.861 0.400 . 1 . . . . 259 GLY N . 17487 1 211 . 1 1 62 62 SER H H 1 8.256 0.020 . 1 . . . . 260 SER H . 17487 1 212 . 1 1 62 62 SER HA H 1 4.474 0.020 . 1 . . . . 260 SER HA . 17487 1 213 . 1 1 62 62 SER C C 13 174.823 0.400 . 1 . . . . 260 SER C . 17487 1 214 . 1 1 62 62 SER CA C 13 58.468 0.400 . 1 . . . . 260 SER CA . 17487 1 215 . 1 1 62 62 SER CB C 13 63.755 0.400 . 1 . . . . 260 SER CB . 17487 1 216 . 1 1 62 62 SER N N 15 115.619 0.400 . 1 . . . . 260 SER N . 17487 1 217 . 1 1 63 63 ARG H H 1 8.445 0.020 . 1 . . . . 261 ARG H . 17487 1 218 . 1 1 63 63 ARG C C 13 176.066 0.400 . 1 . . . . 261 ARG C . 17487 1 219 . 1 1 63 63 ARG CA C 13 56.632 0.400 . 1 . . . . 261 ARG CA . 17487 1 220 . 1 1 63 63 ARG CB C 13 30.333 0.400 . 1 . . . . 261 ARG CB . 17487 1 221 . 1 1 63 63 ARG N N 15 122.487 0.400 . 1 . . . . 261 ARG N . 17487 1 222 . 1 1 64 64 ASN H H 1 8.453 0.020 . 1 . . . . 262 ASN H . 17487 1 223 . 1 1 64 64 ASN C C 13 175.304 0.400 . 1 . . . . 262 ASN C . 17487 1 224 . 1 1 64 64 ASN CA C 13 53.362 0.400 . 1 . . . . 262 ASN CA . 17487 1 225 . 1 1 64 64 ASN CB C 13 38.522 0.400 . 1 . . . . 262 ASN CB . 17487 1 226 . 1 1 64 64 ASN N N 15 119.405 0.400 . 1 . . . . 262 ASN N . 17487 1 227 . 1 1 65 65 TRP H H 1 8.094 0.020 . 1 . . . . 263 TRP H . 17487 1 228 . 1 1 65 65 TRP HA H 1 4.658 0.020 . 1 . . . . 263 TRP HA . 17487 1 229 . 1 1 65 65 TRP HE1 H 1 10.247 0.020 . 1 . . . . 263 TRP HE1 . 17487 1 230 . 1 1 65 65 TRP C C 13 176.327 0.400 . 1 . . . . 263 TRP C . 17487 1 231 . 1 1 65 65 TRP CA C 13 57.833 0.400 . 1 . . . . 263 TRP CA . 17487 1 232 . 1 1 65 65 TRP CB C 13 29.238 0.400 . 1 . . . . 263 TRP CB . 17487 1 233 . 1 1 65 65 TRP N N 15 122.849 0.400 . 1 . . . . 263 TRP N . 17487 1 234 . 1 1 66 66 ARG H H 1 8.051 0.020 . 1 . . . . 264 ARG H . 17487 1 235 . 1 1 66 66 ARG HA H 1 4.172 0.020 . 1 . . . . 264 ARG HA . 17487 1 236 . 1 1 66 66 ARG C C 13 176.059 0.400 . 1 . . . . 264 ARG C . 17487 1 237 . 1 1 66 66 ARG CA C 13 56.498 0.400 . 1 . . . . 264 ARG CA . 17487 1 238 . 1 1 66 66 ARG CB C 13 30.390 0.400 . 1 . . . . 264 ARG CB . 17487 1 239 . 1 1 66 66 ARG N N 15 121.682 0.400 . 1 . . . . 264 ARG N . 17487 1 240 . 1 1 67 67 LEU H H 1 8.033 0.020 . 1 . . . . 265 LEU H . 17487 1 241 . 1 1 67 67 LEU HA H 1 4.310 0.020 . 1 . . . . 265 LEU HA . 17487 1 242 . 1 1 67 67 LEU C C 13 177.856 0.400 . 1 . . . . 265 LEU C . 17487 1 243 . 1 1 67 67 LEU CA C 13 55.506 0.400 . 1 . . . . 265 LEU CA . 17487 1 244 . 1 1 67 67 LEU CB C 13 42.184 0.400 . 1 . . . . 265 LEU CB . 17487 1 245 . 1 1 67 67 LEU N N 15 121.611 0.400 . 1 . . . . 265 LEU N . 17487 1 246 . 1 1 68 68 GLY H H 1 8.400 0.020 . 1 . . . . 266 GLY H . 17487 1 247 . 1 1 68 68 GLY HA2 H 1 4.037 0.020 . 2 . . . . 266 GLY HA2 . 17487 1 248 . 1 1 68 68 GLY HA3 H 1 4.037 0.020 . 2 . . . . 266 GLY HA3 . 17487 1 249 . 1 1 68 68 GLY C C 13 174.267 0.400 . 1 . . . . 266 GLY C . 17487 1 250 . 1 1 68 68 GLY CA C 13 45.459 0.400 . 1 . . . . 266 GLY CA . 17487 1 251 . 1 1 68 68 GLY N N 15 109.499 0.400 . 1 . . . . 266 GLY N . 17487 1 252 . 1 1 69 69 VAL H H 1 7.988 0.020 . 1 . . . . 267 VAL H . 17487 1 253 . 1 1 69 69 VAL HA H 1 4.191 0.020 . 1 . . . . 267 VAL HA . 17487 1 254 . 1 1 69 69 VAL C C 13 176.334 0.400 . 1 . . . . 267 VAL C . 17487 1 255 . 1 1 69 69 VAL CA C 13 62.490 0.400 . 1 . . . . 267 VAL CA . 17487 1 256 . 1 1 69 69 VAL CB C 13 32.648 0.400 . 1 . . . . 267 VAL CB . 17487 1 257 . 1 1 69 69 VAL N N 15 118.809 0.400 . 1 . . . . 267 VAL N . 17487 1 258 . 1 1 70 70 GLU H H 1 8.651 0.020 . 1 . . . . 268 GLU H . 17487 1 259 . 1 1 70 70 GLU HA H 1 4.358 0.020 . 1 . . . . 268 GLU HA . 17487 1 260 . 1 1 70 70 GLU C C 13 176.570 0.400 . 1 . . . . 268 GLU C . 17487 1 261 . 1 1 70 70 GLU CA C 13 56.747 0.400 . 1 . . . . 268 GLU CA . 17487 1 262 . 1 1 70 70 GLU CB C 13 30.089 0.400 . 1 . . . . 268 GLU CB . 17487 1 263 . 1 1 70 70 GLU N N 15 124.007 0.400 . 1 . . . . 268 GLU N . 17487 1 264 . 1 1 71 71 SER H H 1 8.391 0.020 . 1 . . . . 269 SER H . 17487 1 265 . 1 1 71 71 SER HA H 1 4.508 0.020 . 1 . . . . 269 SER HA . 17487 1 266 . 1 1 71 71 SER C C 13 174.646 0.400 . 1 . . . . 269 SER C . 17487 1 267 . 1 1 71 71 SER CA C 13 58.464 0.400 . 1 . . . . 269 SER CA . 17487 1 268 . 1 1 71 71 SER CB C 13 63.838 0.400 . 1 . . . . 269 SER CB . 17487 1 269 . 