data_30118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30118 _Entry.Title ; Solution Structure of a repacked version of HIF-2 alpha PAS-B (CASP target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-17 _Entry.Accession_date 2016-06-17 _Entry.Last_release_date 2016-08-11 _Entry.Original_release_date 2016-08-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Fernando Correa F. . . . 30118 2 Jason Key J. . . . 30118 3 Brian Kuhlman B. . . . 30118 4 Kevin Gardner K. H. . . 30118 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cavity . 30118 Repacking . 30118 Rosetta . 30118 TRANSCRIPTION . 30118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 30118 '15N chemical shifts' 122 30118 '1H chemical shifts' 817 30118 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-08-11 . original BMRB . 30118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KIZ 'BMRB Entry Tracking System' 30118 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30118 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Repacking of internal hydrated HIF-2 alpha cavity removes allosteric binding site ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fernando Correa F. . . . 30118 1 2 Jason Key J. . . . 30118 1 3 Brian Kuhlman B. . . . 30118 1 4 Kevin Gardner K. H. . . 30118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30118 _Assembly.ID 1 _Assembly.Name 'Endothelial PAS domain-containing protein 1' _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 entity_1 1 $entity_1 A A yes . . . . . . 30118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Endothelial PAS domain-containing protein 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEFLDSKTFLSRFSMDMKFT YCDDRITELIGYHPEELLGR SASEFWHALDSENMTKSHQN LCTKGQVVSGQYRMLAKHGG YVWLETQMTVIYNPRNLQPQ CIMAVNYVLSEIEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 239-349' _Entity.Mutation 'H248F, Y278S, Y281W, G323M, C339A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13264.091 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Basic-helix-loop-helix-PAS protein MOP2' na 30118 1 'Class E basic helix-loop-helix protein 73' na 30118 1 EPAS-1 na 30118 1 'HIF-1-alpha-like factor' na 30118 1 HIF2-alpha na 30118 1 HLF na 30118 1 'Hypoxia-inducible factor 2-alpha' na 30118 1 'Member of PAS protein 2' na 30118 1 'PAS domain-containing protein 2' na 30118 1 bHLHe73 na 30118 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 1 236 GLY . 30118 1 2 237 GLU . 30118 1 3 238 PHE . 30118 1 4 239 LEU . 30118 1 5 240 ASP . 30118 1 6 241 SER . 30118 1 7 242 LYS . 30118 1 8 243 THR . 30118 1 9 244 PHE . 30118 1 10 245 LEU . 30118 1 11 246 SER . 30118 1 12 247 ARG . 30118 1 13 248 PHE . 30118 1 14 249 SER . 30118 1 15 250 MET . 30118 1 16 251 ASP . 30118 1 17 252 MET . 30118 1 18 253 LYS . 30118 1 19 254 PHE . 30118 1 20 255 THR . 30118 1 21 256 TYR . 30118 1 22 257 CYS . 30118 1 23 258 ASP . 30118 1 24 259 ASP . 30118 1 25 260 ARG . 30118 1 26 261 ILE . 30118 1 27 262 THR . 30118 1 28 263 GLU . 30118 1 29 264 LEU . 30118 1 30 265 ILE . 30118 1 31 266 GLY . 30118 1 32 267 TYR . 30118 1 33 268 HIS . 30118 1 34 269 PRO . 30118 1 35 270 GLU . 30118 1 36 271 GLU . 30118 1 37 272 LEU . 30118 1 38 273 LEU . 30118 1 39 274 GLY . 30118 1 40 275 ARG . 30118 1 41 276 SER . 30118 1 42 277 ALA . 30118 1 43 278 SER . 30118 1 44 279 GLU . 30118 1 45 280 PHE . 30118 1 46 281 TRP . 30118 1 47 282 HIS . 30118 1 48 283 ALA . 30118 1 49 284 LEU . 30118 1 50 285 ASP . 30118 1 51 286 SER . 30118 1 52 287 GLU . 30118 1 53 288 ASN . 30118 1 54 289 MET . 30118 1 55 290 THR . 30118 1 56 291 LYS . 30118 1 57 292 SER . 30118 1 58 293 HIS . 30118 1 59 294 GLN . 30118 1 60 295 ASN . 30118 1 61 296 LEU . 30118 1 62 297 CYS . 30118 1 63 298 THR . 30118 1 64 299 LYS . 30118 1 65 300 GLY . 30118 1 66 301 GLN . 30118 1 67 302 VAL . 30118 1 68 303 VAL . 30118 1 69 304 SER . 30118 1 70 305 GLY . 30118 1 71 306 GLN . 30118 1 72 307 TYR . 30118 1 73 308 ARG . 30118 1 74 309 MET . 30118 1 75 310 LEU . 30118 1 76 311 ALA . 30118 1 77 312 LYS . 30118 1 78 313 HIS . 30118 1 79 314 GLY . 30118 1 80 315 GLY . 30118 1 81 316 TYR . 30118 1 82 317 VAL . 30118 1 83 318 TRP . 30118 1 84 319 LEU . 30118 1 85 320 GLU . 30118 1 86 321 THR . 30118 1 87 322 GLN . 30118 1 88 323 MET . 30118 1 89 324 THR . 30118 1 90 325 VAL . 30118 1 91 326 ILE . 30118 1 92 327 TYR . 30118 1 93 328 ASN . 30118 1 94 329 PRO . 30118 1 95 330 ARG . 30118 1 96 331 ASN . 30118 1 97 332 LEU . 30118 1 98 333 GLN . 30118 1 99 334 PRO . 30118 1 100 335 GLN . 30118 1 101 336 CYS . 30118 1 102 337 ILE . 30118 1 103 338 MET . 30118 1 104 339 ALA . 30118 1 105 340 VAL . 30118 1 106 341 ASN . 30118 1 107 342 TYR . 30118 1 108 343 VAL . 30118 1 109 344 LEU . 30118 1 110 345 SER . 30118 1 111 346 GLU . 30118 1 112 347 ILE . 30118 1 113 348 GLU . 30118 1 114 349 LYS . 30118 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 30118 1 . GLU 2 2 30118 1 . PHE 3 3 30118 1 . LEU 4 4 30118 1 . ASP 5 5 30118 1 . SER 6 6 30118 1 . LYS 7 7 30118 1 . THR 8 8 30118 1 . PHE 9 9 30118 1 . LEU 10 10 30118 1 . SER 11 11 30118 1 . ARG 12 12 30118 1 . PHE 13 13 30118 1 . SER 14 14 30118 1 . MET 15 15 30118 1 . ASP 16 16 30118 1 . MET 17 17 30118 1 . LYS 18 18 30118 1 . PHE 19 19 30118 1 . THR 20 20 30118 1 . TYR 21 21 30118 1 . CYS 22 22 30118 1 . ASP 23 23 30118 1 . ASP 24 24 30118 1 . ARG 25 25 30118 1 . ILE 26 26 30118 1 . THR 27 27 30118 1 . GLU 28 28 30118 1 . LEU 29 29 30118 1 . ILE 30 30 30118 1 . GLY 31 31 30118 1 . TYR 32 32 30118 1 . HIS 33 33 30118 1 . PRO 34 34 30118 1 . GLU 35 35 30118 1 . GLU 36 36 30118 1 . LEU 37 37 30118 1 . LEU 38 38 30118 1 . GLY 39 39 30118 1 . ARG 40 40 30118 1 . SER 41 41 30118 1 . ALA 42 42 30118 1 . SER 43 43 30118 1 . GLU 44 44 30118 1 . PHE 45 45 30118 1 . TRP 46 46 30118 1 . HIS 47 47 30118 1 . ALA 48 48 30118 1 . LEU 49 49 30118 1 . ASP 50 50 30118 1 . SER 51 51 30118 1 . GLU 52 52 30118 1 . ASN 53 53 30118 1 . MET 54 54 30118 1 . THR 55 55 30118 1 . LYS 56 56 30118 1 . SER 57 57 30118 1 . HIS 58 58 30118 1 . GLN 59 59 30118 1 . ASN 60 60 30118 1 . LEU 61 61 30118 1 . CYS 62 62 30118 1 . THR 63 63 30118 1 . LYS 64 64 30118 1 . GLY 65 65 30118 1 . GLN 66 66 30118 1 . VAL 67 67 30118 1 . VAL 68 68 30118 1 . SER 69 69 30118 1 . GLY 70 70 30118 1 . GLN 71 71 30118 1 . TYR 72 72 30118 1 . ARG 73 73 30118 1 . MET 74 74 30118 1 . LEU 75 75 30118 1 . ALA 76 76 30118 1 . LYS 77 77 30118 1 . HIS 78 78 30118 1 . GLY 79 79 30118 1 . GLY 80 80 30118 1 . TYR 81 81 30118 1 . VAL 82 82 30118 1 . TRP 83 83 30118 1 . LEU 84 84 30118 1 . GLU 85 85 30118 1 . THR 86 86 30118 1 . GLN 87 87 30118 1 . MET 88 88 30118 1 . THR 89 89 30118 1 . VAL 90 90 30118 1 . ILE 91 91 30118 1 . TYR 92 92 30118 1 . ASN 93 93 30118 1 . PRO 94 94 30118 1 . ARG 95 95 30118 1 . ASN 96 96 30118 1 . LEU 97 97 30118 1 . GLN 98 98 30118 1 . PRO 99 99 30118 1 . GLN 100 100 30118 1 . CYS 101 101 30118 1 . ILE 102 102 30118 1 . MET 103 103 30118 1 . ALA 104 104 30118 1 . VAL 105 105 30118 1 . ASN 106 106 30118 1 . TYR 107 107 30118 1 . VAL 108 108 30118 1 . LEU 109 109 30118 1 . SER 110 110 30118 1 . GLU 111 111 30118 1 . ILE 112 112 30118 1 . GLU 113 113 30118 1 . LYS 114 114 30118 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 30118 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'EPAS1, BHLHE73, HIF2A, MOP2, PASD2' . 30118 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 30118 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] HIF-2 alpha D1, 90% H2O/10% D2O' _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 'HIF-2 alpha D1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30118 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30118 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30118 1 4 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 30118 1 5 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 30118 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 30118 _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' 20 . mM 30118 1 pH 7.5 . pH 30118 1 pressure 1 . atm 30118 1 temperature 298 . K 30118 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30118 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30118 1 'structure calculation' 30118 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30118 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30118 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30118 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30118 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30118 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30118 3 'peak picking' 30118 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30118 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30118 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30118 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30118 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30118 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 30118 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 30118 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 30118 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30118 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30118 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30118 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30118 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30118 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30118 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30118 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30118 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30118 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 30118 1 2 '3D HNCACB' . . . 30118 1 3 '3D HNCO' . . . 30118 1 4 '3D HCCH-TOCSY' . . . 30118 1 5 '3D C(CO)NH' . . . 30118 1 6 '3D H(CCO)NH' . . . 30118 1 7 '2D 1H-15N HSQC' . . . 30118 1 8 '3D 1H-15N NOESY' . . . 30118 1 9 '3D 1H-13C NOESY' . . . 30118 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 30118 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 2 2 GLU HA H 1 4.2844 0.010 . 1 . . . A 237 GLU HA . 30118 1 2 . 1 1 2 2 GLU HB2 H 1 1.8238 0.010 . 2 . . . A 237 GLU HB2 . 30118 1 3 . 1 1 2 2 GLU HB3 H 1 1.9409 0.010 . 2 . . . A 237 GLU HB3 . 30118 1 4 . 1 1 2 2 GLU HG2 H 1 2.1066 0.010 . 2 . . . A 237 GLU HG2 . 30118 1 5 . 1 1 2 2 GLU HG3 H 1 2.1681 0.010 . 