1 1 71 71 SER N N 15 117.164 0.400 . 1 . . . . 269 SER N . 17487 1 270 . 1 1 72 72 LYS H H 1 8.433 0.020 . 1 . . . . 270 LYS H . 17487 1 271 . 1 1 72 72 LYS HA H 1 4.395 0.020 . 1 . . . . 270 LYS HA . 17487 1 272 . 1 1 72 72 LYS C C 13 176.417 0.400 . 1 . . . . 270 LYS C . 17487 1 273 . 1 1 72 72 LYS CA C 13 56.370 0.400 . 1 . . . . 270 LYS CA . 17487 1 274 . 1 1 72 72 LYS CB C 13 32.819 0.400 . 1 . . . . 270 LYS CB . 17487 1 275 . 1 1 72 72 LYS N N 15 123.424 0.400 . 1 . . . . 270 LYS N . 17487 1 276 . 1 1 73 73 ALA H H 1 8.390 0.020 . 1 . . . . 271 ALA H . 17487 1 277 . 1 1 73 73 ALA HA H 1 4.168 0.020 . 1 . . . . 271 ALA HA . 17487 1 278 . 1 1 73 73 ALA C C 13 178.199 0.400 . 1 . . . . 271 ALA C . 17487 1 279 . 1 1 73 73 ALA CA C 13 52.811 0.400 . 1 . . . . 271 ALA CA . 17487 1 280 . 1 1 73 73 ALA CB C 13 19.153 0.400 . 1 . . . . 271 ALA CB . 17487 1 281 . 1 1 73 73 ALA N N 15 124.809 0.400 . 1 . . . . 271 ALA N . 17487 1 282 . 1 1 74 74 GLY H H 1 8.431 0.020 . 1 . . . . 272 GLY H . 17487 1 283 . 1 1 74 74 GLY HA2 H 1 4.067 0.020 . 2 . . . . 272 GLY HA2 . 17487 1 284 . 1 1 74 74 GLY HA3 H 1 4.067 0.020 . 2 . . . . 272 GLY HA3 . 17487 1 285 . 1 1 74 74 GLY C C 13 174.707 0.400 . 1 . . . . 272 GLY C . 17487 1 286 . 1 1 74 74 GLY CA C 13 45.471 0.400 . 1 . . . . 272 GLY CA . 17487 1 287 . 1 1 74 74 GLY N N 15 108.359 0.400 . 1 . . . . 272 GLY N . 17487 1 288 . 1 1 75 75 GLY H H 1 8.304 0.020 . 1 . . . . 273 GLY H . 17487 1 289 . 1 1 75 75 GLY HA2 H 1 4.038 0.020 . 2 . . . . 273 GLY HA2 . 17487 1 290 . 1 1 75 75 GLY HA3 H 1 4.038 0.020 . 2 . . . . 273 GLY HA3 . 17487 1 291 . 1 1 75 75 GLY C C 13 173.872 0.400 . 1 . . . . 273 GLY C . 17487 1 292 . 1 1 75 75 GLY CA C 13 45.266 0.400 . 1 . . . . 273 GLY CA . 17487 1 293 . 1 1 75 75 GLY N N 15 108.659 0.400 . 1 . . . . 273 GLY N . 17487 1 294 . 1 1 76 76 ALA H H 1 8.300 0.020 . 1 . . . . 274 ALA H . 17487 1 295 . 1 1 76 76 ALA HA H 1 4.267 0.020 . 1 . . . . 274 ALA HA . 17487 1 296 . 1 1 76 76 ALA C C 13 177.688 0.400 . 1 . . . . 274 ALA C . 17487 1 297 . 1 1 76 76 ALA CA C 13 52.597 0.400 . 1 . . . . 274 ALA CA . 17487 1 298 . 1 1 76 76 ALA CB C 13 18.995 0.400 . 1 . . . . 274 ALA CB . 17487 1 299 . 1 1 76 76 ALA N N 15 123.548 0.400 . 1 . . . . 274 ALA N . 17487 1 300 . 1 1 77 77 LEU H H 1 8.206 0.020 . 1 . . . . 275 LEU H . 17487 1 301 . 1 1 77 77 LEU HA H 1 4.378 0.020 . 1 . . . . 275 LEU HA . 17487 1 302 . 1 1 77 77 LEU C C 13 177.307 0.400 . 1 . . . . 275 LEU C . 17487 1 303 . 1 1 77 77 LEU CA C 13 55.246 0.400 . 1 . . . . 275 LEU CA . 17487 1 304 . 1 1 77 77 LEU CB C 13 42.513 0.400 . 1 . . . . 275 LEU CB . 17487 1 305 . 1 1 77 77 LEU N N 15 121.158 0.400 . 1 . . . . 275 LEU N . 17487 1 306 . 1 1 78 78 CYS H H 1 8.395 0.020 . 1 . . . . 276 CYS H . 17487 1 307 . 1 1 78 78 CYS HA H 1 4.668 0.020 . 1 . . . . 276 CYS HA . 17487 1 308 . 1 1 78 78 CYS C C 13 176.073 0.400 . 1 . . . . 276 CYS C . 17487 1 309 . 1 1 78 78 CYS CA C 13 56.590 0.400 . 1 . . . . 276 CYS CA . 17487 1 310 . 1 1 78 78 CYS CB C 13 30.296 0.400 . 1 . . . . 276 CYS CB . 17487 1 311 . 1 1 78 78 CYS N N 15 121.606 0.400 . 1 . . . . 276 CYS N . 17487 1 312 . 1 1 79 79 ALA C C 13 177.315 0.400 . 1 . . . . 277 ALA C . 17487 1 313 . 1 1 79 79 ALA CA C 13 53.011 0.400 . 1 . . . . 277 ALA CA . 17487 1 314 . 1 1 79 79 ALA CB C 13 19.225 0.400 . 1 . . . . 277 ALA CB . 17487 1 315 . 1 1 80 80 ASN H H 1 8.533 0.020 . 1 . . . . 278 ASN H . 17487 1 316 . 1 1 80 80 ASN C C 13 176.518 0.400 . 1 . . . . 278 ASN C . 17487 1 317 . 1 1 80 80 ASN CA C 13 53.436 0.400 . 1 . . . . 278 ASN CA . 17487 1 318 . 1 1 80 80 ASN CB C 13 38.777 0.400 . 1 . . . . 278 ASN CB . 17487 1 319 . 1 1 80 80 ASN N N 15 117.848 0.400 . 1 . . . . 278 ASN N . 17487 1 320 . 1 1 81 81 GLY H H 1 8.396 0.020 . 1 . . . . 279 GLY H . 17487 1 321 . 1 1 81 81 GLY HA2 H 1 4.043 0.020 . 2 . . . . 279 GLY HA2 . 17487 1 322 . 1 1 81 81 GLY HA3 H 1 4.043 0.020 . 2 . . . . 279 GLY HA3 . 17487 1 323 . 1 1 81 81 GLY C C 13 173.607 0.400 . 1 . . . . 279 GLY C . 17487 1 324 . 1 1 81 81 GLY CA C 13 45.481 0.400 . 1 . . . . 279 GLY CA . 17487 1 325 . 1 1 81 81 GLY N N 15 109.056 0.400 . 1 . . . . 279 GLY N . 17487 1 326 . 1 1 82 82 ALA H H 1 8.127 0.020 . 1 . . . . 280 ALA H . 17487 1 327 . 1 1 82 82 ALA HA H 1 4.438 0.020 . 1 . . . . 280 ALA HA . 17487 1 328 . 