2 . . . A 237 GLU HG3 . 30118 1 6 . 1 1 2 2 GLU C C 13 175.9911 0.100 . 1 . . . A 237 GLU C . 30118 1 7 . 1 1 2 2 GLU CA C 13 56.4688 0.100 . 1 . . . A 237 GLU CA . 30118 1 8 . 1 1 2 2 GLU CB C 13 30.7949 0.100 . 1 . . . A 237 GLU CB . 30118 1 9 . 1 1 2 2 GLU CG C 13 36.1717 0.100 . 1 . . . A 237 GLU CG . 30118 1 10 . 1 1 3 3 PHE H H 1 8.4481 0.010 . 1 . . . A 238 PHE H . 30118 1 11 . 1 1 3 3 PHE HA H 1 4.5412 0.010 . 1 . . . A 238 PHE HA . 30118 1 12 . 1 1 3 3 PHE HB2 H 1 2.9371 0.010 . 2 . . . A 238 PHE HB2 . 30118 1 13 . 1 1 3 3 PHE HB3 H 1 3.0365 0.010 . 2 . . . A 238 PHE HB3 . 30118 1 14 . 1 1 3 3 PHE HD1 H 1 7.1297 0.010 . 3 . . . A 238 PHE HD1 . 30118 1 15 . 1 1 3 3 PHE HD2 H 1 7.1297 0.010 . 3 . . . A 238 PHE HD2 . 30118 1 16 . 1 1 3 3 PHE HE1 H 1 7.2375 0.010 . 3 . . . A 238 PHE HE1 . 30118 1 17 . 1 1 3 3 PHE HE2 H 1 7.2375 0.010 . 3 . . . A 238 PHE HE2 . 30118 1 18 . 1 1 3 3 PHE C C 13 175.7201 0.100 . 1 . . . A 238 PHE C . 30118 1 19 . 1 1 3 3 PHE CA C 13 57.7263 0.100 . 1 . . . A 238 PHE CA . 30118 1 20 . 1 1 3 3 PHE CB C 13 39.5399 0.100 . 1 . . . A 238 PHE CB . 30118 1 21 . 1 1 3 3 PHE CD1 C 13 131.4971 0.100 . 3 . . . A 238 PHE CD1 . 30118 1 22 . 1 1 3 3 PHE CD2 C 13 131.4971 0.100 . 3 . . . A 238 PHE CD2 . 30118 1 23 . 1 1 3 3 PHE CE1 C 13 131.2528 0.100 . 3 . . . A 238 PHE CE1 . 30118 1 24 . 1 1 3 3 PHE CE2 C 13 131.2528 0.100 . 3 . . . A 238 PHE CE2 . 30118 1 25 . 1 1 3 3 PHE N N 15 121.5558 0.040 . 1 . . . A 238 PHE N . 30118 1 26 . 1 1 4 4 LEU H H 1 8.2878 0.010 . 1 . . . A 239 LEU H . 30118 1 27 . 1 1 4 4 LEU HA H 1 4.3157 0.010 . 1 . . . A 239 LEU HA . 30118 1 28 . 1 1 4 4 LEU HB2 H 1 1.5541 0.010 . 2 . . . A 239 LEU HB2 . 30118 1 29 . 1 1 4 4 LEU HB3 H 1 1.6010 0.010 . 2 . . . A 239 LEU HB3 . 30118 1 30 . 1 1 4 4 LEU HG H 1 1.5387 0.010 . 1 . . . A 239 LEU HG . 30118 1 31 . 1 1 4 4 LEU HD11 H 1 0.8040 0.010 . 2 . . . A 239 LEU HD11 . 30118 1 32 . 1 1 4 4 LEU HD12 H 1 0.8040 0.010 . 2 . . . A 239 LEU HD12 . 30118 1 33 . 1 1 4 4 LEU HD13 H 1 0.8040 0.010 . 2 . . . A 239 LEU HD13 . 30118 1 34 . 1 1 4 4 LEU HD21 H 1 0.8427 0.010 . 2 . . . A 239 LEU HD21 . 30118 1 35 . 1 1 4 4 LEU HD22 H 1 0.8427 0.010 . 2 . . . A 239 LEU HD22 . 30118 1 36 . 1 1 4 4 LEU HD23 H 1 0.8427 0.010 . 2 . . . A 239 LEU HD23 . 30118 1 37 . 1 1 4 4 LEU C C 13 177.3881 0.100 . 1 . . . A 239 LEU C . 30118 1 38 . 1 1 4 4 LEU CA C 13 55.2194 0.100 . 1 . . . A 239 LEU CA . 30118 1 39 . 1 1 4 4 LEU CB C 13 42.4634 0.100 . 1 . . . A 239 LEU CB . 30118 1 40 . 1 1 4 4 LEU CG C 13 27.0825 0.100 . 1 . . . A 239 LEU CG . 30118 1 41 . 1 1 4 4 LEU CD1 C 13 23.6825 0.100 . 2 . . . A 239 LEU CD1 . 30118 1 42 . 1 1 4 4 LEU CD2 C 13 25.1566 0.100 . 2 . . . A 239 LEU CD2 . 30118 1 43 . 1 1 4 4 LEU N N 15 123.4811 0.040 . 1 . . . A 239 LEU N . 30118 1 44 . 1 1 5 5 ASP H H 1 8.3583 0.010 . 1 . . . A 240 ASP H . 30118 1 45 . 1 1 5 5 ASP HA H 1 4.5202 0.010 . 1 . . . A 240 ASP HA . 30118 1 46 . 1 1 5 5 ASP HB2 H 1 2.7265 0.010 . 2 . . . A 240 ASP HB2 . 30118 1 47 . 1 1 5 5 ASP HB3 H 1 2.7265 0.010 . 2 . . . A 240 ASP HB3 . 30118 1 48 . 1 1 5 5 ASP C C 13 176.8678 0.100 . 1 . . . A 240 ASP C . 30118 1 49 . 1 1 5 5 ASP CA C 13 55.3672 0.100 . 1 . . . A 240 ASP CA . 30118 1 50 . 1 1 5 5 ASP CB C 13 41.2264 0.100 . 1 . . . A 240 ASP CB . 30118 1 51 . 1 1 5 5 ASP N N 15 122.1644 0.040 . 1 . . . A 240 ASP N . 30118 1 52 . 1 1 6 6 SER H H 1 8.1499 0.010 . 1 . . . A 241 SER H . 30118 1 53 . 1 1 6 6 SER HA H 1 4.4163 0.010 . 1 . . . A 241 SER HA . 30118 1 54 . 1 1 6 6 SER HB2 H 1 3.9522 0.010 . 2 . . . A 241 SER HB2 . 30118 1 55 . 1 1 6 6 SER HB3 H 1 4.0076 0.010 . 2 . . . A 241 SER HB3 . 30118 1 56 . 1 1 6 6 SER C C 13 174.6869 0.100 . 1 . . . A 241 SER C . 30118 1 57 . 1 1 6 6 SER CA C 13 59.4764 0.100 . 1 . . . A 241 SER CA . 30118 1 58 . 1 1 6 6 SER CB C 13 63.5301 0.100 . 1 . . . A 241 SER CB . 30118 1 59 . 1 1 6 6 SER N N 15 114.2641 0.040 . 1 . . . A 241 SER N . 30118 1 60 . 1 1 7 7 LYS H H 1 8.2360 0.010 . 1 . . . A 242 LYS H . 30118 1 61 . 1 1 7 7 LYS HA H 1 4.5716 0.010 . 1 . . . A 242 LYS HA . 30118 1 62 . 1 1 7 7 LYS HB2 H 1 1.8979 0.010 . 2 . . . A 242 LYS HB2 . 30118 1 63 . 1 1 7 7 LYS HB3 H 1 2.2432 0.010 . 2 . . . A 242 LYS HB3 . 30118 1 64 . 1 1 7 7 LYS HG2 H 1 1.3392 0.010 . 2 . . . A 242 LYS HG2 . 30118 1 65 . 1 1 7 7 LYS HG3 H 1 1.5290 0.010 . 2 . . . A 242 LYS HG3 . 30118 1 66 . 1 1 7 7 LYS HD2 H 1 1.5841 0.010 . 2 . . . A 242 LYS HD2 . 30118 1 67 . 1 1 7 7 LYS HD3 H 1 1.6843 0.010 . 2 . . . A 242 LYS HD3 . 30118 1 68 . 1 1 7 7 LYS HE2 H 1 2.9315 0.010 . 2 . . . A 242 LYS HE2 . 30118 1 69 . 1 1 7 7 LYS HE3 H 1 2.9315 0.010 . 2 . . . A 242 LYS HE3 . 30118 1 70 . 1 1 7 7 LYS C C 13 174.3945 0.100 . 1 . . . A 242 LYS C . 30118 1 71 . 1 1 7 7 LYS CA C 13 55.5514 0.100 . 1 . . . A 242 LYS CA . 30118 1 72 . 1 1 7 7 LYS CB C 13 32.5656 0.100 . 1 . . . A 242 LYS CB . 30118 1 73 . 1 1 7 7 LYS CG C 13 25.0479 0.100 . 1 . . . A 242 LYS CG . 30118 1 74 . 1 1 7 7 LYS CD C 13 29.2206 0.100 . 1 . . . A 242 LYS CD . 30118 1 75 . 1 1 7 7 LYS CE C 13 42.3692 0.100 . 1 . . . A 242 LYS CE . 30118 1 76 . 1 1 7 7 LYS N N 15 121.7993 0.040 . 1 . . . A 242 LYS N . 30118 1 77 . 1 1 8 8 THR H H 1 7.5035 0.010 . 1 . . . A 243 THR H . 30118 1 78 . 1 1 8 8 THR HA H 1 5.5756 0.010 . 1 . . . A 243 THR HA . 30118 1 79 . 1 1 8 8 THR HB H 1 3.7570 0.010 . 1 . . . A 243 THR HB . 30118 1 80 . 1 1 8 8 THR HG21 H 1 0.8084 0.010 . 1 . . . A 243 THR HG21 . 30118 1 81 . 1 1 8 8 THR HG22 H 1 0.8084 0.010 . 1 . . . A 243 THR HG22 . 30118 1 82 . 1 1 8 8 THR HG23 H 1 0.8084 0.010 . 1 . . . A 243 THR HG23 . 30118 1 83 . 1 1 8 8 THR C C 13 173.7547 0.100 . 1 . . . A 243 THR C . 30118 1 84 . 1 1 8 8 THR CA C 13 60.0468 0.100 . 1 . . . A 243 THR CA . 30118 1 85 . 1 1 8 8 THR CB C 13 72.1334 0.100 . 1 . . . A 243 THR CB . 30118 1 86 . 1 1 8 8 THR CG2 C 13 21.7337 0.100 . 1 . . . A 243 THR CG2 . 30118 1 87 . 1 1 8 8 THR N N 15 113.6230 0.040 . 1 . . . A 243 THR N . 30118 1 88 . 1 1 9 9 PHE H H 1 8.5268 0.010 . 1 . . . A 244 PHE H . 30118 1 89 . 1 1 9 9 PHE HA H 1 5.1339 0.010 . 1 . . . A 244 PHE HA . 30118 1 90 . 1 1 9 9 PHE HB2 H 1 2.8312 0.010 . 2 . . . A 244 PHE HB2 . 30118 1 91 . 1 1 9 9 PHE HB3 H 1 3.1777 0.010 . 2 . . . A 244 PHE HB3 . 30118 1 92 . 1 1 9 9 PHE HD1 H 1 6.9305 0.010 . 3 . . . A 244 PHE HD1 . 30118 1 93 . 1 1 9 9 PHE HD2 H 1 6.9305 0.010 . 3 . . . A 244 PHE HD2 . 30118 1 94 . 1 1 9 9 PHE HE1 H 1 7.0050 0.010 . 3 . . . A 244 PHE HE1 . 30118 1 95 . 1 1 9 9 PHE HE2 H 1 7.0040 0.010 . 3 . . . A 244 PHE HE2 . 30118 1 96 . 1 1 9 9 PHE HZ H 1 6.9779 0.010 . 1 . . . A 244 PHE HZ . 30118 1 97 . 1 1 9 9 PHE C C 13 173.7297 0.100 . 1 . . . A 244 PHE C . 30118 1 98 . 1 1 9 9 PHE CA C 13 56.4535 0.100 . 1 . . . A 244 PHE CA . 30118 1 99 . 1 1 9 9 PHE CB C 13 42.1141 0.100 . 1 . . . A 244 PHE CB . 30118 1 100 . 1 1 9 9 PHE CD1 C 13 131.7972 0.100 . 3 . . . A 244 PHE CD1 . 30118 1 101 . 1 1 9 9 PHE CD2 C 13 131.4971 0.100 . 3 . . . A 244 PHE CD2 . 30118 1 102 . 1 1 9 9 PHE CE1 C 13 131.9966 0.100 . 3 . . . A 244 PHE CE1 . 30118 1 103 . 1 1 9 9 PHE CE2 C 13 131.9966 0.100 . 3 . . . A 244 PHE CE2 . 30118 1 104 . 1 1 9 9 PHE CZ C 13 128.7893 0.100 . 1 . . . A 244 PHE CZ . 30118 1 105 . 1 1 9 9 PHE N N 15 115.4684 0.040 . 1 . . . A 244 PHE N . 30118 1 106 . 1 1 10 10 LEU H H 1 9.6817 0.010 . 1 . . . A 245 LEU H . 30118 1 107 . 1 1 10 10 LEU HA H 1 5.1654 0.010 . 1 . . . A 245 LEU HA . 30118 1 108 . 1 1 10 10 LEU HB2 H 1 1.7868 0.010 . 2 . . . A 245 LEU HB2 . 30118 1 109 . 1 1 10 10 LEU HB3 H 1 1.9817 0.010 . 2 . . . A 245 LEU HB3 . 30118 1 110 . 1 1 10 10 LEU HG H 1 1.7850 0.010 . 1 . . . A 245 LEU HG . 30118 1 111 . 1 1 10 10 LEU HD11 H 1 0.8794 0.010 . 2 . . . A 245 LEU HD11 . 30118 1 112 . 1 1 10 10 LEU HD12 H 1 0.8794 0.010 . 2 . . . A 245 LEU HD12 . 30118 1 113 . 1 1 10 10 LEU HD13 H 1 0.8794 0.010 . 2 . . . A 245 LEU HD13 . 30118 1 114 . 1 1 10 10 LEU HD21 H 1 0.9304 0.010 . 2 . . . A 245 LEU HD21 . 30118 1 115 . 1 1 10 10 LEU HD22 H 1 0.9304 0.010 . 2 . . . A 245 LEU HD22 . 30118 1 116 . 1 1 10 10 LEU HD23 H 1 0.9304 0.010 . 2 . . . A 245 LEU HD23 . 30118 1 117 . 1 1 10 10 LEU C C 13 175.8670 0.100 . 1 . . . A 245 LEU C . 30118 1 118 . 1 1 10 10 LEU CA C 13 54.2898 0.100 . 1 . . . A 245 LEU CA . 30118 1 119 . 1 1 10 10 LEU CB C 13 44.0808 0.100 . 1 . . . A 245 LEU CB . 30118 1 120 . 1 1 10 10 LEU CG C 13 28.0320 0.100 . 1 . . . A 245 LEU CG . 30118 1 121 . 1 1 10 10 LEU CD1 C 13 24.8467 0.100 . 2 . . . A 245 LEU CD1 . 30118 1 122 . 1 1 10 10 LEU CD2 C 13 25.1590 0.100 . 2 . . . A 245 LEU CD2 . 30118 1 123 . 1 1 10 10 LEU N N 15 127.8703 0.040 . 1 . . . A 245 LEU N . 30118 1 124 . 1 1 11 11 SER H H 1 9.0503 0.010 . 1 . . . A 246 SER H . 30118 1 125 . 1 1 11 11 SER HA H 1 5.0312 0.010 . 1 . . . A 246 SER HA . 30118 1 126 . 1 1 11 11 SER HB2 H 1 4.2347 0.010 . 2 . . . A 246 SER HB2 . 30118 1 127 . 1 1 11 11 SER HB3 H 1 4.0143 0.010 . 2 . . . A 246 SER HB3 . 30118 1 128 . 1 1 11 11 SER C C 13 171.6642 0.100 . 1 . . . A 246 SER C . 30118 1 129 . 1 1 11 11 SER CA C 13 56.6250 0.100 . 1 . . . A 246 SER CA . 30118 1 130 . 1 1 11 11 SER CB C 13 66.8731 0.100 . 1 . . . A 246 SER CB . 30118 1 131 . 1 1 11 11 SER N N 15 113.1398 0.040 . 1 . . . A 246 SER N . 30118 1 132 . 1 1 12 12 ARG H H 1 8.6736 0.010 . 1 . . . A 247 ARG H . 30118 1 133 . 1 1 12 12 ARG HA H 1 5.3796 0.010 . 1 . . . A 247 ARG HA . 30118 1 134 . 1 1 12 12 ARG HB2 H 1 1.7107 0.010 . 2 . . . A 247 ARG HB2 . 30118 1 135 . 1 1 12 12 ARG HB3 H 1 1.8489 0.010 . 2 . . . A 247 ARG HB3 . 30118 1 136 . 1 1 12 12 ARG HG2 H 1 1.6710 0.010 . 2 . . . A 247 ARG HG2 . 30118 1 137 . 1 1 12 12 ARG HG3 H 1 1.6710 0.010 . 2 . . . A 247 ARG HG3 . 30118 1 138 . 1 1 12 12 ARG HD2 H 1 3.0904 0.010 . 2 . . . A 247 ARG HD2 . 30118 1 139 . 1 1 12 12 ARG HD3 H 1 3.0904 0.010 . 2 . . . A 247 ARG HD3 . 30118 1 140 . 1 1 12 12 ARG C C 13 174.0512 0.100 . 1 . . . A 247 ARG C . 30118 1 141 . 1 1 12 12 ARG CA C 13 54.8657 0.100 . 1 . . . A 247 ARG CA . 30118 1 142 . 1 1 12 12 ARG CB C 13 36.1347 0.100 . 1 . . . A 247 ARG CB . 30118 1 143 . 1 1 12 12 ARG CG C 13 28.3330 0.100 . 1 . . . A 247 ARG CG . 30118 1 144 . 1 1 12 12 ARG CD C 13 44.2257 0.100 . 1 . . . A 247 ARG CD . 30118 1 145 . 1 1 12 12 ARG N N 15 118.6135 0.040 . 1 . . . A 247 ARG N . 30118 1 146 . 1 1 13 13 PHE H H 1 9.2387 0.010 . 1 . . . A 248 PHE H . 30118 1 147 . 1 1 13 13 PHE HA H 1 5.6560 0.010 . 1 . . . A 248 PHE HA . 30118 1 148 . 1 1 13 13 PHE HB2 H 1 2.7002 0.010 . 2 . . . A 248 PHE HB2 . 30118 1 149 . 1 1 13 13 PHE HB3 H 1 3.2687 0.010 . 2 . . . A 248 PHE HB3 . 30118 1 150 . 1 1 13 13 PHE HD1 H 1 6.4377 0.010 . 3 . . . A 248 PHE HD1 . 30118 1 151 . 1 1 13 13 PHE HD2 H 1 6.4377 0.010 . 3 . . . A 248 PHE HD2 . 30118 1 152 . 1 1 13 13 PHE HE1 H 1 6.0591 0.010 . 3 . . . A 248 PHE HE1 . 30118 1 153 . 1 1 13 13 PHE HE2 H 1 6.0591 0.010 . 3 . . . A 248 PHE HE2 . 30118 1 154 . 1 1 13 13 PHE HZ H 1 6.8591 0.010 . 1 . . . A 248 PHE HZ . 30118 1 155 . 1 1 13 13 PHE C C 13 177.0322 0.100 . 1 . . . A 248 PHE C . 30118 1 156 . 1 1 13 13 PHE CA C 13 55.8527 0.100 . 1 . . . A 248 PHE CA . 30118 1 157 . 1 1 13 13 PHE CB C 13 45.1139 0.100 . 1 . . . A 248 PHE CB . 30118 1 158 . 1 1 13 13 PHE CD1 C 13 130.2278 0.100 . 3 . . . A 248 PHE CD1 . 30118 1 159 . 1 1 13 13 PHE CD2 C 13 130.2278 0.100 . 3 . . . A 248 PHE CD2 . 30118 1 160 . 1 1 13 13 PHE CE1 C 13 130.2396 0.100 . 3 . . . A 248 PHE CE1 . 30118 1 161 . 1 1 13 13 PHE CE2 C 13 130.2396 0.100 . 3 . . . A 248 PHE CE2 . 30118 1 162 . 1 1 13 13 PHE CZ C 13 128.9369 0.100 . 1 . . . A 248 PHE CZ . 30118 1 163 . 1 1 13 13 PHE N N 15 120.0786 0.040 . 1 . . . A 248 PHE N . 30118 1 164 . 1 1 14 14 SER H H 1 9.1389 0.010 . 1 . . . A 249 SER H . 30118 1 165 . 1 1 14 14 SER HA H 1 4.8023 0.010 . 1 . . . A 249 SER HA . 30118 1 166 . 1 1 14 14 SER HB2 H 1 3.9629 0.010 . 2 . . . A 249 SER HB2 . 30118 1 167 . 1 1 14 14 SER HB3 H 1 4.4334 0.010 . 2 . . . A 249 SER HB3 . 30118 1 168 . 1 1 14 14 SER C C 13 176.4022 0.100 . 1 . . . A 249 SER C . 30118 1 169 . 1 1 14 14 SER CA C 13 57.3665 0.100 . 1 . . . A 249 SER CA . 30118 1 170 . 1 1 14 14 SER CB C 13 64.5450 0.100 . 1 . . . A 249 SER CB . 30118 1 171 . 1 1 14 14 SER N N 15 115.0317 0.040 . 1 . . . A 249 SER N . 30118 1 172 . 1 1 15 15 MET H H 1 8.8535 0.010 . 1 . . . A 250 MET H . 30118 1 173 . 1 1 15 15 MET HA H 1 4.6147 0.010 . 1 . . . A 250 MET HA . 30118 1 174 . 1 1 15 15 MET HB2 H 1 2.0095 0.010 . 2 . . . A 250 MET HB2 . 30118 1 175 . 1 1 15 15 MET HB3 H 1 2.1225 0.010 . 2 . . . A 250 MET HB3 . 30118 1 176 . 1 1 15 15 MET HG2 H 1 2.2281 0.010 . 2 . . . A 250 MET HG2 . 30118 1 177 . 1 1 15 15 MET HG3 H 1 2.6362 0.010 . 2 . . . A 250 MET HG3 . 30118 1 178 . 1 1 15 15 MET HE1 H 1 1.8486 0.010 . 1 . . . A 250 MET HE1 . 30118 1 179 . 1 1 15 15 MET HE2 H 1 1.8486 0.010 . 1 . . . A 250 MET HE2 . 30118 1 180 . 1 1 15 15 MET HE3 H 1 1.8486 0.010 . 1 . . . A 250 MET HE3 . 30118 1 181 . 1 1 15 15 MET C C 13 177.5333 0.100 . 1 . . . A 250 MET C . 30118 1 182 . 1 1 15 15 MET CA C 13 55.8409 0.100 . 1 . . . A 250 MET CA . 30118 1 183 . 1 1 15 15 MET CB C 13 28.0497 0.100 . 1 . . . A 250 MET CB . 30118 1 184 . 1 1 15 15 MET CG C 13 30.7615 0.100 . 1 . . . A 250 MET CG . 30118 1 185 . 1 1 15 15 MET CE C 13 14.5893 0.100 . 1 . . . A 250 MET CE . 30118 1 186 . 1 1 15 15 MET N N 15 115.8300 0.040 . 1 . . . A 250 MET N . 30118 1 187 . 1 1 16 16 ASP H H 1 8.1759 0.010 . 1 . . . A 251 ASP H . 30118 1 188 . 1 1 16 16 ASP HA H 1 4.6348 0.010 . 1 . . . A 251 ASP HA . 30118 1 189 . 1 1 16 16 ASP HB2 H 1 2.5859 0.010 . 2 . . . A 251 ASP HB2 . 30118 1 190 . 1 1 16 16 ASP HB3 H 1 2.8354 0.010 . 2 . . . A 251 ASP HB3 . 30118 1 191 . 1 1 16 16 ASP C C 13 174.7339 0.100 . 1 . . . A 251 ASP C . 30118 1 192 . 1 1 16 16 ASP CA C 13 52.9724 0.100 . 1 . . . A 251 ASP CA . 30118 1 193 . 1 1 16 16 ASP CB C 13 39.0544 0.100 . 1 . . . A 251 ASP CB . 30118 1 194 . 1 1 16 16 ASP N N 15 115.1061 0.040 . 1 . . . A 251 ASP N . 30118 1 195 . 1 1 17 17 MET H H 1 8.3880 0.010 . 1 . . . A 252 MET H . 30118 1 196 . 1 1 17 17 MET HA H 1 3.8172 0.010 . 1 . . . A 252 MET HA . 30118 1 197 . 1 1 17 17 MET HB2 H 1 1.9522 0.010 . 2 . . . A 252 MET HB2 . 30118 1 198 . 1 1 17 17 MET HB3 H 1 1.9522 0.010 . 2 . . . A 252 MET HB3 . 30118 1 199 . 1 1 17 17 MET HG2 H 1 2.3311 0.010 . 2 . . . A 252 MET HG2 . 30118 1 200 . 1 1 17 17 MET HG3 H 1 2.3311 0.010 . 2 . . . A 252 MET HG3 . 30118 1 201 . 1 1 17 17 MET HE1 H 1 1.0777 0.010 . 1 . . . A 252 MET HE1 . 30118 1 202 . 1 1 17 17 MET HE2 H 1 1.0777 0.010 . 1 . . . A 252 MET HE2 . 30118 1 203 . 1 1 17 17 MET HE3 H 1 1.0777 0.010 . 1 . . . A 252 MET HE3 . 30118 1 204 . 1 1 17 17 MET C C 13 174.4241 0.100 . 1 . . . A 252 MET C . 30118 1 205 . 1 1 17 17 MET CA C 13 55.3612 0.100 . 1 . . . A 252 MET CA . 30118 1 206 . 1 1 17 17 MET CB C 13 28.0074 0.100 . 1 . . . A 252 MET CB . 30118 1 207 . 1 1 17 17 MET CG C 13 33.5333 0.100 . 1 . . . A 252 MET CG . 30118 1 208 . 1 1 17 17 MET CE C 13 15.4806 0.100 . 1 . . . A 252 MET CE . 30118 1 209 . 1 1 17 17 MET N N 15 114.6161 0.040 . 1 . . . A 252 MET N . 30118 1 210 . 1 1 18 18 LYS H H 1 7.4387 0.010 . 1 . . . A 253 LYS H . 30118 1 211 . 1 1 18 18 LYS HA H 1 5.1809 0.010 . 1 . . . A 253 LYS HA . 30118 1 212 . 1 1 18 18 LYS HB2 H 1 1.2418 0.010 . 2 . . . A 253 LYS HB2 . 30118 1 213 . 1 1 18 18 LYS HB3 H 1 1.7600 0.010 . 2 . . . A 253 LYS HB3 . 30118 1 214 . 1 1 18 18 LYS HG2 H 1 0.9680 0.010 . 2 . . . A 253 LYS HG2 . 30118 1 215 . 1 1 18 18 LYS HG3 H 1 1.1861 0.010 . 2 . . . A 253 LYS HG3 . 30118 1 216 . 1 1 18 18 LYS HD2 H 1 1.5215 0.010 . 2 . . . A 253 LYS HD2 . 30118 1 217 . 1 1 18 18 LYS HD3 H 1 1.5215 0.010 . 2 . . . A 253 LYS HD3 . 30118 1 218 . 1 1 18 18 LYS HE2 H 1 2.8661 0.010 . 2 . . . A 253 LYS HE2 . 30118 1 219 . 1 1 18 18 LYS HE3 H 1 2.8661 0.010 . 2 . . . A 253 LYS HE3 . 30118 1 220 . 1 1 18 18 LYS C C 13 177.8528 0.100 . 1 . . . A 253 LYS C . 30118 1 221 . 1 1 18 18 LYS CA C 13 54.5987 0.100 . 1 . . . A 253 LYS CA . 30118 1 222 . 1 1 18 18 LYS CB C 13 33.8846 0.100 . 1 . . . A 253 LYS CB . 30118 1 223 . 1 1 18 18 LYS CG C 13 25.6024 0.100 . 1 . . . A 253 LYS CG . 30118 1 224 . 1 1 18 18 LYS CD C 13 29.2753 0.100 . 1 . . . A 253 LYS CD . 30118 1 225 . 1 1 18 18 LYS CE C 13 42.4683 0.100 . 1 . . . A 253 LYS CE . 30118 1 226 . 1 1 18 18 LYS N N 15 116.2564 0.040 . 1 . . . A 253 LYS N . 30118 1 227 . 1 1 19 19 PHE H H 1 8.7732 0.010 . 1 . . . A 254 PHE H . 30118 1 228 . 1 1 19 19 PHE HA H 1 4.3329 0.010 . 1 . . . A 254 PHE HA . 30118 1 229 . 1 1 19 19 PHE HB2 H 1 2.3891 0.010 . 2 . . . A 254 PHE HB2 . 30118 1 230 . 1 1 19 19 PHE HB3 H 1 3.4485 0.010 . 2 . . . A 254 PHE HB3 . 30118 1 231 . 1 1 19 19 PHE HD1 H 1 7.1401 0.010 . 3 . . . A 254 PHE HD1 . 30118 1 232 . 1 1 19 19 PHE HD2 H 1 7.1367 0.010 . 3 . . . A 254 PHE HD2 . 30118 1 233 . 1 1 19 19 PHE HE1 H 1 7.0790 0.010 . 3 . . . A 254 PHE HE1 . 30118 1 234 . 1 1 19 19 PHE HE2 H 1 7.0602 0.010 . 3 . . . A 254 PHE HE2 . 30118 1 235 . 1 1 19 19 PHE HZ H 1 7.1734 0.010 . 1 . . . A 254 PHE HZ . 30118 1 236 . 1 1 19 19 PHE C C 13 178.8952 0.100 . 1 . . . A 254 PHE C . 30118 1 237 . 1 1 19 19 PHE CA C 13 60.6539 0.100 . 1 . . . A 254 PHE CA . 30118 1 238 . 1 1 19 19 PHE CB C 13 40.4311 0.100 . 1 . . . A 254 PHE CB . 30118 1 239 . 1 1 19 19 PHE CD1 C 13 132.5428 0.100 . 3 . . . A 254 PHE CD1 . 30118 1 240 . 1 1 19 19 PHE CD2 C 13 132.5518 0.100 . 3 . . . A 254 PHE CD2 . 30118 1 241 . 1 1 19 19 PHE CE1 C 13 130.8688 0.100 . 3 . . . A 254 PHE CE1 . 30118 1 242 . 1 1 19 19 PHE CE2 C 13 130.8688 0.100 . 3 . . . A 254 PHE CE2 . 30118 1 243 . 1 1 19 19 PHE CZ C 13 129.1920 0.100 . 1 . . . A 254 PHE CZ . 30118 1 244 . 1 1 19 19 PHE N N 15 120.2698 0.040 . 1 . . . A 254 PHE N . 30118 1 245 . 1 1 20 20 THR H H 1 9.5187 0.010 . 1 . . . A 255 THR H . 30118 1 246 . 1 1 20 20 THR HA H 1 4.5744 0.010 . 1 . . . A 255 THR HA . 30118 1 247 . 1 1 20 20 THR HB H 1 4.4148 0.010 . 1 . . . A 255 THR HB . 30118 1 248 . 1 1 20 20 THR HG21 H 1 1.2825 0.010 . 1 . . . A 255 THR HG21 . 30118 1 249 . 1 1 20 20 THR HG22 H 1 1.2825 0.010 . 1 . . . A 255 THR HG22 . 30118 1 250 . 1 1 20 20 THR HG23 H 1 1.2825 0.010 . 1 . . . A 255 THR HG23 . 30118 1 251 . 1 1 20 20 THR C C 13 175.3045 0.100 . 1 . . . A 255 THR C . 30118 1 252 . 1 1 20 20 THR CA C 13 61.3910 0.100 . 1 . . . A 255 THR CA . 30118 1 253 . 1 1 20 20 THR CB C 13 70.0705 0.100 . 1 . . . A 255 THR CB . 30118 1 254 . 1 1 20 20 THR CG2 C 13 22.4966 0.100 . 1 . . . A 255 THR CG2 . 30118 1 255 . 1 1 20 20 THR N N 15 113.3755 0.040 . 1 . . . A 255 THR N . 30118 1 256 . 1 1 21 21 TYR H H 1 7.7844 0.010 . 1 . . . A 256 TYR H . 30118 1 257 . 1 1 21 21 TYR HA H 1 4.5026 0.010 . 1 . . . A 256 TYR HA . 30118 1 258 . 1 1 21 21 TYR HB2 H 1 2.3624 0.010 . 2 . . . A 256 TYR HB2 . 30118 1 259 . 1 1 21 21 TYR HB3 H 1 3.5063 0.010 . 2 . . . A 256 TYR HB3 . 30118 1 260 . 1 1 21 21 TYR HD1 H 1 6.8369 0.010 . 3 . . . A 256 TYR HD1 . 30118 1 261 . 1 1 21 21 TYR HD2 H 1 6.8369 0.010 . 3 . . . A 256 TYR HD2 . 30118 1 262 . 1 1 21 21 TYR HE1 H 1 6.7034 0.010 . 3 . . . A 256 TYR HE1 . 30118 1 263 . 1 1 21 21 TYR HE2 H 1 6.7036 0.010 . 3 . . . A 256 TYR HE2 . 30118 1 264 . 1 1 21 21 TYR C C 13 173.8719 0.100 . 1 . . . A 256 TYR C . 30118 1 265 . 1 1 21 21 TYR CA C 13 59.0195 0.100 . 1 . . . A 256 TYR CA . 30118 1 266 . 1 1 21 21 TYR CB C 13 41.6451 0.100 . 1 . . . A 256 TYR CB . 30118 1 267 . 1 1 21 21 TYR CD1 C 13 132.0315 0.100 . 3 . . . A 256 TYR CD1 . 30118 1 268 . 1 1 21 21 TYR CD2 C 13 132.0315 0.100 . 3 . . . A 256 TYR CD2 . 30118 1 269 . 1 1 21 21 TYR CE1 C 13 118.4041 0.100 . 3 . . . A 256 TYR CE1 . 30118 1 270 . 1 1 21 21 TYR CE2 C 13 118.4041 0.100 . 3 . . . A 256 TYR CE2 . 30118 1 271 . 1 1 21 21 TYR N N 15 122.5294 0.040 . 1 . . . A 256 TYR N . 30118 1 272 . 1 1 22 22 CYS H H 1 7.4974 0.010 . 1 . . . A 257 CYS H . 30118 1 273 . 1 1 22 22 CYS HA H 1 4.4016 0.010 . 1 . . . A 257 CYS HA . 30118 1 274 . 1 1 22 22 CYS HB2 H 1 2.2222 0.010 . 2 . . . A 257 CYS HB2 . 30118 1 275 . 1 1 22 22 CYS HB3 H 1 2.3688 0.010 . 2 . . . A 257 CYS HB3 . 30118 1 276 . 1 1 22 22 CYS C C 13 170.9543 0.100 . 1 . . . A 257 CYS C . 30118 1 277 . 1 1 22 22 CYS CA C 13 59.1161 0.100 . 1 . . . A 257 CYS CA . 30118 1 278 . 1 1 22 22 CYS CB C 13 29.9893 0.100 . 1 . . . A 257 CYS CB . 30118 1 279 . 1 1 22 22 CYS N N 15 125.8021 0.040 . 1 . . . A 257 CYS N . 30118 1 280 . 1 1 23 23 ASP H H 1 8.0607 0.010 . 1 . . . A 258 ASP H . 30118 1 281 . 1 1 23 23 ASP HA H 1 4.4910 0.010 . 1 . . . A 258 ASP HA . 30118 1 282 . 1 1 23 23 ASP HB2 H 1 3.0338 0.010 . 2 . . . A 258 ASP HB2 . 30118 1 283 . 1 1 23 23 ASP HB3 H 1 3.3251 0.010 . 2 . . . A 258 ASP HB3 . 30118 1 284 . 1 1 23 23 ASP C C 13 175.7099 0.100 . 1 . . . A 258 ASP C . 30118 1 285 . 1 1 23 23 ASP CA C 13 54.2748 0.100 . 