1 1 82 82 ALA C C 13 177.417 0.400 . 1 . . . . 280 ALA C . 17487 1 329 . 1 1 82 82 ALA CA C 13 52.301 0.400 . 1 . . . . 280 ALA CA . 17487 1 330 . 1 1 82 82 ALA CB C 13 19.451 0.400 . 1 . . . . 280 ALA CB . 17487 1 331 . 1 1 82 82 ALA N N 15 123.326 0.400 . 1 . . . . 280 ALA N . 17487 1 332 . 1 1 83 83 VAL H H 1 8.184 0.020 . 1 . . . . 281 VAL H . 17487 1 333 . 1 1 83 83 VAL HA H 1 4.192 0.020 . 1 . . . . 281 VAL HA . 17487 1 334 . 1 1 83 83 VAL C C 13 176.044 0.400 . 1 . . . . 281 VAL C . 17487 1 335 . 1 1 83 83 VAL CA C 13 62.289 0.400 . 1 . . . . 281 VAL CA . 17487 1 336 . 1 1 83 83 VAL CB C 13 32.788 0.400 . 1 . . . . 281 VAL CB . 17487 1 337 . 1 1 83 83 VAL N N 15 119.317 0.400 . 1 . . . . 281 VAL N . 17487 1 338 . 1 1 84 84 ARG H H 1 8.569 0.020 . 1 . . . . 282 ARG H . 17487 1 339 . 1 1 84 84 ARG HA H 1 4.438 0.020 . 1 . . . . 282 ARG HA . 17487 1 340 . 1 1 84 84 ARG C C 13 175.914 0.400 . 1 . . . . 282 ARG C . 17487 1 341 . 1 1 84 84 ARG CA C 13 55.863 0.400 . 1 . . . . 282 ARG CA . 17487 1 342 . 1 1 84 84 ARG CB C 13 30.929 0.400 . 1 . . . . 282 ARG CB . 17487 1 343 . 1 1 84 84 ARG N N 15 125.513 0.400 . 1 . . . . 282 ARG N . 17487 1 344 . 1 1 85 85 GLN H H 1 8.638 0.020 . 1 . . . . 283 GLN H . 17487 1 345 . 1 1 85 85 GLN HA H 1 4.454 0.020 . 1 . . . . 283 GLN HA . 17487 1 346 . 1 1 85 85 GLN C C 13 176.341 0.400 . 1 . . . . 283 GLN C . 17487 1 347 . 1 1 85 85 GLN CA C 13 55.972 0.400 . 1 . . . . 283 GLN CA . 17487 1 348 . 1 1 85 85 GLN CB C 13 29.715 0.400 . 1 . . . . 283 GLN CB . 17487 1 349 . 1 1 85 85 GLN N N 15 122.596 0.400 . 1 . . . . 283 GLN N . 17487 1 350 . 1 1 86 86 GLY H H 1 8.615 0.020 . 1 . . . . 284 GLY H . 17487 1 351 . 1 1 86 86 GLY HA2 H 1 4.062 0.020 . 2 . . . . 284 GLY HA2 . 17487 1 352 . 1 1 86 86 GLY HA3 H 1 4.062 0.020 . 2 . . . . 284 GLY HA3 . 17487 1 353 . 1 1 86 86 GLY C C 13 173.947 0.400 . 1 . . . . 284 GLY C . 17487 1 354 . 1 1 86 86 GLY CA C 13 45.307 0.400 . 1 . . . . 284 GLY CA . 17487 1 355 . 1 1 86 86 GLY N N 15 110.636 0.400 . 1 . . . . 284 GLY N . 17487 1 356 . 1 1 87 87 ASP H H 1 8.397 0.020 . 1 . . . . 285 ASP H . 17487 1 357 . 1 1 87 87 ASP HA H 1 4.704 0.020 . 1 . . . . 285 ASP HA . 17487 1 358 . 1 1 87 87 ASP C C 13 176.244 0.400 . 1 . . . . 285 ASP C . 17487 1 359 . 1 1 87 87 ASP CA C 13 54.532 0.400 . 1 . . . . 285 ASP CA . 17487 1 360 . 1 1 87 87 ASP CB C 13 41.251 0.400 . 1 . . . . 285 ASP CB . 17487 1 361 . 1 1 87 87 ASP N N 15 120.585 0.400 . 1 . . . . 285 ASP N . 17487 1 362 . 1 1 88 88 ASP H H 1 8.483 0.020 . 1 . . . . 286 ASP H . 17487 1 363 . 1 1 88 88 ASP HA H 1 4.641 0.020 . 1 . . . . 286 ASP HA . 17487 1 364 . 1 1 88 88 ASP C C 13 177.002 0.400 . 1 . . . . 286 ASP C . 17487 1 365 . 1 1 88 88 ASP CA C 13 54.557 0.400 . 1 . . . . 286 ASP CA . 17487 1 366 . 1 1 88 88 ASP CB C 13 41.008 0.400 . 1 . . . . 286 ASP CB . 17487 1 367 . 1 1 88 88 ASP N N 15 120.521 0.400 . 1 . . . . 286 ASP N . 17487 1 368 . 1 1 89 89 GLY H H 1 8.487 0.020 . 1 . . . . 287 GLY H . 17487 1 369 . 1 1 89 89 GLY HA2 H 1 3.984 0.020 . 2 . . . . 287 GLY HA2 . 17487 1 370 . 1 1 89 89 GLY HA3 H 1 3.984 0.020 . 2 . . . . 287 GLY HA3 . 17487 1 371 . 1 1 89 89 GLY C C 13 174.230 0.400 . 1 . . . . 287 GLY C . 17487 1 372 . 1 1 89 89 GLY CA C 13 45.656 0.400 . 1 . . . . 287 GLY CA . 17487 1 373 . 1 1 89 89 GLY N N 15 109.206 0.400 . 1 . . . . 287 GLY N . 17487 1 374 . 1 1 90 90 ALA H H 1 8.098 0.020 . 1 . . . . 288 ALA H . 17487 1 375 . 1 1 90 90 ALA HA H 1 4.362 0.020 . 1 . . . . 288 ALA HA . 17487 1 376 . 1 1 90 90 ALA C C 13 177.581 0.400 . 1 . . . . 288 ALA C . 17487 1 377 . 1 1 90 90 ALA CA C 13 52.586 0.400 . 1 . . . . 288 ALA CA . 17487 1 378 . 1 1 90 90 ALA CB C 13 19.251 0.400 . 1 . . . . 288 ALA CB . 17487 1 379 . 1 1 90 90 ALA N N 15 123.743 0.400 . 1 . . . . 288 ALA N . 17487 1 380 . 1 1 91 91 ALA H H 1 8.308 0.020 . 1 . . . . 289 ALA H . 17487 1 381 . 1 1 91 91 ALA HA H 1 4.356 0.020 . 1 . . . . 289 ALA HA . 17487 1 382 . 1 1 91 91 ALA C C 13 177.693 0.400 . 1 . . . . 289 ALA C . 17487 1 383 . 1 1 91 91 ALA CA C 13 52.672 0.400 . 1 . . . . 289 ALA CA . 17487 1 384 . 1 1 91 91 ALA CB C 13 19.223 0.400 . 1 . . . . 289 ALA CB . 17487 1 385 . 1 1 91 91 ALA N N 15 122.886 0.400 . 1 . . . . 289 ALA N . 17487 1 386 . 1 1 92 92 LEU H H 1 8.335 0.020 . 1 . . . . 290 LEU H . 17487 1 387 . 1 1 92 92 LEU HA H 1 4.481 0.020 . 1 . . . . 290 LEU HA . 17487 1 388 . 1 1 92 92 LEU C C 13 177.351 0.400 . 1 . . . . 290 LEU C . 17487 1 389 . 1 1 92 92 LEU CA C 13 55.224 0.400 . 1 . . . . 290 LEU CA . 17487 1 390 . 1 1 92 92 LEU CB C 13 42.444 0.400 . 1 . . . . 290 LEU CB . 17487 1 391 . 1 1 92 92 LEU N N 15 120.798 0.400 . 1 . . . . 290 LEU N . 17487 1 392 . 1 1 93 93 GLU H H 1 8.396 0.020 . 1 . . . . 291 GLU H . 17487 1 393 . 1 1 93 93 GLU C C 13 176.145 0.400 . 1 . . . . 291 GLU C . 17487 1 394 . 1 1 93 93 GLU CA C 13 56.503 0.400 . 1 . . . . 291 GLU CA . 17487 1 395 . 1 1 93 93 GLU CB C 13 30.412 0.400 . 1 . . . . 291 GLU CB . 17487 1 396 . 1 1 93 93 GLU N N 15 121.407 0.400 . 1 . . . . 291 GLU N . 17487 1 397 . 1 1 94 94 VAL H H 1 8.241 0.020 . 1 . . . . 292 VAL H . 17487 1 398 . 1 1 94 94 VAL HA H 1 4.139 0.020 . 1 . . . . 292 VAL HA . 17487 1 399 . 1 1 94 94 VAL C C 13 175.942 0.400 . 1 . . . . 292 VAL C . 17487 1 400 . 1 1 94 94 VAL CA C 13 62.565 0.400 . 1 . . . . 292 VAL CA . 17487 1 401 . 1 1 94 94 VAL CB C 13 32.505 0.400 . 1 . . . . 292 VAL CB . 17487 1 402 . 1 1 94 94 VAL N N 15 121.708 0.400 . 1 . . . . 292 VAL N . 17487 1 403 . 1 1 95 95 ILE H H 1 8.276 0.020 . 1 . . . . 293 ILE H . 17487 1 404 . 1 1 95 95 ILE HA H 1 4.237 0.020 . 1 . . . . 293 ILE HA . 17487 1 405 . 1 1 95 95 ILE C C 13 176.032 0.400 . 1 . . . . 293 ILE C . 17487 1 406 . 1 1 95 95 ILE CA C 13 61.185 0.400 . 1 . . . . 293 ILE CA . 17487 1 407 . 1 1 95 95 ILE CB C 13 38.643 0.400 . 1 . . . . 293 ILE CB . 17487 1 408 . 1 1 95 95 ILE N N 15 124.820 0.400 . 1 . . . . 293 ILE N . 17487 1 409 . 1 1 96 96 GLU H H 1 8.691 0.020 . 1 . . . . 294 GLU H . 17487 1 410 . 1 1 96 96 GLU HA H 1 4.326 0.020 . 1 . . . . 294 GLU HA . 17487 1 411 . 1 1 96 96 GLU C C 13 176.421 0.400 . 1 . . . . 294 GLU C . 17487 1 412 . 1 1 96 96 GLU CA C 13 56.686 0.400 . 1 . . . . 294 GLU CA . 17487 1 413 . 1 1 96 96 GLU CB C 13 30.302 0.400 . 1 . . . . 294 GLU CB . 17487 1 414 . 1 1 96 96 GLU N N 15 125.408 0.400 . 1 . . . . 294 GLU N . 17487 1 415 . 1 1 97 97 VAL H H 1 8.241 0.020 . 1 . . . . 295 VAL H . 17487 1 416 . 1 1 97 97 VAL HA H 1 4.145 0.020 . 1 . . . . 295 VAL HA . 17487 1 417 . 1 1 97 97 VAL C C 13 175.954 0.400 . 1 . . . . 295 VAL C . 17487 1 418 . 1 1 97 97 VAL CA C 13 62.441 0.400 . 1 . . . . 295 VAL CA . 17487 1 419 . 1 1 97 97 VAL CB C 13 32.634 0.400 . 1 . . . . 295 VAL CB . 17487 1 420 . 1 1 97 97 VAL N N 15 121.692 0.400 . 1 . . . . 295 VAL N . 17487 1 421 . 1 1 98 98 HIS H H 1 8.635 0.020 . 1 . . . . 296 HIS H . 17487 1 422 . 1 1 98 98 HIS HA H 1 4.416 0.020 . 1 . . . . 296 HIS HA . 17487 1 423 . 1 1 98 98 HIS C C 13 176.219 0.400 . 1 . . . . 296 HIS C . 17487 1 424 . 1 1 98 98 HIS CA C 13 56.326 0.400 . 1 . . . . 296 HIS CA . 17487 1 425 . 1 1 98 98 HIS CB C 13 30.492 0.400 . 1 . . . . 296 HIS CB . 17487 1 426 . 1 1 98 98 HIS N N 15 125.948 0.400 . 1 . . . . 296 HIS N . 17487 1 427 . 1 1 99 99 ARG H H 1 8.410 0.020 . 1 . . . . 297 ARG H . 17487 1 428 . 1 1 99 99 ARG C C 13 176.630 0.400 . 1 . . . . 297 ARG C . 17487 1 429 . 1 1 99 99 ARG CA C 13 56.237 0.400 . 1 . . . . 297 ARG CA . 17487 1 430 . 1 1 99 99 ARG CB C 13 31.433 0.400 . 1 . . . . 297 ARG CB . 17487 1 431 . 1 1 99 99 ARG N N 15 122.547 0.400 . 1 . . . . 297 ARG N . 17487 1 432 . 1 1 100 100 VAL H H 1 8.338 0.020 . 1 . . . . 298 VAL H . 17487 1 433 . 1 1 100 100 VAL HA H 1 4.182 0.020 . 1 . . . . 298 VAL HA . 17487 1 434 . 1 1 100 100 VAL C C 13 176.639 0.400 . 1 . . . . 298 VAL C . 17487 1 435 . 1 1 100 100 VAL CA C 13 62.544 0.400 . 1 . . . . 298 VAL CA . 17487 1 436 . 1 1 100 100 VAL CB C 13 32.594 0.400 . 1 . . . . 298 VAL CB . 17487 1 437 . 1 1 100 100 VAL N N 15 121.557 0.400 . 1 . . . . 298 VAL N . 17487 1 438 . 1 1 101 101 GLY H H 1 8.606 0.020 . 1 . . . . 299 GLY H . 17487 1 439 . 1 1 101 101 GLY HA2 H 1 4.050 0.020 . 2 . . . . 299 GLY HA2 . 17487 1 440 . 1 1 101 101 GLY HA3 H 1 4.050 0.020 . 2 . . . . 299 GLY HA3 . 17487 1 441 . 1 1 101 101 GLY C C 13 173.868 0.400 . 1 . . . . 299 GLY C . 17487 1 442 . 1 1 101 101 GLY CA C 13 45.317 0.400 . 1 . . . . 299 GLY CA . 17487 1 443 . 1 1 101 101 GLY N N 15 112.582 0.400 . 1 . . . . 299 GLY N . 17487 1 444 . 1 1 102 102 ASN H H 1 8.462 0.020 . 1 . . . . 300 ASN H . 17487 1 445 . 