1 . . . A 258 ASP CA . 30118 1 286 . 1 1 23 23 ASP CB C 13 43.2217 0.100 . 1 . . . A 258 ASP CB . 30118 1 287 . 1 1 23 23 ASP N N 15 126.4059 0.040 . 1 . . . A 258 ASP N . 30118 1 288 . 1 1 24 24 ASP H H 1 8.4441 0.010 . 1 . . . A 259 ASP H . 30118 1 289 . 1 1 24 24 ASP HA H 1 4.1659 0.010 . 1 . . . A 259 ASP HA . 30118 1 290 . 1 1 24 24 ASP HB2 H 1 2.7515 0.010 . 2 . . . A 259 ASP HB2 . 30118 1 291 . 1 1 24 24 ASP HB3 H 1 2.7515 0.010 . 2 . . . A 259 ASP HB3 . 30118 1 292 . 1 1 24 24 ASP C C 13 178.2775 0.100 . 1 . . . A 259 ASP C . 30118 1 293 . 1 1 24 24 ASP CA C 13 56.9124 0.100 . 1 . . . A 259 ASP CA . 30118 1 294 . 1 1 24 24 ASP CB C 13 40.7968 0.100 . 1 . . . A 259 ASP CB . 30118 1 295 . 1 1 24 24 ASP N N 15 119.5491 0.040 . 1 . . . A 259 ASP N . 30118 1 296 . 1 1 25 25 ARG H H 1 8.6612 0.010 . 1 . . . A 260 ARG H . 30118 1 297 . 1 1 25 25 ARG HA H 1 4.1281 0.010 . 1 . . . A 260 ARG HA . 30118 1 298 . 1 1 25 25 ARG HB2 H 1 1.8567 0.010 . 2 . . . A 260 ARG HB2 . 30118 1 299 . 1 1 25 25 ARG HB3 H 1 2.0941 0.010 . 2 . . . A 260 ARG HB3 . 30118 1 300 . 1 1 25 25 ARG HG2 H 1 1.8568 0.010 . 2 . . . A 260 ARG HG2 . 30118 1 301 . 1 1 25 25 ARG HG3 H 1 1.8568 0.010 . 2 . . . A 260 ARG HG3 . 30118 1 302 . 1 1 25 25 ARG HD2 H 1 3.3549 0.010 . 2 . . . A 260 ARG HD2 . 30118 1 303 . 1 1 25 25 ARG HD3 H 1 3.4584 0.010 . 2 . . . A 260 ARG HD3 . 30118 1 304 . 1 1 25 25 ARG C C 13 177.1660 0.100 . 1 . . . A 260 ARG C . 30118 1 305 . 1 1 25 25 ARG CA C 13 58.2991 0.100 . 1 . . . A 260 ARG CA . 30118 1 306 . 1 1 25 25 ARG CB C 13 30.5080 0.100 . 1 . . . A 260 ARG CB . 30118 1 307 . 1 1 25 25 ARG CG C 13 27.6485 0.100 . 1 . . . A 260 ARG CG . 30118 1 308 . 1 1 25 25 ARG CD C 13 43.3551 0.100 . 1 . . . A 260 ARG CD . 30118 1 309 . 1 1 25 25 ARG N N 15 120.3684 0.040 . 1 . . . A 260 ARG N . 30118 1 310 . 1 1 26 26 ILE H H 1 7.4761 0.010 . 1 . . . A 261 ILE H . 30118 1 311 . 1 1 26 26 ILE HA H 1 3.2245 0.010 . 1 . . . A 261 ILE HA . 30118 1 312 . 1 1 26 26 ILE HB H 1 1.0032 0.010 . 1 . . . A 261 ILE HB . 30118 1 313 . 1 1 26 26 ILE HG12 H 1 0.4729 0.010 . 2 . . . A 261 ILE HG12 . 30118 1 314 . 1 1 26 26 ILE HG13 H 1 0.8543 0.010 . 2 . . . A 261 ILE HG13 . 30118 1 315 . 1 1 26 26 ILE HG21 H 1 0.6216 0.010 . 1 . . . A 261 ILE HG21 . 30118 1 316 . 1 1 26 26 ILE HG22 H 1 0.6216 0.010 . 1 . . . A 261 ILE HG22 . 30118 1 317 . 1 1 26 26 ILE HG23 H 1 0.6216 0.010 . 1 . . . A 261 ILE HG23 . 30118 1 318 . 1 1 26 26 ILE HD11 H 1 0.2583 0.010 . 1 . . . A 261 ILE HD11 . 30118 1 319 . 1 1 26 26 ILE HD12 H 1 0.2583 0.010 . 1 . . . A 261 ILE HD12 . 30118 1 320 . 1 1 26 26 ILE HD13 H 1 0.2583 0.010 . 1 . . . A 261 ILE HD13 . 30118 1 321 . 1 1 26 26 ILE C C 13 176.4835 0.100 . 1 . . . A 261 ILE C . 30118 1 322 . 1 1 26 26 ILE CA C 13 63.9465 0.100 . 1 . . . A 261 ILE CA . 30118 1 323 . 1 1 26 26 ILE CB C 13 38.3514 0.100 . 1 . . . A 261 ILE CB . 30118 1 324 . 1 1 26 26 ILE CG1 C 13 29.3098 0.100 . 1 . . . A 261 ILE CG1 . 30118 1 325 . 1 1 26 26 ILE CG2 C 13 16.3483 0.100 . 1 . . . A 261 ILE CG2 . 30118 1 326 . 1 1 26 26 ILE CD1 C 13 15.0196 0.100 . 1 . . . A 261 ILE CD1 . 30118 1 327 . 1 1 26 26 ILE N N 15 115.7716 0.040 . 1 . . . A 261 ILE N . 30118 1 328 . 1 1 27 27 THR H H 1 7.5553 0.010 . 1 . . . A 262 THR H . 30118 1 329 . 1 1 27 27 THR HA H 1 3.7184 0.010 . 1 . . . A 262 THR HA . 30118 1 330 . 1 1 27 27 THR HB H 1 3.9047 0.010 . 1 . . . A 262 THR HB . 30118 1 331 . 1 1 27 27 THR HG1 H 1 0.9840 0.010 . 1 . . . A 262 THR HG1 . 30118 1 332 . 1 1 27 27 THR HG21 H 1 0.8326 0.010 . 1 . . . A 262 THR HG21 . 30118 1 333 . 1 1 27 27 THR HG22 H 1 0.8326 0.010 . 1 . . . A 262 THR HG22 . 30118 1 334 . 1 1 27 27 THR HG23 H 1 0.8326 0.010 . 1 . . . A 262 THR HG23 . 30118 1 335 . 1 1 27 27 THR C C 13 176.5950 0.100 . 1 . . . A 262 THR C . 30118 1 336 . 1 1 27 27 THR CA C 13 66.3058 0.100 . 1 . . . A 262 THR CA . 30118 1 337 . 1 1 27 27 THR CB C 13 68.0268 0.100 . 1 . . . A 262 THR CB . 30118 1 338 . 1 1 27 27 THR CG2 C 13 22.4478 0.100 . 1 . . . A 262 THR CG2 . 30118 1 339 . 1 1 27 27 THR N N 15 121.5767 0.040 . 1 . . . A 262 THR N . 30118 1 340 . 1 1 28 28 GLU H H 1 7.8289 0.010 . 1 . . . A 263 GLU H . 30118 1 341 . 1 1 28 28 GLU HA H 1 4.0117 0.010 . 1 . . . A 263 GLU HA . 30118 1 342 . 1 1 28 28 GLU HB2 H 1 2.0846 0.010 . 2 . . . A 263 GLU HB2 . 30118 1 343 . 1 1 28 28 GLU HB3 H 1 2.0293 0.010 . 2 . . . A 263 GLU HB3 . 30118 1 344 . 1 1 28 28 GLU HG2 H 1 2.2399 0.010 . 2 . . . A 263 GLU HG2 . 30118 1 345 . 1 1 28 28 GLU HG3 H 1 2.2929 0.010 . 2 . . . A 263 GLU HG3 . 30118 1 346 . 1 1 28 28 GLU C C 13 176.9497 0.100 . 1 . . . A 263 GLU C . 30118 1 347 . 1 1 28 28 GLU CA C 13 58.3848 0.100 . 1 . . . A 263 GLU CA . 30118 1 348 . 1 1 28 28 GLU CB C 13 29.9242 0.100 . 1 . . . A 263 GLU CB . 30118 1 349 . 1 1 28 28 GLU CG C 13 36.2635 0.100 . 1 . . . A 263 GLU CG . 30118 1 350 . 1 1 28 28 GLU N N 15 120.4239 0.040 . 1 . . . A 263 GLU N . 30118 1 351 . 1 1 29 29 LEU H H 1 7.1370 0.010 . 1 . . . A 264 LEU H . 30118 1 352 . 1 1 29 29 LEU HA H 1 4.3574 0.010 . 1 . . . A 264 LEU HA . 30118 1 353 . 1 1 29 29 LEU HB2 H 1 1.4288 0.010 . 2 . . . A 264 LEU HB2 . 30118 1 354 . 1 1 29 29 LEU HB3 H 1 1.5926 0.010 . 2 . . . A 264 LEU HB3 . 30118 1 355 . 1 1 29 29 LEU HG H 1 1.8148 0.010 . 1 . . . A 264 LEU HG . 30118 1 356 . 1 1 29 29 LEU HD11 H 1 0.8457 0.010 . 2 . . . A 264 LEU HD11 . 30118 1 357 . 1 1 29 29 LEU HD12 H 1 0.8457 0.010 . 2 . . . A 264 LEU HD12 . 30118 1 358 . 1 1 29 29 LEU HD13 H 1 0.8457 0.010 . 2 . . . A 264 LEU HD13 . 30118 1 359 . 1 1 29 29 LEU HD21 H 1 0.9866 0.010 . 2 . . . A 264 LEU HD21 . 30118 1 360 . 1 1 29 29 LEU HD22 H 1 0.9866 0.010 . 2 . . . A 264 LEU HD22 . 30118 1 361 . 1 1 29 29 LEU HD23 H 1 0.9866 0.010 . 2 . . . A 264 LEU HD23 . 30118 1 362 . 1 1 29 29 LEU C C 13 177.3167 0.100 . 1 . . . A 264 LEU C . 30118 1 363 . 1 1 29 29 LEU CA C 13 56.8364 0.100 . 1 . . . A 264 LEU CA . 30118 1 364 . 1 1 29 29 LEU CB C 13 43.9520 0.100 . 1 . . . A 264 LEU CB . 30118 1 365 . 1 1 29 29 LEU CG C 13 26.9208 0.100 . 1 . . . A 264 LEU CG . 30118 1 366 . 1 1 29 29 LEU CD1 C 13 26.2961 0.100 . 2 . . . A 264 LEU CD1 . 30118 1 367 . 1 1 29 29 LEU CD2 C 13 22.9455 0.100 . 2 . . . A 264 LEU CD2 . 30118 1 368 . 1 1 29 29 LEU N N 15 115.5491 0.040 . 1 . . . A 264 LEU N . 30118 1 369 . 1 1 30 30 ILE H H 1 8.1873 0.010 . 1 . . . A 265 ILE H . 30118 1 370 . 1 1 30 30 ILE HA H 1 4.4505 0.010 . 1 . . . A 265 ILE HA . 30118 1 371 . 1 1 30 30 ILE HB H 1 1.9480 0.010 . 1 . . . A 265 ILE HB . 30118 1 372 . 1 1 30 30 ILE HG12 H 1 1.0265 0.010 . 2 . . . A 265 ILE HG12 . 30118 1 373 . 1 1 30 30 ILE HG13 H 1 1.2972 0.010 . 2 . . . A 265 ILE HG13 . 30118 1 374 . 1 1 30 30 ILE HG21 H 1 1.0726 0.010 . 1 . . . A 265 ILE HG21 . 30118 1 375 . 1 1 30 30 ILE HG22 H 1 1.0726 0.010 . 1 . . . A 265 ILE HG22 . 30118 1 376 . 1 1 30 30 ILE HG23 H 1 1.0726 0.010 . 1 . . . A 265 ILE HG23 . 30118 1 377 . 1 1 30 30 ILE HD11 H 1 0.8831 0.010 . 1 . . . A 265 ILE HD11 . 30118 1 378 . 1 1 30 30 ILE HD12 H 1 0.8831 0.010 . 1 . . . A 265 ILE HD12 . 30118 1 379 . 1 1 30 30 ILE HD13 H 1 0.8831 0.010 . 1 . . . A 265 ILE HD13 . 30118 1 380 . 1 1 30 30 ILE C C 13 176.4896 0.100 . 1 . . . A 265 ILE C . 30118 1 381 . 1 1 30 30 ILE CA C 13 61.0067 0.100 . 1 . . . A 265 ILE CA . 30118 1 382 . 1 1 30 30 ILE CB C 13 40.8162 0.100 . 1 . . . A 265 ILE CB . 30118 1 383 . 1 1 30 30 ILE CG1 C 13 27.8098 0.100 . 1 . . . A 265 ILE CG1 . 30118 1 384 . 1 1 30 30 ILE CG2 C 13 19.4772 0.100 . 1 . . . A 265 ILE CG2 . 30118 1 385 . 1 1 30 30 ILE CD1 C 13 14.0876 0.100 . 1 . . . A 265 ILE CD1 . 30118 1 386 . 1 1 30 30 ILE N N 15 110.9364 0.040 . 1 . . . A 265 ILE N . 30118 1 387 . 1 1 31 31 GLY H H 1 7.6736 0.010 . 1 . . . A 266 GLY H . 30118 1 388 . 1 1 31 31 GLY HA2 H 1 3.8393 0.010 . 2 . . . A 266 GLY HA2 . 30118 1 389 . 1 1 31 31 GLY HA3 H 1 4.0346 0.010 . 2 . . . A 266 GLY HA3 . 30118 1 390 . 1 1 31 31 GLY C C 13 173.7547 0.100 . 1 . . . A 266 GLY C . 30118 1 391 . 1 1 31 31 GLY CA C 13 46.3884 0.100 . 1 . . . A 266 GLY CA . 30118 1 392 . 1 1 31 31 GLY N N 15 108.7383 0.040 . 1 . . . A 266 GLY N . 30118 1 393 . 1 1 32 32 TYR H H 1 5.8760 0.010 . 1 . . . A 267 TYR H . 30118 1 394 . 1 1 32 32 TYR HA H 1 4.3110 0.010 . 1 . . . A 267 TYR HA . 30118 1 395 . 1 1 32 32 TYR HB2 H 1 1.7640 0.010 . 2 . . . A 267 TYR HB2 . 30118 1 396 . 1 1 32 32 TYR HB3 H 1 2.7697 0.010 . 2 . . . A 267 TYR HB3 . 30118 1 397 . 1 1 32 32 TYR HD1 H 1 6.6312 0.010 . 3 . . . A 267 TYR HD1 . 30118 1 398 . 1 1 32 32 TYR HD2 H 1 6.6312 0.010 . 3 . . . A 267 TYR HD2 . 30118 1 399 . 1 1 32 32 TYR HE1 H 1 6.9212 0.010 . 3 . . . A 267 TYR HE1 . 30118 1 400 . 1 1 32 32 TYR HE2 H 1 6.9212 0.010 . 3 . . . A 267 TYR HE2 . 30118 1 401 . 1 1 32 32 TYR C C 13 175.9996 0.100 . 1 . . . A 267 TYR C . 30118 1 402 . 1 1 32 32 TYR CA C 13 57.8779 0.100 . 1 . . . A 267 TYR CA . 30118 1 403 . 1 1 32 32 TYR CB C 13 39.9733 0.100 . 1 . . . A 267 TYR CB . 30118 1 404 . 1 1 32 32 TYR CD1 C 13 132.2106 0.100 . 3 . . . A 267 TYR CD1 . 30118 1 405 . 1 1 32 32 TYR CD2 C 13 132.2106 0.100 . 3 . . . A 267 TYR CD2 . 30118 1 406 . 1 1 32 32 TYR CE1 C 13 117.6378 0.100 . 3 . . . A 267 TYR CE1 . 30118 1 407 . 1 1 32 32 TYR CE2 C 13 117.6378 0.100 . 3 . . . A 267 TYR CE2 . 30118 1 408 . 1 1 32 32 TYR N N 15 115.5759 0.040 . 1 . . . A 267 TYR N . 30118 1 409 . 1 1 33 33 HIS H H 1 9.7971 0.010 . 1 . . . A 268 HIS H . 30118 1 410 . 1 1 33 33 HIS HA H 1 4.5685 0.010 . 1 . . . A 268 HIS HA . 30118 1 411 . 1 1 33 33 HIS HB2 H 1 3.0219 0.010 . 2 . . . A 268 HIS HB2 . 30118 1 412 . 1 1 33 33 HIS HB3 H 1 3.2448 0.010 . 2 . . . A 268 HIS HB3 . 30118 1 413 . 1 1 33 33 HIS HD2 H 1 7.1343 0.010 . 1 . . . A 268 HIS HD2 . 30118 1 414 . 1 1 33 33 HIS HE1 H 1 7.8937 0.010 . 1 . . . A 268 HIS HE1 . 30118 1 415 . 1 1 33 33 HIS CA C 13 55.4487 0.100 . 1 . . . A 268 HIS CA . 30118 1 416 . 1 1 33 33 HIS CB C 13 30.1836 0.100 . 1 . . . A 268 HIS CB . 30118 1 417 . 1 1 33 33 HIS CD2 C 13 119.8941 0.100 . 1 . . . A 268 HIS CD2 . 30118 1 418 . 1 1 33 33 HIS CE1 C 13 137.8462 0.100 . 1 . . . A 268 HIS CE1 . 30118 1 419 . 1 1 33 33 HIS N N 15 123.8421 0.040 . 1 . . . A 268 HIS N . 30118 1 420 . 1 1 34 34 PRO HA H 1 3.5521 0.010 . 1 . . . A 269 PRO HA . 30118 1 421 . 1 1 34 34 PRO HB2 H 1 1.8533 0.010 . 2 . . . A 269 PRO HB2 . 30118 1 422 . 1 1 34 34 PRO HB3 H 1 2.1183 0.010 . 2 . . . A 269 PRO HB3 . 30118 1 423 . 