1 1 102 102 ASN HA H 1 4.790 0.020 . 1 . . . . 300 ASN HA . 17487 1 446 . 1 1 102 102 ASN C C 13 175.507 0.400 . 1 . . . . 300 ASN C . 17487 1 447 . 1 1 102 102 ASN CA C 13 53.194 0.400 . 1 . . . . 300 ASN CA . 17487 1 448 . 1 1 102 102 ASN CB C 13 38.940 0.400 . 1 . . . . 300 ASN CB . 17487 1 449 . 1 1 102 102 ASN N N 15 119.040 0.400 . 1 . . . . 300 ASN N . 17487 1 450 . 1 1 103 103 SER H H 1 8.461 0.020 . 1 . . . . 301 SER H . 17487 1 451 . 1 1 103 103 SER HA H 1 4.814 0.020 . 1 . . . . 301 SER HA . 17487 1 452 . 1 1 103 103 SER C C 13 174.810 0.400 . 1 . . . . 301 SER C . 17487 1 453 . 1 1 103 103 SER CA C 13 58.787 0.400 . 1 . . . . 301 SER CA . 17487 1 454 . 1 1 103 103 SER CB C 13 63.756 0.400 . 1 . . . . 301 SER CB . 17487 1 455 . 1 1 103 103 SER N N 15 116.448 0.400 . 1 . . . . 301 SER N . 17487 1 456 . 1 1 104 104 LYS H H 1 8.508 0.020 . 1 . . . . 302 LYS H . 17487 1 457 . 1 1 104 104 LYS HA H 1 4.375 0.020 . 1 . . . . 302 LYS HA . 17487 1 458 . 1 1 104 104 LYS C C 13 176.561 0.400 . 1 . . . . 302 LYS C . 17487 1 459 . 1 1 104 104 LYS CA C 13 56.639 0.400 . 1 . . . . 302 LYS CA . 17487 1 460 . 1 1 104 104 LYS CB C 13 32.606 0.400 . 1 . . . . 302 LYS CB . 17487 1 461 . 1 1 104 104 LYS N N 15 122.652 0.400 . 1 . . . . 302 LYS N . 17487 1 462 . 1 1 105 105 GLU H H 1 8.323 0.020 . 1 . . . . 303 GLU H . 17487 1 463 . 1 1 105 105 GLU HA H 1 4.182 0.020 . 1 . . . . 303 GLU HA . 17487 1 464 . 1 1 105 105 GLU C C 13 175.894 0.400 . 1 . . . . 303 GLU C . 17487 1 465 . 1 1 105 105 GLU CA C 13 56.735 0.400 . 1 . . . . 303 GLU CA . 17487 1 466 . 1 1 105 105 GLU CB C 13 30.296 0.400 . 1 . . . . 303 GLU CB . 17487 1 467 . 1 1 105 105 GLU N N 15 120.664 0.400 . 1 . . . . 303 GLU N . 17487 1 468 . 1 1 106 106 HIS C C 13 173.214 0.400 . 1 . . . . 304 HIS C . 17487 1 469 . 1 1 106 106 HIS CA C 13 55.797 0.400 . 1 . . . . 304 HIS CA . 17487 1 470 . 1 1 106 106 HIS CB C 13 29.770 0.400 . 1 . . . . 304 HIS CB . 17487 1 471 . 1 1 107 107 LEU H H 1 7.947 0.020 . 1 . . . . 305 LEU H . 17487 1 472 . 1 1 107 107 LEU HA H 1 4.459 0.020 . 1 . . . . 305 LEU HA . 17487 1 473 . 1 1 107 107 LEU C C 13 175.457 0.400 . 1 . . . . 305 LEU C . 17487 1 474 . 1 1 107 107 LEU CA C 13 52.587 0.400 . 1 . . . . 305 LEU CA . 17487 1 475 . 1 1 107 107 LEU CB C 13 42.842 0.400 . 1 . . . . 305 LEU CB . 17487 1 476 . 1 1 107 107 LEU N N 15 122.479 0.400 . 1 . . . . 305 LEU N . 17487 1 477 . 1 1 108 108 PRO CA C 13 62.822 0.400 . 1 . . . . 306 PRO CA . 17487 1 478 . 1 1 108 108 PRO CB C 13 31.811 0.400 . 1 . . . . 306 PRO CB . 17487 1 479 . 1 1 109 109 LEU H H 1 8.469 0.020 . 1 . . . . 307 LEU H . 17487 1 480 . 1 1 109 109 LEU HA H 1 4.665 0.020 . 1 . . . . 307 LEU HA . 17487 1 481 . 1 1 109 109 LEU CA C 13 53.117 0.400 . 1 . . . . 307 LEU CA . 17487 1 482 . 1 1 109 109 LEU CB C 13 41.746 0.400 . 1 . . . . 307 LEU CB . 17487 1 483 . 1 1 109 109 LEU N N 15 123.745 0.400 . 1 . . . . 307 LEU N . 17487 1 484 . 1 1 110 110 PRO C C 13 177.114 0.400 . 1 . . . . 308 PRO C . 17487 1 485 . 1 1 110 110 PRO CA C 13 63.574 0.400 . 1 . . . . 308 PRO CA . 17487 1 486 . 1 1 110 110 PRO CB C 13 31.913 0.400 . 1 . . . . 308 PRO CB . 17487 1 487 . 1 1 111 111 SER H H 1 8.333 0.020 . 1 . . . . 309 SER H . 17487 1 488 . 1 1 111 111 SER HA H 1 4.468 0.020 . 1 . . . . 309 SER HA . 17487 1 489 . 1 1 111 111 SER C C 13 174.848 0.400 . 1 . . . . 309 SER C . 17487 1 490 . 1 1 111 111 SER CA C 13 58.632 0.400 . 1 . . . . 309 SER CA . 17487 1 491 . 1 1 111 111 SER CB C 13 63.681 0.400 . 1 . . . . 309 SER CB . 17487 1 492 . 1 1 111 111 SER N N 15 114.676 0.400 . 1 . . . . 309 SER N . 17487 1 493 . 1 1 112 112 GLU H H 1 8.445 0.020 . 1 . . . . 310 GLU H . 17487 1 494 . 1 1 112 112 GLU HA H 1 4.356 0.020 . 1 . . . . 310 GLU HA . 17487 1 495 . 1 1 112 112 GLU C C 13 176.040 0.400 . 1 . . . . 310 GLU C . 17487 1 496 . 1 1 112 112 GLU CA C 13 56.672 0.400 . 1 . . . . 310 GLU CA . 17487 1 497 . 1 1 112 112 GLU CB C 13 30.256 0.400 . 1 . . . . 310 GLU CB . 17487 1 498 . 1 1 112 112 GLU N N 15 122.493 0.400 . 1 . . . . 310 GLU N . 17487 1 499 . 1 1 113 113 ALA H H 1 8.284 0.020 . 1 . . . . 311 ALA H . 17487 1 500 . 1 1 113 113 ALA HA H 1 4.237 0.020 . 1 . . . . 311 ALA HA . 17487 1 501 . 1 1 113 113 ALA C C 13 177.733 0.400 . 1 . . . . 311 ALA C . 17487 1 502 . 1 1 113 113 ALA CA C 13 52.610 0.400 . 1 . . . . 311 ALA CA . 17487 1 503 . 1 1 113 113 ALA CB C 13 19.449 0.400 . 1 . . . . 311 ALA CB . 17487 1 504 . 1 1 113 113 ALA N N 15 124.399 0.400 . 1 . . . . 311 ALA N . 17487 1 505 . 1 1 114 114 GLY H H 1 8.210 0.020 . 1 . . . . 312 GLY H . 17487 1 506 . 1 1 114 114 GLY HA2 H 1 4.191 0.020 . 2 . . . . 312 GLY HA2 . 17487 1 507 . 1 1 114 114 GLY HA3 H 1 4.191 0.020 . 2 . . . . 312 GLY HA3 . 17487 1 508 . 1 1 114 114 GLY C C 13 171.533 0.400 . 1 . . . . 312 GLY C . 17487 1 509 . 1 1 114 114 GLY CA C 13 44.488 0.400 . 1 . . . . 312 GLY CA . 17487 1 510 . 1 1 114 114 GLY N N 15 108.068 0.400 . 1 . . . . 312 GLY N . 17487 1 511 . 1 1 115 115 PRO C C 13 177.024 0.400 . 1 . . . . 313 PRO C . 17487 1 512 . 1 1 115 115 PRO CA C 13 62.971 0.400 . 1 . . . . 313 PRO CA . 17487 1 513 . 1 1 115 115 PRO CB C 13 32.063 0.400 . 1 . . . . 313 PRO CB . 17487 1 514 . 1 1 116 116 THR H H 1 8.431 0.020 . 1 . . . . 314 THR H . 17487 1 515 . 1 1 116 116 THR HA H 1 4.720 0.020 . 1 . . . . 314 THR HA . 17487 1 516 . 1 1 116 116 THR C C 13 173.011 0.400 . 1 . . . . 314 THR C . 17487 1 517 . 1 1 116 116 THR CA C 13 59.790 0.400 . 1 . . . . 314 THR CA . 17487 1 518 . 1 1 116 116 THR CB C 13 69.863 0.400 . 1 . . . . 314 THR CB . 17487 1 519 . 1 1 116 116 THR N N 15 116.926 0.400 . 1 . . . . 314 THR N . 17487 1 520 . 1 1 120 120 PRO C C 13 176.780 0.400 . 1 . . . . 318 PRO C . 17487 1 521 . 1 1 120 120 PRO CA C 13 63.155 0.400 . 1 . . . . 318 PRO CA . 17487 1 522 . 1 1 120 120 PRO CB C 13 31.876 0.400 . 1 . . . . 318 PRO CB . 17487 1 523 . 1 1 121 121 ALA H H 1 8.516 0.020 . 1 . . . . 319 ALA H . 17487 1 524 . 1 1 121 121 ALA C C 13 177.801 0.400 . 1 . . . . 319 ALA C . 17487 1 525 . 1 1 121 121 ALA CA C 13 52.693 0.400 . 1 . . . . 319 ALA CA . 17487 1 526 . 1 1 121 121 ALA CB C 13 19.179 0.400 . 1 . . . . 319 ALA CB . 17487 1 527 . 1 1 121 121 ALA N N 15 123.888 0.400 . 1 . . . . 319 ALA N . 17487 1 528 . 1 1 122 122 SER H H 1 8.283 0.020 . 1 . . . . 320 SER H . 17487 1 529 . 1 1 122 122 SER HA H 1 4.456 0.020 . 1 . . . . 320 SER HA . 17487 1 530 . 1 1 122 122 SER C C 13 174.419 0.400 . 1 . . . . 320 SER C . 17487 1 531 . 1 1 122 122 SER CA C 13 58.363 0.400 . 1 . . . . 320 SER CA . 17487 1 532 . 1 1 122 122 SER CB C 13 63.861 0.400 . 1 . . . . 320 SER CB . 17487 1 533 . 1 1 122 122 SER N N 15 114.481 0.400 . 1 . . . . 320 SER N . 17487 1 534 . 1 1 123 123 PHE H H 1 8.269 0.020 . 1 . . . . 321 PHE H . 17487 1 535 . 1 1 123 123 PHE HA H 1 4.679 0.020 . 1 . . . . 321 PHE HA . 17487 1 536 . 1 1 123 123 PHE C C 13 175.619 0.400 . 1 . . . . 321 PHE C . 17487 1 537 . 1 1 123 123 PHE CA C 13 58.026 0.400 . 1 . . . . 321 PHE CA . 17487 1 538 . 1 1 123 123 PHE CB C 13 39.437 0.400 . 1 . . . . 321 PHE CB . 17487 1 539 . 1 1 123 123 PHE N N 15 121.810 0.400 . 1 . . . . 321 PHE N . 17487 1 540 . 1 1 124 124 GLU H H 1 8.362 0.020 . 1 . . . . 322 GLU H . 17487 1 541 . 1 1 124 124 GLU C C 13 176.577 0.400 . 1 . . . . 322 GLU C . 17487 1 542 . 1 1 124 124 GLU CA C 13 56.535 0.400 . 1 . . . . 322 GLU CA . 17487 1 543 . 1 1 124 124 GLU CB C 13 30.380 0.400 . 1 . . . . 322 GLU CB . 17487 1 544 . 1 1 124 124 GLU N N 15 122.097 0.400 . 1 . . . . 322 GLU N . 17487 1 545 . 1 1 125 125 ARG H H 1 8.464 0.020 . 1 . . . . 323 ARG H . 17487 1 546 . 1 1 125 125 ARG HA H 1 4.467 0.020 . 1 . . . . 323 ARG HA . 17487 1 547 . 1 1 125 125 ARG C C 13 176.094 0.400 . 1 . . . . 323 ARG C . 17487 1 548 . 1 1 125 125 ARG CA C 13 57.093 0.400 . 1 . . . . 323 ARG CA . 17487 1 549 . 1 1 125 125 ARG CB C 13 30.238 0.400 . 1 . . . . 323 ARG CB . 17487 1 550 . 1 1 125 125 ARG N N 15 122.374 0.400 . 1 . . . . 323 ARG N . 17487 1 551 . 1 1 126 126 LYS C C 13 176.623 0.400 . 1 . . . . 324 LYS C . 17487 1 552 . 1 1 126 126 LYS CA C 13 57.116 0.400 . 1 . . . . 324 LYS CA . 17487 1 553 . 1 1 126 126 LYS CB C 13 32.717 0.400 . 1 . . . . 324 LYS CB . 17487 1 554 . 1 1 127 127 ASN H H 1 8.577 0.020 . 1 . . . . 325 ASN H . 17487 1 555 . 1 1 127 127 ASN C C 13 175.576 0.400 . 1 . . . . 325 ASN C . 17487 1 556 . 1 1 127 127 ASN CA C 13 53.655 0.400 . 1 . . . . 325 ASN CA . 17487 1 557 . 1 1 127 127 ASN CB C 13 38.561 0.400 . 1 . . . . 325 ASN CB . 17487 1 558 . 1 1 127 127 ASN N N 15 119.369 0.400 . 1 . . . . 325 ASN N . 17487 1 559 . 1 1 128 128 GLU H H 1 8.464 0.020 . 