1 1 34 34 PRO HG2 H 1 1.5513 0.010 . 2 . . . A 269 PRO HG2 . 30118 1 424 . 1 1 34 34 PRO HG3 H 1 2.1165 0.010 . 2 . . . A 269 PRO HG3 . 30118 1 425 . 1 1 34 34 PRO HD2 H 1 3.2729 0.010 . 2 . . . A 269 PRO HD2 . 30118 1 426 . 1 1 34 34 PRO HD3 H 1 3.4509 0.010 . 2 . . . A 269 PRO HD3 . 30118 1 427 . 1 1 34 34 PRO C C 13 177.7507 0.100 . 1 . . . A 269 PRO C . 30118 1 428 . 1 1 34 34 PRO CA C 13 66.6049 0.100 . 1 . . . A 269 PRO CA . 30118 1 429 . 1 1 34 34 PRO CB C 13 32.3471 0.100 . 1 . . . A 269 PRO CB . 30118 1 430 . 1 1 34 34 PRO CG C 13 28.2125 0.100 . 1 . . . A 269 PRO CG . 30118 1 431 . 1 1 34 34 PRO CD C 13 49.9169 0.100 . 1 . . . A 269 PRO CD . 30118 1 432 . 1 1 35 35 GLU H H 1 9.8121 0.010 . 1 . . . A 270 GLU H . 30118 1 433 . 1 1 35 35 GLU HA H 1 3.9162 0.010 . 1 . . . A 270 GLU HA . 30118 1 434 . 1 1 35 35 GLU HB2 H 1 2.0315 0.010 . 2 . . . A 270 GLU HB2 . 30118 1 435 . 1 1 35 35 GLU HB3 H 1 2.0315 0.010 . 2 . . . A 270 GLU HB3 . 30118 1 436 . 1 1 35 35 GLU HG2 H 1 2.2996 0.010 . 2 . . . A 270 GLU HG2 . 30118 1 437 . 1 1 35 35 GLU HG3 H 1 2.2996 0.010 . 2 . . . A 270 GLU HG3 . 30118 1 438 . 1 1 35 35 GLU C C 13 178.3160 0.100 . 1 . . . A 270 GLU C . 30118 1 439 . 1 1 35 35 GLU CA C 13 59.2335 0.100 . 1 . . . A 270 GLU CA . 30118 1 440 . 1 1 35 35 GLU CB C 13 28.9793 0.100 . 1 . . . A 270 GLU CB . 30118 1 441 . 1 1 35 35 GLU CG C 13 36.7540 0.100 . 1 . . . A 270 GLU CG . 30118 1 442 . 1 1 35 35 GLU N N 15 114.7788 0.040 . 1 . . . A 270 GLU N . 30118 1 443 . 1 1 36 36 GLU H H 1 7.9369 0.010 . 1 . . . A 271 GLU H . 30118 1 444 . 1 1 36 36 GLU HA H 1 4.2187 0.010 . 1 . . . A 271 GLU HA . 30118 1 445 . 1 1 36 36 GLU HB2 H 1 2.0722 0.010 . 2 . . . A 271 GLU HB2 . 30118 1 446 . 1 1 36 36 GLU HB3 H 1 2.3568 0.010 . 2 . . . A 271 GLU HB3 . 30118 1 447 . 1 1 36 36 GLU HG2 H 1 2.2053 0.010 . 2 . . . A 271 GLU HG2 . 30118 1 448 . 1 1 36 36 GLU HG3 H 1 2.6152 0.010 . 2 . . . A 271 GLU HG3 . 30118 1 449 . 1 1 36 36 GLU C C 13 176.2439 0.100 . 1 . . . A 271 GLU C . 30118 1 450 . 1 1 36 36 GLU CA C 13 57.7067 0.100 . 1 . . . A 271 GLU CA . 30118 1 451 . 1 1 36 36 GLU CB C 13 30.6235 0.100 . 1 . . . A 271 GLU CB . 30118 1 452 . 1 1 36 36 GLU CG C 13 37.7475 0.100 . 1 . . . A 271 GLU CG . 30118 1 453 . 1 1 36 36 GLU N N 15 117.4159 0.040 . 1 . . . A 271 GLU N . 30118 1 454 . 1 1 37 37 LEU H H 1 7.1269 0.010 . 1 . . . A 272 LEU H . 30118 1 455 . 1 1 37 37 LEU HA H 1 3.8030 0.010 . 1 . . . A 272 LEU HA . 30118 1 456 . 1 1 37 37 LEU HB2 H 1 -0.0039 0.010 . 2 . . . A 272 LEU HB2 . 30118 1 457 . 1 1 37 37 LEU HB3 H 1 0.8198 0.010 . 2 . . . A 272 LEU HB3 . 30118 1 458 . 1 1 37 37 LEU HG H 1 0.5621 0.010 . 1 . . . A 272 LEU HG . 30118 1 459 . 1 1 37 37 LEU HD11 H 1 -0.3547 0.010 . 2 . . . A 272 LEU HD11 . 30118 1 460 . 1 1 37 37 LEU HD12 H 1 -0.3547 0.010 . 2 . . . A 272 LEU HD12 . 30118 1 461 . 1 1 37 37 LEU HD13 H 1 -0.3547 0.010 . 2 . . . A 272 LEU HD13 . 30118 1 462 . 1 1 37 37 LEU HD21 H 1 -0.9303 0.010 . 2 . . . A 272 LEU HD21 . 30118 1 463 . 1 1 37 37 LEU HD22 H 1 -0.9303 0.010 . 2 . . . A 272 LEU HD22 . 30118 1 464 . 1 1 37 37 LEU HD23 H 1 -0.9303 0.010 . 2 . . . A 272 LEU HD23 . 30118 1 465 . 1 1 37 37 LEU C C 13 176.8901 0.100 . 1 . . . A 272 LEU C . 30118 1 466 . 1 1 37 37 LEU CA C 13 55.0442 0.100 . 1 . . . A 272 LEU CA . 30118 1 467 . 1 1 37 37 LEU CB C 13 41.7358 0.100 . 1 . . . A 272 LEU CB . 30118 1 468 . 1 1 37 37 LEU CG C 13 26.3409 0.100 . 1 . . . A 272 LEU CG . 30118 1 469 . 1 1 37 37 LEU CD1 C 13 25.3258 0.100 . 2 . . . A 272 LEU CD1 . 30118 1 470 . 1 1 37 37 LEU CD2 C 13 22.1287 0.100 . 2 . . . A 272 LEU CD2 . 30118 1 471 . 1 1 37 37 LEU N N 15 117.2296 0.040 . 1 . . . A 272 LEU N . 30118 1 472 . 1 1 38 38 LEU H H 1 6.7120 0.010 . 1 . . . A 273 LEU H . 30118 1 473 . 1 1 38 38 LEU HA H 1 3.7374 0.010 . 1 . . . A 273 LEU HA . 30118 1 474 . 1 1 38 38 LEU HB2 H 1 1.3643 0.010 . 2 . . . A 273 LEU HB2 . 30118 1 475 . 1 1 38 38 LEU HB3 H 1 1.6505 0.010 . 2 . . . A 273 LEU HB3 . 30118 1 476 . 1 1 38 38 LEU HG H 1 1.7042 0.010 . 1 . . . A 273 LEU HG . 30118 1 477 . 1 1 38 38 LEU HD11 H 1 0.8717 0.010 . 2 . . . A 273 LEU HD11 . 30118 1 478 . 1 1 38 38 LEU HD12 H 1 0.8717 0.010 . 2 . . . A 273 LEU HD12 . 30118 1 479 . 1 1 38 38 LEU HD13 H 1 0.8717 0.010 . 2 . . . A 273 LEU HD13 . 30118 1 480 . 1 1 38 38 LEU HD21 H 1 0.5822 0.010 . 2 . . . A 273 LEU HD21 . 30118 1 481 . 1 1 38 38 LEU HD22 H 1 0.5822 0.010 . 2 . . . A 273 LEU HD22 . 30118 1 482 . 1 1 38 38 LEU HD23 H 1 0.5822 0.010 . 2 . . . A 273 LEU HD23 . 30118 1 483 . 1 1 38 38 LEU C C 13 178.4747 0.100 . 1 . . . A 273 LEU C . 30118 1 484 . 1 1 38 38 LEU CA C 13 56.7827 0.100 . 1 . . . A 273 LEU CA . 30118 1 485 . 1 1 38 38 LEU CB C 13 40.8490 0.100 . 1 . . . A 273 LEU CB . 30118 1 486 . 1 1 38 38 LEU CG C 13 26.3955 0.100 . 1 . . . A 273 LEU CG . 30118 1 487 . 1 1 38 38 LEU CD1 C 13 24.9661 0.100 . 2 . . . A 273 LEU CD1 . 30118 1 488 . 1 1 38 38 LEU CD2 C 13 22.2657 0.100 . 2 . . . A 273 LEU CD2 . 30118 1 489 . 1 1 38 38 LEU N N 15 115.6359 0.040 . 1 . . . A 273 LEU N . 30118 1 490 . 1 1 39 39 GLY H H 1 9.0870 0.010 . 1 . . . A 274 GLY H . 30118 1 491 . 1 1 39 39 GLY HA2 H 1 3.8017 0.010 . 2 . . . A 274 GLY HA2 . 30118 1 492 . 1 1 39 39 GLY HA3 H 1 4.3021 0.010 . 2 . . . A 274 GLY HA3 . 30118 1 493 . 1 1 39 39 GLY C C 13 173.9861 0.100 . 1 . . . A 274 GLY C . 30118 1 494 . 1 1 39 39 GLY CA C 13 45.4955 0.100 . 1 . . . A 274 GLY CA . 30118 1 495 . 1 1 39 39 GLY N N 15 110.4785 0.040 . 1 . . . A 274 GLY N . 30118 1 496 . 1 1 40 40 ARG H H 1 8.3957 0.010 . 1 . . . A 275 ARG H . 30118 1 497 . 1 1 40 40 ARG HA H 1 4.6137 0.010 . 1 . . . A 275 ARG HA . 30118 1 498 . 1 1 40 40 ARG HB2 H 1 2.1194 0.010 . 2 . . . A 275 ARG HB2 . 30118 1 499 . 1 1 40 40 ARG HB3 H 1 2.2084 0.010 . 2 . . . A 275 ARG HB3 . 30118 1 500 . 1 1 40 40 ARG HG2 H 1 1.5844 0.010 . 2 . . . A 275 ARG HG2 . 30118 1 501 . 1 1 40 40 ARG HG3 H 1 1.7114 0.010 . 2 . . . A 275 ARG HG3 . 30118 1 502 . 1 1 40 40 ARG HD2 H 1 3.2585 0.010 . 2 . . . A 275 ARG HD2 . 30118 1 503 . 1 1 40 40 ARG HD3 H 1 3.3091 0.010 . 2 . . . A 275 ARG HD3 . 30118 1 504 . 1 1 40 40 ARG HE H 1 7.5682 0.010 . 1 . . . A 275 ARG HE . 30118 1 505 . 1 1 40 40 ARG C C 13 176.3815 0.100 . 1 . . . A 275 ARG C . 30118 1 506 . 1 1 40 40 ARG CA C 13 54.7959 0.100 . 1 . . . A 275 ARG CA . 30118 1 507 . 1 1 40 40 ARG CB C 13 30.8932 0.100 . 1 . . . A 275 ARG CB . 30118 1 508 . 1 1 40 40 ARG CG C 13 27.3082 0.100 . 1 . . . A 275 ARG CG . 30118 1 509 . 1 1 40 40 ARG CD C 13 42.9484 0.100 . 1 . . . A 275 ARG CD . 30118 1 510 . 1 1 40 40 ARG N N 15 119.8421 0.040 . 1 . . . A 275 ARG N . 30118 1 511 . 1 1 40 40 ARG NE N 15 84.1494 0.040 . 1 . . . A 275 ARG NE . 30118 1 512 . 1 1 41 41 SER H H 1 8.9430 0.010 . 1 . . . A 276 SER H . 30118 1 513 . 1 1 41 41 SER HA H 1 4.6137 0.010 . 1 . . . A 276 SER HA . 30118 1 514 . 1 1 41 41 SER HB2 H 1 3.7556 0.010 . 2 . . . A 276 SER HB2 . 30118 1 515 . 1 1 41 41 SER HB3 H 1 3.8784 0.010 . 2 . . . A 276 SER HB3 . 30118 1 516 . 1 1 41 41 SER C C 13 175.7574 0.100 . 1 . . . A 276 SER C . 30118 1 517 . 1 1 41 41 SER CA C 13 58.9723 0.100 . 1 . . . A 276 SER CA . 30118 1 518 . 1 1 41 41 SER CB C 13 63.6237 0.100 . 1 . . . A 276 SER CB . 30118 1 519 . 1 1 41 41 SER N N 15 117.2920 0.040 . 1 . . . A 276 SER N . 30118 1 520 . 1 1 42 42 ALA H H 1 8.5074 0.010 . 1 . . . A 277 ALA H . 30118 1 521 . 1 1 42 42 ALA HA H 1 4.0080 0.010 . 1 . . . A 277 ALA HA . 30118 1 522 . 1 1 42 42 ALA HB1 H 1 0.8878 0.010 . 1 . . . A 277 ALA HB1 . 30118 1 523 . 1 1 42 42 ALA HB2 H 1 0.8878 0.010 . 1 . . . A 277 ALA HB2 . 30118 1 524 . 1 1 42 42 ALA HB3 H 1 0.8878 0.010 . 1 . . . A 277 ALA HB3 . 30118 1 525 . 1 1 42 42 ALA C C 13 178.1701 0.100 . 1 . . . A 277 ALA C . 30118 1 526 . 1 1 42 42 ALA CA C 13 55.6596 0.100 . 1 . . . A 277 ALA CA . 30118 1 527 . 1 1 42 42 ALA CB C 13 18.2980 0.100 . 1 . . . A 277 ALA CB . 30118 1 528 . 1 1 42 42 ALA N N 15 128.6874 0.040 . 1 . . . A 277 ALA N . 30118 1 529 . 1 1 43 43 SER H H 1 7.5074 0.010 . 1 . . . A 278 SER H . 30118 1 530 . 1 1 43 43 SER HB2 H 1 3.0108 0.010 . 2 . . . A 278 SER HB2 . 30118 1 531 . 1 1 43 43 SER HB3 H 1 3.4879 0.010 . 2 . . . A 278 SER HB3 . 30118 1 532 . 1 1 43 43 SER C C 13 176.3363 0.100 . 1 . . . A 278 SER C . 30118 1 533 . 1 1 43 43 SER CA C 13 58.7848 0.100 . 1 . . . A 278 SER CA . 30118 1 534 . 1 1 43 43 SER CB C 13 62.2919 0.100 . 1 . . . A 278 SER CB . 30118 1 535 . 1 1 43 43 SER N N 15 107.8761 0.040 . 1 . . . A 278 SER N . 30118 1 536 . 1 1 44 44 GLU H H 1 7.2850 0.010 . 1 . . . A 279 GLU H . 30118 1 537 . 1 1 44 44 GLU HA H 1 3.7881 0.010 . 1 . . . A 279 GLU HA . 30118 1 538 . 1 1 44 44 GLU HB2 H 1 1.4264 0.010 . 2 . . . A 279 GLU HB2 . 30118 1 539 . 1 1 44 44 GLU HB3 H 1 1.5046 0.010 . 2 . . . A 279 GLU HB3 . 30118 1 540 . 1 1 44 44 GLU HG2 H 1 1.9345 0.010 . 2 . . . A 279 GLU HG2 . 30118 1 541 . 1 1 44 44 GLU HG3 H 1 2.0105 0.010 . 2 . . . A 279 GLU HG3 . 30118 1 542 . 1 1 44 44 GLU C C 13 176.6734 0.100 . 1 . . . A 279 GLU C . 30118 1 543 . 1 1 44 44 GLU CA C 13 58.2437 0.100 . 1 . . . A 279 GLU CA . 30118 1 544 . 1 1 44 44 GLU CB C 13 28.9188 0.100 . 1 . . . A 279 GLU CB . 30118 1 545 . 1 1 44 44 GLU CG C 13 37.3199 0.100 . 1 . . . A 279 GLU CG . 30118 1 546 . 1 1 44 44 GLU N N 15 121.4794 0.040 . 1 . . . A 279 GLU N . 30118 1 547 . 1 1 45 45 PHE H H 1 7.5438 0.010 . 1 . . . A 280 PHE H . 30118 1 548 . 1 1 45 45 PHE HA H 1 4.5596 0.010 . 1 . . . A 280 PHE HA . 30118 1 549 . 1 1 45 45 PHE HB2 H 1 3.0451 0.010 . 2 . . . A 280 PHE HB2 . 30118 1 550 . 1 1 45 45 PHE HB3 H 1 3.6452 0.010 . 2 . . . A 280 PHE HB3 . 30118 1 551 . 1 1 45 45 PHE HD1 H 1 7.2243 0.010 . 3 . . . A 280 PHE HD1 . 30118 1 552 . 1 1 45 45 PHE HD2 H 1 7.2243 0.010 . 3 . . . A 280 PHE HD2 . 30118 1 553 . 1 1 45 45 PHE HE1 H 1 6.8498 0.010 . 3 . . . A 280 PHE HE1 . 30118 1 554 . 1 1 45 45 PHE HE2 H 1 6.8498 0.010 . 3 . . . A 280 PHE HE2 . 30118 1 555 . 1 1 45 45 PHE HZ H 1 6.6497 0.010 . 1 . . . A 280 PHE HZ . 30118 1 556 . 1 1 45 45 PHE C C 13 175.1228 0.100 . 1 . . . A 280 PHE C . 30118 1 557 . 1 1 45 45 PHE CA C 13 56.8784 0.100 . 1 . . . A 280 PHE CA . 30118 1 558 . 1 1 45 45 PHE CB C 13 40.5767 0.100 . 1 . . . A 280 PHE CB . 30118 1 559 . 1 1 45 45 PHE CD1 C 13 131.4849 0.100 . 3 . . . A 280 PHE CD1 . 30118 1 560 . 1 1 45 45 PHE CD2 C 13 131.4849 0.100 . 3 . . . A 280 PHE CD2 . 30118 1 561 . 