1 . . . . 326 GLU H . 17487 1 560 . 1 1 128 128 GLU C C 13 177.013 0.400 . 1 . . . . 326 GLU C . 17487 1 561 . 1 1 128 128 GLU CA C 13 57.179 0.400 . 1 . . . . 326 GLU CA . 17487 1 562 . 1 1 128 128 GLU CB C 13 30.028 0.400 . 1 . . . . 326 GLU CB . 17487 1 563 . 1 1 128 128 GLU N N 15 121.872 0.400 . 1 . . . . 326 GLU N . 17487 1 564 . 1 1 129 129 ARG H H 1 8.469 0.020 . 1 . . . . 327 ARG H . 17487 1 565 . 1 1 129 129 ARG C C 13 177.003 0.400 . 1 . . . . 327 ARG C . 17487 1 566 . 1 1 129 129 ARG CA C 13 57.167 0.400 . 1 . . . . 327 ARG CA . 17487 1 567 . 1 1 129 129 ARG CB C 13 30.239 0.400 . 1 . . . . 327 ARG CB . 17487 1 568 . 1 1 129 129 ARG N N 15 121.486 0.400 . 1 . . . . 327 ARG N . 17487 1 569 . 1 1 130 130 ASN H H 1 8.486 0.020 . 1 . . . . 328 ASN H . 17487 1 570 . 1 1 130 130 ASN HA H 1 4.645 0.020 . 1 . . . . 328 ASN HA . 17487 1 571 . 1 1 130 130 ASN C C 13 175.745 0.400 . 1 . . . . 328 ASN C . 17487 1 572 . 1 1 130 130 ASN CA C 13 53.973 0.400 . 1 . . . . 328 ASN CA . 17487 1 573 . 1 1 130 130 ASN CB C 13 39.018 0.400 . 1 . . . . 328 ASN CB . 17487 1 574 . 1 1 130 130 ASN N N 15 119.498 0.400 . 1 . . . . 328 ASN N . 17487 1 575 . 1 1 131 131 ALA H H 1 8.389 0.020 . 1 . . . . 329 ALA H . 17487 1 576 . 1 1 131 131 ALA C C 13 179.284 0.400 . 1 . . . . 329 ALA C . 17487 1 577 . 1 1 131 131 ALA CA C 13 54.351 0.400 . 1 . . . . 329 ALA CA . 17487 1 578 . 1 1 131 131 ALA CB C 13 18.692 0.400 . 1 . . . . 329 ALA CB . 17487 1 579 . 1 1 131 131 ALA N N 15 124.007 0.400 . 1 . . . . 329 ALA N . 17487 1 580 . 1 1 132 132 GLU H H 1 8.433 0.020 . 1 . . . . 330 GLU H . 17487 1 581 . 1 1 132 132 GLU HA H 1 4.245 0.020 . 1 . . . . 330 GLU HA . 17487 1 582 . 1 1 132 132 GLU C C 13 177.604 0.400 . 1 . . . . 330 GLU C . 17487 1 583 . 1 1 132 132 GLU CA C 13 58.084 0.400 . 1 . . . . 330 GLU CA . 17487 1 584 . 1 1 132 132 GLU CB C 13 29.785 0.400 . 1 . . . . 330 GLU CB . 17487 1 585 . 1 1 132 132 GLU N N 15 119.670 0.400 . 1 . . . . 330 GLU N . 17487 1 586 . 1 1 133 133 ALA H H 1 8.202 0.020 . 1 . . . . 331 ALA H . 17487 1 587 . 1 1 133 133 ALA HA H 1 4.224 0.020 . 1 . . . . 331 ALA HA . 17487 1 588 . 1 1 133 133 ALA C C 13 179.536 0.400 . 1 . . . . 331 ALA C . 17487 1 589 . 1 1 133 133 ALA CA C 13 54.174 0.400 . 1 . . . . 331 ALA CA . 17487 1 590 . 1 1 133 133 ALA CB C 13 18.505 0.400 . 1 . . . . 331 ALA CB . 17487 1 591 . 1 1 133 133 ALA N N 15 123.473 0.400 . 1 . . . . 331 ALA N . 17487 1 592 . 1 1 134 134 LYS H H 1 8.154 0.020 . 1 . . . . 332 LYS H . 17487 1 593 . 1 1 134 134 LYS HA H 1 4.218 0.020 . 1 . . . . 332 LYS HA . 17487 1 594 . 1 1 134 134 LYS C C 13 178.190 0.400 . 1 . . . . 332 LYS C . 17487 1 595 . 1 1 134 134 LYS CA C 13 58.082 0.400 . 1 . . . . 332 LYS CA . 17487 1 596 . 1 1 134 134 LYS CB C 13 32.419 0.400 . 1 . . . . 332 LYS CB . 17487 1 597 . 1 1 134 134 LYS N N 15 118.836 0.400 . 1 . . . . 332 LYS N . 17487 1 598 . 1 1 135 135 ARG H H 1 8.150 0.020 . 1 . . . . 333 ARG H . 17487 1 599 . 1 1 135 135 ARG HA H 1 4.237 0.020 . 1 . . . . 333 ARG HA . 17487 1 600 . 1 1 135 135 ARG C C 13 177.679 0.400 . 1 . . . . 333 ARG C . 17487 1 601 . 1 1 135 135 ARG CA C 13 58.004 0.400 . 1 . . . . 333 ARG CA . 17487 1 602 . 1 1 135 135 ARG CB C 13 30.453 0.400 . 1 . . . . 333 ARG CB . 17487 1 603 . 1 1 135 135 ARG N N 15 121.383 0.400 . 1 . . . . 333 ARG N . 17487 1 604 . 1 1 136 136 LYS H H 1 8.291 0.020 . 1 . . . . 334 LYS H . 17487 1 605 . 1 1 136 136 LYS C C 13 178.130 0.400 . 1 . . . . 334 LYS C . 17487 1 606 . 1 1 136 136 LYS CA C 13 58.186 0.400 . 1 . . . . 334 LYS CA . 17487 1 607 . 1 1 136 136 LYS CB C 13 32.502 0.400 . 1 . . . . 334 LYS CB . 17487 1 608 . 1 1 136 136 LYS N N 15 120.555 0.400 . 1 . . . . 334 LYS N . 17487 1 609 . 1 1 137 137 MET H H 1 8.209 0.020 . 1 . . . . 335 MET H . 17487 1 610 . 1 1 137 137 MET HA H 1 4.382 0.020 . 1 . . . . 335 MET HA . 17487 1 611 . 1 1 137 137 MET C C 13 176.963 0.400 . 1 . . . . 335 MET C . 17487 1 612 . 1 1 137 137 MET CA C 13 56.829 0.400 . 1 . . . . 335 MET CA . 17487 1 613 . 1 1 137 137 MET CB C 13 32.585 0.400 . 1 . . . . 335 MET CB . 17487 1 614 . 1 1 137 137 MET N N 15 120.136 0.400 . 1 . . . . 335 MET N . 17487 1 615 . 1 1 138 138 ALA H H 1 8.137 0.020 . 1 . . . . 336 ALA H . 17487 1 616 . 1 1 138 138 ALA HA H 1 4.343 0.020 . 1 . . . . 336 ALA HA . 