1 1 45 45 PHE CE1 C 13 130.7796 0.100 . 3 . . . A 280 PHE CE1 . 30118 1 562 . 1 1 45 45 PHE CE2 C 13 130.7796 0.100 . 3 . . . A 280 PHE CE2 . 30118 1 563 . 1 1 45 45 PHE CZ C 13 128.9713 0.100 . 1 . . . A 280 PHE CZ . 30118 1 564 . 1 1 45 45 PHE N N 15 114.1983 0.040 . 1 . . . A 280 PHE N . 30118 1 565 . 1 1 46 46 TRP H H 1 6.9055 0.010 . 1 . . . A 281 TRP H . 30118 1 566 . 1 1 46 46 TRP HA H 1 5.5805 0.010 . 1 . . . A 281 TRP HA . 30118 1 567 . 1 1 46 46 TRP HB2 H 1 3.0277 0.010 . 2 . . . A 281 TRP HB2 . 30118 1 568 . 1 1 46 46 TRP HB3 H 1 3.2807 0.010 . 2 . . . A 281 TRP HB3 . 30118 1 569 . 1 1 46 46 TRP HD1 H 1 7.0290 0.010 . 1 . . . A 281 TRP HD1 . 30118 1 570 . 1 1 46 46 TRP HE1 H 1 10.0524 0.010 . 1 . . . A 281 TRP HE1 . 30118 1 571 . 1 1 46 46 TRP HE3 H 1 7.3961 0.010 . 1 . . . A 281 TRP HE3 . 30118 1 572 . 1 1 46 46 TRP HZ2 H 1 6.6579 0.010 . 1 . . . A 281 TRP HZ2 . 30118 1 573 . 1 1 46 46 TRP HZ3 H 1 6.9801 0.010 . 1 . . . A 281 TRP HZ3 . 30118 1 574 . 1 1 46 46 TRP HH2 H 1 6.6525 0.010 . 1 . . . A 281 TRP HH2 . 30118 1 575 . 1 1 46 46 TRP C C 13 176.7287 0.100 . 1 . . . A 281 TRP C . 30118 1 576 . 1 1 46 46 TRP CA C 13 54.4780 0.100 . 1 . . . A 281 TRP CA . 30118 1 577 . 1 1 46 46 TRP CB C 13 29.6580 0.100 . 1 . . . A 281 TRP CB . 30118 1 578 . 1 1 46 46 TRP CD1 C 13 123.5436 0.100 . 1 . . . A 281 TRP CD1 . 30118 1 579 . 1 1 46 46 TRP CE3 C 13 120.6773 0.100 . 1 . . . A 281 TRP CE3 . 30118 1 580 . 1 1 46 46 TRP CZ2 C 13 113.7150 0.100 . 1 . . . A 281 TRP CZ2 . 30118 1 581 . 1 1 46 46 TRP CZ3 C 13 122.1542 0.100 . 1 . . . A 281 TRP CZ3 . 30118 1 582 . 1 1 46 46 TRP CH2 C 13 123.6445 0.100 . 1 . . . A 281 TRP CH2 . 30118 1 583 . 1 1 46 46 TRP N N 15 120.0835 0.040 . 1 . . . A 281 TRP N . 30118 1 584 . 1 1 46 46 TRP NE1 N 15 128.4745 0.040 . 1 . . . A 281 TRP NE1 . 30118 1 585 . 1 1 47 47 HIS H H 1 8.5994 0.010 . 1 . . . A 282 HIS H . 30118 1 586 . 1 1 47 47 HIS HA H 1 3.9586 0.010 . 1 . . . A 282 HIS HA . 30118 1 587 . 1 1 47 47 HIS HB2 H 1 2.5309 0.010 . 2 . . . A 282 HIS HB2 . 30118 1 588 . 1 1 47 47 HIS HB3 H 1 3.0128 0.010 . 2 . . . A 282 HIS HB3 . 30118 1 589 . 1 1 47 47 HIS HE1 H 1 7.5143 0.010 . 1 . . . A 282 HIS HE1 . 30118 1 590 . 1 1 47 47 HIS C C 13 176.8642 0.100 . 1 . . . A 282 HIS C . 30118 1 591 . 1 1 47 47 HIS CA C 13 58.6739 0.100 . 1 . . . A 282 HIS CA . 30118 1 592 . 1 1 47 47 HIS CB C 13 32.9888 0.100 . 1 . . . A 282 HIS CB . 30118 1 593 . 1 1 47 47 HIS CE1 C 13 138.0130 0.100 . 1 . . . A 282 HIS CE1 . 30118 1 594 . 1 1 47 47 HIS N N 15 124.2385 0.040 . 1 . . . A 282 HIS N . 30118 1 595 . 1 1 48 48 ALA H H 1 8.5931 0.010 . 1 . . . A 283 ALA H . 30118 1 596 . 1 1 48 48 ALA HA H 1 4.2100 0.010 . 1 . . . A 283 ALA HA . 30118 1 597 . 1 1 48 48 ALA HB1 H 1 1.4082 0.010 . 1 . . . A 283 ALA HB1 . 30118 1 598 . 1 1 48 48 ALA HB2 H 1 1.4082 0.010 . 1 . . . A 283 ALA HB2 . 30118 1 599 . 1 1 48 48 ALA HB3 H 1 1.4082 0.010 . 1 . . . A 283 ALA HB3 . 30118 1 600 . 1 1 48 48 ALA C C 13 181.3875 0.100 . 1 . . . A 283 ALA C . 30118 1 601 . 1 1 48 48 ALA CA C 13 55.8101 0.100 . 1 . . . A 283 ALA CA . 30118 1 602 . 1 1 48 48 ALA CB C 13 18.9920 0.100 . 1 . . . A 283 ALA CB . 30118 1 603 . 1 1 48 48 ALA N N 15 131.3689 0.040 . 1 . . . A 283 ALA N . 30118 1 604 . 1 1 49 49 LEU H H 1 11.4088 0.010 . 1 . . . A 284 LEU H . 30118 1 605 . 1 1 49 49 LEU HA H 1 4.3017 0.010 . 1 . . . A 284 LEU HA . 30118 1 606 . 1 1 49 49 LEU HB2 H 1 1.4713 0.010 . 2 . . . A 284 LEU HB2 . 30118 1 607 . 1 1 49 49 LEU HB3 H 1 1.7750 0.010 . 2 . . . A 284 LEU HB3 . 30118 1 608 . 1 1 49 49 LEU HG H 1 1.8822 0.010 . 1 . . . A 284 LEU HG . 30118 1 609 . 1 1 49 49 LEU HD11 H 1 0.8701 0.010 . 2 . . . A 284 LEU HD11 . 30118 1 610 . 1 1 49 49 LEU HD12 H 1 0.8701 0.010 . 2 . . . A 284 LEU HD12 . 30118 1 611 . 1 1 49 49 LEU HD13 H 1 0.8701 0.010 . 2 . . . A 284 LEU HD13 . 30118 1 612 . 1 1 49 49 LEU HD21 H 1 0.9474 0.010 . 2 . . . A 284 LEU HD21 . 30118 1 613 . 1 1 49 49 LEU HD22 H 1 0.9474 0.010 . 2 . . . A 284 LEU HD22 . 30118 1 614 . 1 1 49 49 LEU HD23 H 1 0.9474 0.010 . 2 . . . A 284 LEU HD23 . 30118 1 615 . 1 1 49 49 LEU C C 13 178.4982 0.100 . 1 . . . A 284 LEU C . 30118 1 616 . 1 1 49 49 LEU CA C 13 56.9077 0.100 . 1 . . . A 284 LEU CA . 30118 1 617 . 1 1 49 49 LEU CB C 13 41.4833 0.100 . 1 . . . A 284 LEU CB . 30118 1 618 . 1 1 49 49 LEU CG C 13 27.1849 0.100 . 1 . . . A 284 LEU CG . 30118 1 619 . 1 1 49 49 LEU CD1 C 13 25.5356 0.100 . 2 . . . A 284 LEU CD1 . 30118 1 620 . 1 1 49 49 LEU CD2 C 13 22.3159 0.100 . 2 . . . A 284 LEU CD2 . 30118 1 621 . 1 1 49 49 LEU N N 15 119.8258 0.040 . 1 . . . A 284 LEU N . 30118 1 622 . 1 1 50 50 ASP H H 1 8.0925 0.010 . 1 . . . A 285 ASP H . 30118 1 623 . 1 1 50 50 ASP HA H 1 5.1274 0.010 . 1 . . . A 285 ASP HA . 30118 1 624 . 1 1 50 50 ASP HB2 H 1 2.6136 0.010 . 2 . . . A 285 ASP HB2 . 30118 1 625 . 1 1 50 50 ASP HB3 H 1 2.9813 0.010 . 2 . . . A 285 ASP HB3 . 30118 1 626 . 1 1 50 50 ASP C C 13 176.5557 0.100 . 1 . . . A 285 ASP C . 30118 1 627 . 1 1 50 50 ASP CA C 13 54.9160 0.100 . 1 . . . A 285 ASP CA . 30118 1 628 . 1 1 50 50 ASP CB C 13 43.8479 0.100 . 1 . . . A 285 ASP CB . 30118 1 629 . 1 1 50 50 ASP N N 15 117.0266 0.040 . 1 . . . A 285 ASP N . 30118 1 630 . 1 1 51 51 SER H H 1 7.5388 0.010 . 1 . . . A 286 SER H . 30118 1 631 . 1 1 51 51 SER HA H 1 4.0220 0.010 . 1 . . . A 286 SER HA . 30118 1 632 . 1 1 51 51 SER HB2 H 1 4.1654 0.010 . 2 . . . A 286 SER HB2 . 30118 1 633 . 1 1 51 51 SER HB3 H 1 4.1132 0.010 . 2 . . . A 286 SER HB3 . 30118 1 634 . 1 1 51 51 SER C C 13 176.5551 0.100 . 1 . . . A 286 SER C . 30118 1 635 . 1 1 51 51 SER CA C 13 62.5329 0.100 . 1 . . . A 286 SER CA . 30118 1 636 . 1 1 51 51 SER CB C 13 63.3306 0.100 . 1 . . . A 286 SER CB . 30118 1 637 . 1 1 51 51 SER N N 15 115.5430 0.040 . 1 . . . A 286 SER N . 30118 1 638 . 1 1 52 52 GLU H H 1 9.0065 0.010 . 1 . . . A 287 GLU H . 30118 1 639 . 1 1 52 52 GLU HA H 1 4.0943 0.010 . 1 . . . A 287 GLU HA . 30118 1 640 . 1 1 52 52 GLU HB2 H 1 2.0261 0.010 . 2 . . . A 287 GLU HB2 . 30118 1 641 . 1 1 52 52 GLU HB3 H 1 2.0765 0.010 . 2 . . . A 287 GLU HB3 . 30118 1 642 . 1 1 52 52 GLU HG2 H 1 2.1947 0.010 . 2 . . . A 287 GLU HG2 . 30118 1 643 . 1 1 52 52 GLU HG3 H 1 2.3393 0.010 . 2 . . . A 287 GLU HG3 . 30118 1 644 . 1 1 52 52 GLU C C 13 178.9649 0.100 . 1 . . . A 287 GLU C . 30118 1 645 . 1 1 52 52 GLU CA C 13 60.2240 0.100 . 1 . . . A 287 GLU CA . 30118 1 646 . 1 1 52 52 GLU CB C 13 28.8710 0.100 . 1 . . . A 287 GLU CB . 30118 1 647 . 1 1 52 52 GLU CG C 13 36.6084 0.100 . 1 . . . A 287 GLU CG . 30118 1 648 . 1 1 52 52 GLU N N 15 123.9404 0.040 . 1 . . . A 287 GLU N . 30118 1 649 . 1 1 53 53 ASN H H 1 8.5205 0.010 . 1 . . . A 288 ASN H . 30118 1 650 . 1 1 53 53 ASN HA H 1 4.4041 0.010 . 1 . . . A 288 ASN HA . 30118 1 651 . 1 1 53 53 ASN HB2 H 1 2.7439 0.010 . 2 . . . A 288 ASN HB2 . 30118 1 652 . 1 1 53 53 ASN HB3 H 1 2.8534 0.010 . 2 . . . A 288 ASN HB3 . 30118 1 653 . 1 1 53 53 ASN HD21 H 1 7.9953 0.010 . 2 . . . A 288 ASN HD21 . 30118 1 654 . 1 1 53 53 ASN HD22 H 1 6.9663 0.010 . 2 . . . A 288 ASN HD22 . 30118 1 655 . 1 1 53 53 ASN C C 13 178.8939 0.100 . 1 . . . A 288 ASN C . 30118 1 656 . 1 1 53 53 ASN CA C 13 55.9209 0.100 . 1 . . . A 288 ASN CA . 30118 1 657 . 1 1 53 53 ASN CB C 13 37.6029 0.100 . 1 . . . A 288 ASN CB . 30118 1 658 . 1 1 53 53 ASN N N 15 119.1448 0.040 . 1 . . . A 288 ASN N . 30118 1 659 . 1 1 53 53 ASN ND2 N 15 113.0587 0.040 . 1 . . . A 288 ASN ND2 . 30118 1 660 . 1 1 54 54 MET H H 1 7.9572 0.010 . 1 . . . A 289 MET H . 30118 1 661 . 1 1 54 54 MET HA H 1 4.0996 0.010 . 1 . . . A 289 MET HA . 30118 1 662 . 1 1 54 54 MET HB2 H 1 0.5853 0.010 . 2 . . . A 289 MET HB2 . 30118 1 663 . 1 1 54 54 MET HB3 H 1 -0.1674 0.010 . 2 . . . A 289 MET HB3 . 30118 1 664 . 1 1 54 54 MET HG2 H 1 0.5220 0.010 . 2 . . . A 289 MET HG2 . 30118 1 665 . 1 1 54 54 MET HG3 H 1 1.7426 0.010 . 2 . . . A 289 MET HG3 . 30118 1 666 . 1 1 54 54 MET HE1 H 1 0.7585 0.010 . 1 . . . A 289 MET HE1 . 30118 1 667 . 1 1 54 54 MET HE2 H 1 0.7585 0.010 . 1 . . . A 289 MET HE2 . 30118 1 668 . 1 1 54 54 MET HE3 H 1 0.7585 0.010 . 1 . . . A 289 MET HE3 . 30118 1 669 . 1 1 54 54 MET C C 13 178.9659 0.100 . 1 . . . A 289 MET C . 30118 1 670 . 1 1 54 54 MET CA C 13 55.6934 0.100 . 1 . . . A 289 MET CA . 30118 1 671 . 1 1 54 54 MET CB C 13 27.3848 0.100 . 1 . . . A 289 MET CB . 30118 1 672 . 1 1 54 54 MET CG C 13 31.8518 0.100 . 1 . . . A 289 MET CG . 30118 1 673 . 1 1 54 54 MET CE C 13 14.3154 0.100 . 1 . . . A 289 MET CE . 30118 1 674 . 1 1 54 54 MET N N 15 119.8175 0.040 . 1 . . . A 289 MET N . 30118 1 675 . 1 1 55 55 THR H H 1 8.3277 0.010 . 1 . . . A 290 THR H . 30118 1 676 . 1 1 55 55 THR HA H 1 3.9831 0.010 . 1 . . . A 290 THR HA . 30118 1 677 . 1 1 55 55 THR HB H 1 4.4073 0.010 . 1 . . . A 290 THR HB . 30118 1 678 . 1 1 55 55 THR HG1 H 1 5.5183 0.010 . 1 . . . A 290 THR HG1 . 30118 1 679 . 1 1 55 55 THR HG21 H 1 1.3105 0.010 . 1 . . . A 290 THR HG21 . 30118 1 680 . 1 1 55 55 THR HG22 H 1 1.3105 0.010 . 1 . . . A 290 THR HG22 . 30118 1 681 . 1 1 55 55 THR HG23 H 1 1.3105 0.010 . 1 . . . A 290 THR HG23 . 30118 1 682 . 1 1 55 55 THR C C 13 177.0599 0.100 . 1 . . . A 290 THR C . 30118 1 683 . 1 1 55 55 THR CA C 13 67.3980 0.100 . 1 . . . A 290 THR CA . 30118 1 684 . 1 1 55 55 THR CB C 13 68.6802 0.100 . 1 . . . A 290 THR CB . 30118 1 685 . 1 1 55 55 THR CG2 C 13 21.3653 0.100 . 1 . . . A 290 THR CG2 . 30118 1 686 . 1 1 55 55 THR N N 15 119.8375 0.040 . 1 . . . A 290 THR N . 30118 1 687 . 1 1 56 56 LYS H H 1 7.8545 0.010 . 1 . . . A 291 LYS H . 30118 1 688 . 1 1 56 56 LYS HA H 1 4.0721 0.010 . 1 . . . A 291 LYS HA . 30118 1 689 . 1 1 56 56 LYS HB2 H 1 1.9166 0.010 . 2 . . . A 291 LYS HB2 . 30118 1 690 . 1 1 56 56 LYS HB3 H 1 1.9166 0.010 . 2 . . . A 291 LYS HB3 . 30118 1 691 . 1 1 56 56 LYS HG2 H 1 1.5983 0.010 . 2 . . . A 291 LYS HG2 . 30118 1 692 . 1 1 56 56 LYS HG3 H 1 1.4435 0.010 . 2 . . . A 291 LYS HG3 . 30118 1 693 . 1 1 56 56 LYS HD2 H 1 1.6847 0.010 . 2 . . . A 291 LYS HD2 . 30118 1 694 . 1 1 56 56 LYS HD3 H 1 1.6847 0.010 . 2 . . . A 291 LYS HD3 . 30118 1 695 . 1 1 56 56 LYS HE2 H 1 2.9654 0.010 . 2 . . . A 291 LYS HE2 . 30118 1 696 . 1 1 56 56 LYS HE3 H 1 2.9654 0.010 . 2 . . . A 291 LYS HE3 . 30118 1 697 . 1 1 56 56 LYS CA C 13 59.6164 0.100 . 1 . . . A 291 LYS CA . 30118 1 698 . 1 1 56 56 LYS CB C 13 31.9217 0.100 . 1 . . . A 291 LYS CB . 30118 1 699 . 1 1 56 56 LYS CG C 13 25.4749 0.100 . 1 . . . A 291 LYS CG . 30118 1 700 . 1 1 56 56 LYS CD C 13 29.3053 0.100 . 1 . . . A 291 LYS CD . 30118 1 701 . 1 1 56 56 LYS CE C 13 42.2392 0.100 . 1 . . . A 291 LYS CE . 30118 1 702 . 1 1 56 56 LYS N N 15 122.1302 0.040 . 1 . . . A 291 LYS N . 30118 1 703 . 1 1 57 57 SER H H 1 8.1157 0.010 . 1 . . . A 292 SER H . 30118 1 704 . 1 1 57 57 SER HA H 1 4.2160 0.010 . 1 . . . A 292 SER HA . 30118 1 705 . 1 1 57 57 SER HB2 H 1 3.6632 0.010 . 2 . . . A 292 SER HB2 . 30118 1 706 . 1 1 57 57 SER HB3 H 1 3.9614 0.010 . 2 . . . A 292 SER HB3 . 30118 1 707 . 1 1 57 57 SER CA C 13 62.6273 0.100 . 1 . . . A 292 SER CA . 30118 1 708 . 1 1 57 57 SER CB C 13 62.6372 0.100 . 1 . . . A 292 SER CB . 30118 1 709 . 1 1 57 57 SER N N 15 116.3705 0.040 . 1 . . . A 292 SER N . 30118 1 710 . 1 1 58 58 HIS H H 1 7.9088 0.010 . 1 . . . A 293 HIS H . 30118 1 711 . 1 1 58 58 HIS HA H 1 4.1962 0.010 . 1 . . . A 293 HIS HA . 30118 1 712 . 1 1 58 58 HIS HB2 H 1 3.3447 0.010 . 2 . . . A 293 HIS HB2 . 30118 1 713 . 1 1 58 58 HIS HB3 H 1 3.1591 0.010 . 2 . . . A 293 HIS HB3 . 30118 1 714 . 1 1 58 58 HIS HD2 H 1 6.7638 0.010 . 1 . . . A 293 HIS HD2 . 30118 1 715 . 1 1 58 58 HIS HE1 H 1 7.4067 0.010 . 1 . . . A 293 HIS HE1 . 30118 1 716 . 1 1 58 58 HIS CA C 13 59.1579 0.100 . 1 . . . A 293 HIS CA . 30118 1 717 . 1 1 58 58 HIS CB C 13 30.5393 0.100 . 1 . . . A 293 HIS CB . 30118 1 718 . 1 1 58 58 HIS CD2 C 13 116.6629 0.100 . 1 . . . A 293 HIS CD2 . 30118 1 719 . 1 1 58 58 HIS CE1 C 13 137.5529 0.100 . 1 . . . A 293 HIS CE1 . 30118 1 720 . 1 1 58 58 HIS N N 15 120.5971 0.040 . 1 . . . A 293 HIS N . 30118 1 721 . 1 1 59 59 GLN H H 1 7.8910 0.010 . 1 . . . A 294 GLN H . 30118 1 722 . 1 1 59 59 GLN HA H 1 3.9492 0.010 . 1 . . . A 294 GLN HA . 30118 1 723 . 1 1 59 59 GLN HB2 H 1 2.0981 0.010 . 2 . . . A 294 GLN HB2 . 30118 1 724 . 1 1 59 59 GLN HB3 H 1 2.2135 0.010 . 2 . . . A 294 GLN HB3 . 30118 1 725 . 1 1 59 59 GLN HG2 H 1 2.4123 0.010 . 2 . . . A 294 GLN HG2 . 30118 1 726 . 1 1 59 59 GLN HG3 H 1 2.5408 0.010 . 2 . . . A 294 GLN HG3 . 30118 1 727 . 1 1 59 59 GLN HE21 H 1 7.4106 0.010 . 2 . . . A 294 GLN HE21 . 30118 1 728 . 1 1 59 59 GLN HE22 H 1 6.8150 0.010 . 2 . . . A 294 GLN HE22 . 30118 1 729 . 1 1 59 59 GLN CA C 13 58.8062 0.100 . 1 . . . A 294 GLN CA . 30118 1 730 . 1 1 59 59 GLN CB C 13 28.1982 0.100 . 1 . . . A 294 GLN CB . 30118 1 731 . 1 1 59 59 GLN CG C 13 33.9769 0.100 . 1 . . . A 294 GLN CG . 30118 1 732 . 1 1 59 59 GLN N N 15 118.4848 0.040 . 1 . . . A 294 GLN N . 30118 1 733 . 1 1 59 59 GLN NE2 N 15 111.5643 0.040 . 1 . . . A 294 GLN NE2 . 30118 1 734 . 1 1 60 60 ASN H H 1 8.2968 0.010 . 1 . . . A 295 ASN H . 30118 1 735 . 1 1 60 60 ASN HA H 1 4.5724 0.010 . 1 . . . A 295 ASN HA . 30118 1 736 . 1 1 60 60 ASN HB2 H 1 2.8095 0.010 . 2 . . . A 295 ASN HB2 . 30118 1 737 . 1 1 60 60 ASN HB3 H 1 2.9104 0.010 . 2 . . . A 295 ASN HB3 . 30118 1 738 . 1 1 60 60 ASN HD21 H 1 6.9806 0.010 . 2 . . . A 295 ASN HD21 . 30118 1 739 . 1 1 60 60 ASN HD22 H 1 7.4977 0.010 . 2 . . . A 295 ASN HD22 . 30118 1 740 . 1 1 60 60 ASN CA C 13 58.0442 0.100 . 1 . . . A 295 ASN CA . 30118 1 741 . 1 1 60 60 ASN CB C 13 38.4766 0.100 . 1 . . . A 295 ASN CB . 30118 1 742 . 1 1 60 60 ASN ND2 N 15 112.2953 0.040 . 1 . . . A 295 ASN ND2 . 30118 1 743 . 1 1 61 61 LEU H H 1 8.1119 0.010 . 1 . . . A 296 LEU H . 30118 1 744 . 1 1 61 61 LEU HA H 1 3.8518 0.010 . 1 . . . A 296 LEU HA . 30118 1 745 . 1 1 61 61 LEU HB2 H 1 1.6202 0.010 . 2 . . . A 296 LEU HB2 . 30118 1 746 . 1 1 61 61 LEU HB3 H 1 1.9387 0.010 . 2 . . . A 296 LEU HB3 . 30118 1 747 . 1 1 61 61 LEU HG H 1 1.4260 0.010 . 1 . . . A 296 LEU HG . 30118 1 748 . 1 1 61 61 LEU HD11 H 1 0.7720 0.010 . 2 . . . A 296 LEU HD11 . 30118 1 749 . 1 1 61 61 LEU HD12 H 1 0.7720 0.010 . 2 . . . A 296 LEU HD12 . 30118 1 750 . 1 1 61 61 LEU HD13 H 1 0.7720 0.010 . 2 . . . A 296 LEU HD13 . 30118 1 751 . 1 1 61 61 LEU HD21 H 1 0.8150 0.010 . 2 . . . A 296 LEU HD21 . 30118 1 752 . 1 1 61 61 LEU HD22 H 1 0.8150 0.010 . 2 . . . A 296 LEU HD22 . 30118 1 753 . 1 1 61 61 LEU HD23 H 1 0.8150 0.010 . 2 . . . A 296 LEU HD23 . 30118 1 754 . 1 1 61 61 LEU CA C 13 58.1731 0.100 . 1 . . . A 296 LEU CA . 30118 1 755 . 1 1 61 61 LEU CB C 13 41.3687 0.100 . 1 . . . A 296 LEU CB . 30118 1 756 . 1 1 61 61 LEU CG C 13 26.8119 0.100 . 1 . . . A 296 LEU CG . 30118 1 757 . 1 1 61 61 LEU CD1 C 13 24.8700 0.100 . 2 . . . A 296 LEU CD1 . 30118 1 758 . 1 1 61 61 LEU CD2 C 13 26.1120 0.100 . 2 . . . A 296 LEU CD2 . 30118 1 759 . 1 1 61 61 LEU N N 15 122.1526 0.040 . 1 . . . A 296 LEU N . 30118 1 760 . 1 1 62 62 CYS H H 1 7.8964 0.010 . 1 . . . A 297 CYS H . 30118 1 761 . 1 1 62 62 CYS HA H 1 4.0441 0.010 . 1 . . . A 297 CYS HA . 30118 1 762 . 1 1 62 62 CYS HB2 H 1 2.9651 0.010 . 2 . . . A 297 CYS HB2 . 30118 1 763 . 1 1 62 62 CYS HB3 H 1 2.8895 0.010 . 2 . . . A 297 CYS HB3 . 30118 1 764 . 1 1 62 62 CYS CA C 13 62.7883 0.100 . 1 . . . A 297 CYS CA . 30118 1 765 . 1 1 62 62 CYS CB C 13 26.9959 0.100 . 1 . . . A 297 CYS CB . 30118 1 766 . 1 1 62 62 CYS N N 15 113.8445 0.040 . 1 . . . A 297 CYS N . 30118 1 767 . 1 1 63 63 THR H H 1 7.6730 0.010 . 1 . . . A 298 THR H . 30118 1 768 . 1 1 63 63 THR HA H 1 4.3106 0.010 . 1 . . . A 298 THR HA . 30118 1 769 . 1 1 63 63 THR HB H 1 4.2386 0.010 . 1 . . . A 298 THR HB . 30118 1 770 . 1 1 63 63 THR HG21 H 1 1.2466 0.010 . 1 . . . A 298 THR HG21 . 30118 1 771 . 1 1 63 63 THR HG22 H 1 1.2466 0.010 . 1 . . . A 298 THR HG22 . 30118 1 772 . 1 1 63 63 THR HG23 H 1 1.2466 0.010 . 1 . . . A 298 THR HG23 . 30118 1 773 . 1 1 63 63 THR C C 13 175.5348 0.100 . 1 . . . A 298 THR C . 30118 1 774 . 1 1 63 63 THR CA C 13 63.9531 0.100 . 1 . . . A 298 THR CA . 30118 1 775 . 1 1 63 63 THR CB C 13 69.5763 0.100 . 1 . . . A 298 THR CB . 30118 1 776 . 1 1 63 63 THR CG2 C 13 22.0755 0.100 . 1 . . . A 298 THR CG2 . 30118 1 777 . 1 1 63 63 THR N N 15 111.9333 0.040 . 1 . . . A 298 THR N . 30118 1 778 . 1 1 64 64 LYS H H 1 8.2849 0.010 . 1 . . . A 299 LYS H . 30118 1 779 . 1 1 64 64 LYS HA H 1 4.4530 0.010 . 1 . . . A 299 LYS HA . 30118 1 780 . 1 1 64 64 LYS HB2 H 1 1.9872 0.010 . 2 . . . A 299 LYS HB2 . 30118 1 781 . 1 1 64 64 LYS HB3 H 1 1.8921 0.010 . 2 . . . A 299 LYS HB3 . 30118 1 782 . 1 1 64 64 LYS HG2 H 1 1.5022 0.010 . 2 . . . A 299 LYS HG2 . 30118 1 783 . 1 1 64 64 LYS HG3 H 1 1.5639 0.010 . 2 . . . A 299 LYS HG3 . 30118 1 784 . 1 1 64 64 LYS HD2 H 1 1.5389 0.010 . 2 . . . A 299 LYS HD2 . 30118 1 785 . 1 1 64 64 LYS HD3 H 1 1.5389 0.010 . 2 . . . A 299 LYS HD3 . 30118 1 786 . 1 1 64 64 LYS HE2 H 1 2.9998 0.010 . 2 . . . A 299 LYS HE2 . 30118 1 787 . 1 1 64 64 LYS HE3 H 1 2.9998 0.010 . 2 . . . A 299 LYS HE3 . 30118 1 788 . 1 1 64 64 LYS C C 13 177.9951 0.100 . 1 . . . A 299 LYS C . 30118 1 789 . 1 1 64 64 LYS CA C 13 57.1466 0.100 . 1 . . . A 299 LYS CA . 30118 1 790 . 1 1 64 64 LYS CB C 13 34.1669 0.100 . 1 . . . A 299 LYS CB . 30118 1 791 . 1 1 64 64 LYS CG C 13 25.3447 0.100 . 1 . . . A 299 LYS CG . 30118 1 792 . 1 1 64 64 LYS CD C 13 28.9002 0.100 . 1 . . . A 299 LYS CD . 30118 1 793 . 1 1 64 64 LYS CE C 13 44.0914 0.100 . 1 . . . A 299 LYS CE . 30118 1 794 . 1 1 64 64 LYS N N 15 119.9805 0.040 . 1 . . . A 299 LYS N . 30118 1 795 . 1 1 65 65 GLY H H 1 8.4713 0.010 . 1 . . . A 300 GLY H . 30118 1 796 . 1 1 65 65 GLY HA2 H 1 3.8494 0.010 . 2 . . . A 300 GLY HA2 . 30118 1 797 . 1 1 65 65 GLY HA3 H 1 4.4639 0.010 . 2 . . . A 300 GLY HA3 . 30118 1 798 . 1 1 65 65 GLY C C 13 173.3344 0.100 . 1 . . . A 300 GLY C . 30118 1 799 . 1 1 65 65 GLY CA C 13 46.3524 0.100 . 1 . . . A 300 GLY CA . 30118 1 800 . 1 1 65 65 GLY N N 15 108.9370 0.040 . 1 . . . A 300 GLY N . 30118 1 801 . 1 1 66 66 GLN H H 1 7.3247 0.010 . 1 . . . A 301 GLN H . 30118 1 802 . 1 1 66 66 GLN HA H 1 5.0805 0.010 . 1 . . . A 301 GLN HA . 30118 1 803 . 1 1 66 66 GLN HB2 H 1 2.1096 0.010 . 2 . . . A 301 GLN HB2 . 30118 1 804 . 1 1 66 66 GLN HB3 H 1 2.1538 0.010 . 2 . . . A 301 GLN HB3 . 30118 1 805 . 1 1 66 66 GLN HG2 H 1 2.2850 0.010 . 2 . . . A 301 GLN HG2 . 30118 1 806 . 1 1 66 66 GLN HG3 H 1 2.3965 0.010 . 2 . . . A 301 GLN HG3 . 30118 1 807 . 1 1 66 66 GLN HE21 H 1 7.5278 0.010 . 2 . . . A 301 GLN HE21 . 30118 1 808 . 1 1 66 66 GLN HE22 H 1 6.7995 0.010 . 2 . . . A 301 GLN HE22 . 30118 1 809 . 1 1 66 66 GLN C C 13 174.5080 0.100 . 1 . . . A 301 GLN C . 30118 1 810 . 1 1 66 66 GLN CA C 13 55.2490 0.100 . 1 . . . A 301 GLN CA . 30118 1 811 . 1 1 66 66 GLN CB C 13 31.5085 0.100 . 1 . . . A 301 GLN CB . 30118 1 812 . 1 1 66 66 GLN CG C 13 33.6717 0.100 . 1 . . . A 301 GLN CG . 30118 1 813 . 1 1 66 66 GLN N N 15 117.4516 0.040 . 1 . . . A 301 GLN N . 30118 1 814 . 1 1 66 66 GLN NE2 N 15 111.5643 0.040 . 1 . . . A 301 GLN NE2 . 30118 1 815 . 1 1 67 67 VAL H H 1 8.6374 0.010 . 1 . . . A 302 VAL H . 30118 1 816 . 1 1 67 67 VAL HA H 1 4.5067 0.010 . 1 . . . A 302 VAL HA . 30118 1 817 . 1 1 67 67 VAL HB H 1 1.9688 0.010 . 1 . . . A 302 VAL HB . 30118 1 818 . 1 1 67 67 VAL HG11 H 1 0.7940 0.010 . 2 . . . A 302 VAL HG11 . 30118 1 819 . 1 1 67 67 VAL HG12 H 1 0.7940 0.010 . 2 . . . A 302 VAL HG12 . 30118 1 820 . 1 1 67 67 VAL HG13 H 1 0.7940 0.010 . 2 . . . A 302 VAL HG13 . 30118 1 821 . 1 1 67 67 VAL HG21 H 1 0.9788 0.010 . 2 . . . A 302 VAL HG21 . 30118 1 822 . 1 1 67 67 VAL HG22 H 1 0.9788 0.010 . 2 . . . A 302 VAL HG22 . 30118 1 823 . 1 1 67 67 VAL HG23 H 1 0.9788 0.010 . 2 . . . A 302 VAL HG23 . 30118 1 824 . 1 1 67 67 VAL CA C 13 61.5482 0.100 . 1 . . . A 302 VAL CA . 30118 1 825 . 1 1 67 67 VAL CB C 13 35.9312 0.100 . 1 . . . A 302 VAL CB . 30118 1 826 . 1 1 67 67 VAL CG1 C 13 21.2788 0.100 . 2 . . . A 302 VAL CG1 . 30118 1 827 . 1 1 67 67 VAL CG2 C 13 21.9251 0.100 . 2 . . . A 302 VAL CG2 . 30118 1 828 . 1 1 67 67 VAL N N 15 120.6331 0.040 . 1 . . . A 302 VAL N . 30118 1 829 . 1 1 68 68 VAL H H 1 8.4100 0.010 . 1 . . . A 303 VAL H . 30118 1 830 . 1 1 68 68 VAL HA H 1 4.6769 0.010 . 1 . . . A 303 VAL HA . 30118 1 831 . 1 1 68 68 VAL HB H 1 2.0394 0.010 . 1 . . . A 303 VAL HB . 30118 1 832 . 1 1 68 68 VAL HG11 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG11 . 30118 1 833 . 1 1 68 68 VAL HG12 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG12 . 30118 1 834 . 1 1 68 68 VAL HG13 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG13 . 30118 1 835 . 1 1 68 68 VAL HG21 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG21 . 