17487 1 617 . 1 1 138 138 ALA C C 13 178.762 0.400 . 1 . . . . 336 ALA C . 17487 1 618 . 1 1 138 138 ALA CA C 13 53.652 0.400 . 1 . . . . 336 ALA CA . 17487 1 619 . 1 1 138 138 ALA CB C 13 18.574 0.400 . 1 . . . . 336 ALA CB . 17487 1 620 . 1 1 138 138 ALA N N 15 123.848 0.400 . 1 . . . . 336 ALA N . 17487 1 621 . 1 1 139 139 LEU H H 1 8.111 0.020 . 1 . . . . 337 LEU H . 17487 1 622 . 1 1 139 139 LEU HA H 1 4.317 0.020 . 1 . . . . 337 LEU HA . 17487 1 623 . 1 1 139 139 LEU C C 13 177.988 0.400 . 1 . . . . 337 LEU C . 17487 1 624 . 1 1 139 139 LEU CA C 13 56.036 0.400 . 1 . . . . 337 LEU CA . 17487 1 625 . 1 1 139 139 LEU CB C 13 42.267 0.400 . 1 . . . . 337 LEU CB . 17487 1 626 . 1 1 139 139 LEU N N 15 120.333 0.400 . 1 . . . . 337 LEU N . 17487 1 627 . 1 1 140 140 ALA H H 1 8.081 0.020 . 1 . . . . 338 ALA H . 17487 1 628 . 1 1 140 140 ALA HA H 1 4.356 0.020 . 1 . . . . 338 ALA HA . 17487 1 629 . 1 1 140 140 ALA C C 13 178.442 0.400 . 1 . . . . 338 ALA C . 17487 1 630 . 1 1 140 140 ALA CA C 13 53.305 0.400 . 1 . . . . 338 ALA CA . 17487 1 631 . 1 1 140 140 ALA CB C 13 18.780 0.400 . 1 . . . . 338 ALA CB . 17487 1 632 . 1 1 140 140 ALA N N 15 123.243 0.400 . 1 . . . . 338 ALA N . 17487 1 633 . 1 1 141 141 ARG H H 1 8.126 0.020 . 1 . . . . 339 ARG H . 17487 1 634 . 1 1 141 141 ARG HA H 1 4.323 0.020 . 1 . . . . 339 ARG HA . 17487 1 635 . 1 1 141 141 ARG C C 13 176.835 0.400 . 1 . . . . 339 ARG C . 17487 1 636 . 1 1 141 141 ARG CA C 13 56.838 0.400 . 1 . . . . 339 ARG CA . 17487 1 637 . 1 1 141 141 ARG CB C 13 30.560 0.400 . 1 . . . . 339 ARG CB . 17487 1 638 . 1 1 141 141 ARG N N 15 118.949 0.400 . 1 . . . . 339 ARG N . 17487 1 639 . 1 1 142 142 GLU H H 1 8.270 0.020 . 1 . . . . 340 GLU H . 17487 1 640 . 1 1 142 142 GLU HA H 1 4.677 0.020 . 1 . . . . 340 GLU HA . 17487 1 641 . 1 1 142 142 GLU C C 13 176.611 0.400 . 1 . . . . 340 GLU C . 17487 1 642 . 1 1 142 142 GLU CA C 13 56.643 0.400 . 1 . . . . 340 GLU CA . 17487 1 643 . 1 1 142 142 GLU CB C 13 30.246 0.400 . 1 . . . . 340 GLU CB . 17487 1 644 . 1 1 142 142 GLU N N 15 120.977 0.400 . 1 . . . . 340 GLU N . 17487 1 645 . 1 1 143 143 ARG H H 1 8.323 0.020 . 1 . . . . 341 ARG H . 17487 1 646 . 1 1 143 143 ARG HA H 1 4.441 0.020 . 1 . . . . 341 ARG HA . 17487 1 647 . 1 1 143 143 ARG C C 13 176.112 0.400 . 1 . . . . 341 ARG C . 17487 1 648 . 1 1 143 143 ARG CA C 13 56.199 0.400 . 1 . . . . 341 ARG CA . 17487 1 649 . 1 1 143 143 ARG CB C 13 30.791 0.400 . 1 . . . . 341 ARG CB . 17487 1 650 . 1 1 143 143 ARG N N 15 121.759 0.400 . 1 . . . . 341 ARG N . 17487 1 651 . 1 1 144 144 LYS H H 1 8.525 0.020 . 1 . . . . 342 LYS H . 17487 1 652 . 1 1 144 144 LYS C C 13 176.510 0.400 . 1 . . . . 342 LYS C . 17487 1 653 . 1 1 144 144 LYS CA C 13 56.400 0.400 . 1 . . . . 342 LYS CA . 17487 1 654 . 1 1 144 144 LYS CB C 13 33.062 0.400 . 1 . . . . 342 LYS CB . 17487 1 655 . 1 1 144 144 LYS N N 15 123.903 0.400 . 1 . . . . 342 LYS N . 17487 1 656 . 1 1 145 145 THR H H 1 8.362 0.020 . 1 . . . . 343 THR H . 17487 1 657 . 1 1 145 145 THR HA H 1 4.461 0.020 . 1 . . . . 343 THR HA . 17487 1 658 . 1 1 145 145 THR C C 13 174.258 0.400 . 1 . . . . 343 THR C . 17487 1 659 . 1 1 145 145 THR CA C 13 61.920 0.400 . 1 . . . . 343 THR CA . 17487 1 660 . 1 1 145 145 THR CB C 13 69.871 0.400 . 1 . . . . 343 THR CB . 17487 1 661 . 1 1 145 145 THR N N 15 117.130 0.400 . 1 . . . . 343 THR N . 17487 1 662 . 1 1 146 146 VAL H H 1 8.286 0.020 . 1 . . . . 344 VAL H . 17487 1 663 . 1 1 146 146 VAL HA H 1 4.218 0.020 . 1 . . . . 344 VAL HA . 17487 1 664 . 1 1 146 146 VAL C C 13 175.068 0.400 . 1 . . . . 344 VAL C . 17487 1 665 . 1 1 146 146 VAL CA C 13 62.442 0.400 . 1 . . . . 344 VAL CA . 17487 1 666 . 1 1 146 146 VAL CB C 13 32.830 0.400 . 1 . . . . 344 VAL CB . 17487 1 667 . 1 1 146 146 VAL N N 15 123.353 0.400 . 1 . . . . 344 VAL N . 17487 1 668 . 1 1 147 147 LYS H H 1 8.065 0.020 . 1 . . . . 345 LYS H . 17487 1 669 . 1 1 147 147 LYS HA H 1 4.228 0.020 . 1 . . . . 345 LYS HA . 17487 1 670 . 1 1 147 147 LYS C C 13 181.108 0.400 . 1 . . . . 345 LYS C . 17487 1 671 . 1 1 147 147 LYS CA C 13 57.936 0.400 . 1 . . . . 345 LYS CA . 17487 1 672 . 1 1 147 147 LYS CB C 13 33.658 0.400 . 1 . . . . 345 LYS CB . 17487 1 673 . 1 1 147 147 LYS N N 15 130.172 0.400 . 1 . . . . 345 LYS N . 17487 1 stop_ save_