30118 1 836 . 1 1 68 68 VAL HG22 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG22 . 30118 1 837 . 1 1 68 68 VAL HG23 H 1 0.9735 0.010 . 2 . . . A 303 VAL HG23 . 30118 1 838 . 1 1 68 68 VAL CA C 13 61.3944 0.100 . 1 . . . A 303 VAL CA . 30118 1 839 . 1 1 68 68 VAL CB C 13 33.6371 0.100 . 1 . . . A 303 VAL CB . 30118 1 840 . 1 1 68 68 VAL CG1 C 13 21.3430 0.100 . 2 . . . A 303 VAL CG1 . 30118 1 841 . 1 1 68 68 VAL CG2 C 13 21.3430 0.100 . 2 . . . A 303 VAL CG2 . 30118 1 842 . 1 1 68 68 VAL N N 15 124.2779 0.040 . 1 . . . A 303 VAL N . 30118 1 843 . 1 1 69 69 SER H H 1 8.9606 0.010 . 1 . . . A 304 SER H . 30118 1 844 . 1 1 69 69 SER HB2 H 1 4.0306 0.010 . 2 . . . A 304 SER HB2 . 30118 1 845 . 1 1 69 69 SER HB3 H 1 3.7289 0.010 . 2 . . . A 304 SER HB3 . 30118 1 846 . 1 1 69 69 SER CB C 13 64.8421 0.100 . 1 . . . A 304 SER CB . 30118 1 847 . 1 1 69 69 SER N N 15 121.7896 0.040 . 1 . . . A 304 SER N . 30118 1 848 . 1 1 70 70 GLY H H 1 7.9712 0.010 . 1 . . . A 305 GLY H . 30118 1 849 . 1 1 70 70 GLY HA2 H 1 4.0926 0.010 . 2 . . . A 305 GLY HA2 . 30118 1 850 . 1 1 70 70 GLY HA3 H 1 4.2706 0.010 . 2 . . . A 305 GLY HA3 . 30118 1 851 . 1 1 70 70 GLY C C 13 173.5917 0.100 . 1 . . . A 305 GLY C . 30118 1 852 . 1 1 70 70 GLY CA C 13 45.1101 0.100 . 1 . . . A 305 GLY CA . 30118 1 853 . 1 1 70 70 GLY N N 15 107.8310 0.040 . 1 . . . A 305 GLY N . 30118 1 854 . 1 1 71 71 GLN H H 1 8.6231 0.010 . 1 . . . A 306 GLN H . 30118 1 855 . 1 1 71 71 GLN HA H 1 5.3672 0.010 . 1 . . . A 306 GLN HA . 30118 1 856 . 1 1 71 71 GLN HB2 H 1 2.0205 0.010 . 2 . . . A 306 GLN HB2 . 30118 1 857 . 1 1 71 71 GLN HB3 H 1 2.0991 0.010 . 2 . . . A 306 GLN HB3 . 30118 1 858 . 1 1 71 71 GLN HG2 H 1 2.2677 0.010 . 2 . . . A 306 GLN HG2 . 30118 1 859 . 1 1 71 71 GLN HG3 H 1 2.5183 0.010 . 2 . . . A 306 GLN HG3 . 30118 1 860 . 1 1 71 71 GLN HE21 H 1 7.2666 0.010 . 2 . . . A 306 GLN HE21 . 30118 1 861 . 1 1 71 71 GLN HE22 H 1 6.5066 0.010 . 2 . . . A 306 GLN HE22 . 30118 1 862 . 1 1 71 71 GLN C C 13 176.5521 0.100 . 1 . . . A 306 GLN C . 30118 1 863 . 1 1 71 71 GLN CA C 13 56.5684 0.100 . 1 . . . A 306 GLN CA . 30118 1 864 . 1 1 71 71 GLN CB C 13 28.9945 0.100 . 1 . . . A 306 GLN CB . 30118 1 865 . 1 1 71 71 GLN CG C 13 34.2288 0.100 . 1 . . . A 306 GLN CG . 30118 1 866 . 1 1 71 71 GLN N N 15 119.9805 0.040 . 1 . . . A 306 GLN N . 30118 1 867 . 1 1 71 71 GLN NE2 N 15 110.6661 0.040 . 1 . . . A 306 GLN NE2 . 30118 1 868 . 1 1 72 72 TYR H H 1 9.5506 0.010 . 1 . . . A 307 TYR H . 30118 1 869 . 1 1 72 72 TYR HA H 1 4.8172 0.010 . 1 . . . A 307 TYR HA . 30118 1 870 . 1 1 72 72 TYR HB2 H 1 3.0312 0.010 . 2 . . . A 307 TYR HB2 . 30118 1 871 . 1 1 72 72 TYR HB3 H 1 2.4978 0.010 . 2 . . . A 307 TYR HB3 . 30118 1 872 . 1 1 72 72 TYR HD1 H 1 7.0528 0.010 . 3 . . . A 307 TYR HD1 . 30118 1 873 . 1 1 72 72 TYR HD2 H 1 7.0528 0.010 . 3 . . . A 307 TYR HD2 . 30118 1 874 . 1 1 72 72 TYR HE1 H 1 6.6471 0.010 . 3 . . . A 307 TYR HE1 . 30118 1 875 . 1 1 72 72 TYR HE2 H 1 6.6471 0.010 . 3 . . . A 307 TYR HE2 . 30118 1 876 . 1 1 72 72 TYR C C 13 171.1693 0.100 . 1 . . . A 307 TYR C . 30118 1 877 . 1 1 72 72 TYR CA C 13 56.2783 0.100 . 1 . . . A 307 TYR CA . 30118 1 878 . 1 1 72 72 TYR CB C 13 40.8826 0.100 . 1 . . . A 307 TYR CB . 30118 1 879 . 1 1 72 72 TYR CD1 C 13 134.1936 0.100 . 3 . . . A 307 TYR CD1 . 30118 1 880 . 1 1 72 72 TYR CD2 C 13 134.1936 0.100 . 3 . . . A 307 TYR CD2 . 30118 1 881 . 1 1 72 72 TYR CE1 C 13 116.5091 0.100 . 3 . . . A 307 TYR CE1 . 30118 1 882 . 1 1 72 72 TYR CE2 C 13 116.5091 0.100 . 3 . . . A 307 TYR CE2 . 30118 1 883 . 1 1 72 72 TYR N N 15 122.3245 0.040 . 1 . . . A 307 TYR N . 30118 1 884 . 1 1 73 73 ARG H H 1 8.5583 0.010 . 1 . . . A 308 ARG H . 30118 1 885 . 1 1 73 73 ARG HA H 1 4.5311 0.010 . 1 . . . A 308 ARG HA . 30118 1 886 . 1 1 73 73 ARG HB2 H 1 0.9233 0.010 . 2 . . . A 308 ARG HB2 . 30118 1 887 . 1 1 73 73 ARG HB3 H 1 1.3373 0.010 . 2 . . . A 308 ARG HB3 . 30118 1 888 . 1 1 73 73 ARG HG2 H 1 -0.9569 0.010 . 2 . . . A 308 ARG HG2 . 30118 1 889 . 1 1 73 73 ARG HG3 H 1 -0.2477 0.010 . 2 . . . A 308 ARG HG3 . 30118 1 890 . 1 1 73 73 ARG HD2 H 1 1.7955 0.010 . 2 . . . A 308 ARG HD2 . 30118 1 891 . 1 1 73 73 ARG HD3 H 1 1.1710 0.010 . 2 . . . A 308 ARG HD3 . 30118 1 892 . 1 1 73 73 ARG HE H 1 7.4642 0.010 . 1 . . . A 308 ARG HE . 30118 1 893 . 1 1 73 73 ARG C C 13 174.7667 0.100 . 1 . . . A 308 ARG C . 30118 1 894 . 1 1 73 73 ARG CA C 13 54.0259 0.100 . 1 . . . A 308 ARG CA . 30118 1 895 . 1 1 73 73 ARG CB C 13 32.6653 0.100 . 1 . . . A 308 ARG CB . 30118 1 896 . 1 1 73 73 ARG CG C 13 24.3737 0.100 . 1 . . . A 308 ARG CG . 30118 1 897 . 1 1 73 73 ARG CD C 13 43.4682 0.100 . 1 . . . A 308 ARG CD . 30118 1 898 . 1 1 73 73 ARG N N 15 119.4142 0.040 . 1 . . . A 308 ARG N . 30118 1 899 . 1 1 73 73 ARG NE N 15 85.5342 0.040 . 1 . . . A 308 ARG NE . 30118 1 900 . 1 1 74 74 MET H H 1 9.0581 0.010 . 1 . . . A 309 MET H . 30118 1 901 . 1 1 74 74 MET HA H 1 5.5814 0.010 . 1 . . . A 309 MET HA . 30118 1 902 . 1 1 74 74 MET HB2 H 1 1.9459 0.010 . 2 . . . A 309 MET HB2 . 30118 1 903 . 1 1 74 74 MET HB3 H 1 2.0357 0.010 . 2 . . . A 309 MET HB3 . 30118 1 904 . 1 1 74 74 MET HG2 H 1 3.1075 0.010 . 2 . . . A 309 MET HG2 . 30118 1 905 . 1 1 74 74 MET HG3 H 1 2.9333 0.010 . 2 . . . A 309 MET HG3 . 30118 1 906 . 1 1 74 74 MET HE1 H 1 1.8862 0.010 . 1 . . . A 309 MET HE1 . 30118 1 907 . 1 1 74 74 MET HE2 H 1 1.8862 0.010 . 1 . . . A 309 MET HE2 . 30118 1 908 . 1 1 74 74 MET HE3 H 1 1.8862 0.010 . 1 . . . A 309 MET HE3 . 30118 1 909 . 1 1 74 74 MET C C 13 175.3271 0.100 . 1 . . . A 309 MET C . 30118 1 910 . 1 1 74 74 MET CA C 13 53.9003 0.100 . 1 . . . A 309 MET CA . 30118 1 911 . 1 1 74 74 MET CB C 13 36.0269 0.100 . 1 . . . A 309 MET CB . 30118 1 912 . 1 1 74 74 MET CG C 13 34.1261 0.100 . 1 . . . A 309 MET CG . 30118 1 913 . 1 1 74 74 MET CE C 13 18.3155 0.100 . 1 . . . A 309 MET CE . 30118 1 914 . 1 1 74 74 MET N N 15 123.7291 0.040 . 1 . . . A 309 MET N . 30118 1 915 . 1 1 75 75 LEU H H 1 9.3917 0.010 . 1 . . . A 310 LEU H . 30118 1 916 . 1 1 75 75 LEU HA H 1 4.1100 0.010 . 1 . . . A 310 LEU HA . 30118 1 917 . 1 1 75 75 LEU HB2 H 1 1.6596 0.010 . 2 . . . A 310 LEU HB2 . 30118 1 918 . 1 1 75 75 LEU HB3 H 1 1.9039 0.010 . 2 . . . A 310 LEU HB3 . 30118 1 919 . 1 1 75 75 LEU HG H 1 1.6080 0.010 . 1 . . . A 310 LEU HG . 30118 1 920 . 1 1 75 75 LEU HD11 H 1 0.6846 0.010 . 2 . . . A 310 LEU HD11 . 30118 1 921 . 1 1 75 75 LEU HD12 H 1 0.6846 0.010 . 2 . . . A 310 LEU HD12 . 30118 1 922 . 1 1 75 75 LEU HD13 H 1 0.6846 0.010 . 2 . . . A 310 LEU HD13 . 30118 1 923 . 1 1 75 75 LEU HD21 H 1 0.9083 0.010 . 2 . . . A 310 LEU HD21 . 30118 1 924 . 1 1 75 75 LEU HD22 H 1 0.9083 0.010 . 2 . . . A 310 LEU HD22 . 30118 1 925 . 1 1 75 75 LEU HD23 H 1 0.9083 0.010 . 2 . . . A 310 LEU HD23 . 30118 1 926 . 1 1 75 75 LEU C C 13 176.6928 0.100 . 1 . . . A 310 LEU C . 30118 1 927 . 1 1 75 75 LEU CA C 13 55.7792 0.100 . 1 . . . A 310 LEU CA . 30118 1 928 . 1 1 75 75 LEU CB C 13 42.5986 0.100 . 1 . . . A 310 LEU CB . 30118 1 929 . 1 1 75 75 LEU CG C 13 26.8664 0.100 . 1 . . . A 310 LEU CG . 30118 1 930 . 1 1 75 75 LEU CD1 C 13 23.8892 0.100 . 2 . . . A 310 LEU CD1 . 30118 1 931 . 1 1 75 75 LEU CD2 C 13 24.8239 0.100 . 2 . . . A 310 LEU CD2 . 30118 1 932 . 1 1 75 75 LEU N N 15 128.2972 0.040 . 1 . . . A 310 LEU N . 30118 1 933 . 1 1 76 76 ALA H H 1 8.8394 0.010 . 1 . . . A 311 ALA H . 30118 1 934 . 1 1 76 76 ALA HA H 1 4.5111 0.010 . 1 . . . A 311 ALA HA . 30118 1 935 . 1 1 76 76 ALA HB1 H 1 1.2209 0.010 . 1 . . . A 311 ALA HB1 . 30118 1 936 . 1 1 76 76 ALA HB2 H 1 1.2209 0.010 . 1 . . . A 311 ALA HB2 . 30118 1 937 . 1 1 76 76 ALA HB3 H 1 1.2209 0.010 . 1 . . . A 311 ALA HB3 . 30118 1 938 . 1 1 76 76 ALA C C 13 177.9540 0.100 . 1 . . . A 311 ALA C . 30118 1 939 . 1 1 76 76 ALA CA C 13 51.0443 0.100 . 1 . . . A 311 ALA CA . 30118 1 940 . 1 1 76 76 ALA CB C 13 19.7202 0.100 . 1 . . . A 311 ALA CB . 30118 1 941 . 1 1 76 76 ALA N N 15 131.2028 0.040 . 1 . . . A 311 ALA N . 30118 1 942 . 1 1 77 77 LYS H H 1 6.6979 0.010 . 1 . . . A 312 LYS H . 30118 1 943 . 1 1 77 77 LYS HA H 1 3.3599 0.010 . 1 . . . A 312 LYS HA . 30118 1 944 . 1 1 77 77 LYS HB2 H 1 0.9766 0.010 . 2 . . . A 312 LYS HB2 . 30118 1 945 . 1 1 77 77 LYS HB3 H 1 0.0321 0.010 . 2 . . . A 312 LYS HB3 . 30118 1 946 . 1 1 77 77 LYS HG2 H 1 0.5888 0.010 . 2 . . . A 312 LYS HG2 . 30118 1 947 . 1 1 77 77 LYS HG3 H 1 0.5888 0.010 . 2 . . . A 312 LYS HG3 . 30118 1 948 . 1 1 77 77 LYS HD2 H 1 1.3240 0.010 . 2 . . . A 312 LYS HD2 . 30118 1 949 . 1 1 77 77 LYS HD3 H 1 1.1515 0.010 . 2 . . . A 312 LYS HD3 . 30118 1 950 . 1 1 77 77 LYS HE2 H 1 2.7781 0.010 . 2 . . . A 312 LYS HE2 . 30118 1 951 . 1 1 77 77 LYS HE3 H 1 2.7781 0.010 . 2 . . . A 312 LYS HE3 . 30118 1 952 . 1 1 77 77 LYS CA C 13 59.2049 0.100 . 1 . . . A 312 LYS CA . 30118 1 953 . 1 1 77 77 LYS CB C 13 32.3190 0.100 . 1 . . . A 312 LYS CB . 30118 1 954 . 1 1 77 77 LYS CG C 13 24.4099 0.100 . 1 . . . A 312 LYS CG . 30118 1 955 . 1 1 77 77 LYS CD C 13 29.3207 0.100 . 1 . . . A 312 LYS CD . 30118 1 956 . 1 1 77 77 LYS CE C 13 42.2771 0.100 . 1 . . . A 312 LYS CE . 30118 1 957 . 1 1 77 77 LYS N N 15 120.9839 0.040 . 1 . . . A 312 LYS N . 30118 1 958 . 1 1 78 78 HIS H H 1 7.8614 0.010 . 1 . . . A 313 HIS H . 30118 1 959 . 1 1 78 78 HIS HA H 1 4.6289 0.010 . 1 . . . A 313 HIS HA . 30118 1 960 . 1 1 78 78 HIS HB2 H 1 3.0379 0.010 . 2 . . . A 313 HIS HB2 . 30118 1 961 . 1 1 78 78 HIS HB3 H 1 3.2428 0.010 . 2 . . . A 313 HIS HB3 . 30118 1 962 . 1 1 78 78 HIS HD2 H 1 6.9259 0.010 . 1 . . . A 313 HIS HD2 . 30118 1 963 . 1 1 78 78 HIS HE1 H 1 7.6732 0.010 . 1 . . . A 313 HIS HE1 . 30118 1 964 . 1 1 78 78 HIS C C 13 175.4534 0.100 . 1 . . . A 313 HIS C . 30118 1 965 . 1 1 78 78 HIS CA C 13 55.7721 0.100 . 1 . . . A 313 HIS CA . 30118 1 966 . 1 1 78 78 HIS CB C 13 29.4842 0.100 . 1 . . . A 313 HIS CB . 30118 1 967 . 1 1 78 78 HIS CD2 C 13 119.4977 0.100 . 1 . . . A 313 HIS CD2 . 30118 1 968 . 1 1 78 78 HIS CE1 C 13 138.1724 0.100 . 1 . . . A 313 HIS CE1 . 30118 1 969 . 1 1 78 78 HIS N N 15 113.0657 0.040 . 1 . . . A 313 HIS N . 30118 1 970 . 1 1 79 79 GLY H H 1 7.2459 0.010 . 1 . . . A 314 GLY H . 30118 1 971 . 1 1 79 79 GLY HA2 H 1 3.6497 0.010 . 2 . . . A 314 GLY HA2 . 30118 1 972 . 1 1 79 79 GLY HA3 H 1 4.5111 0.010 . 2 . . . A 314 GLY HA3 . 30118 1 973 . 1 1 79 79 GLY CA C 13 44.5506 0.100 . 1 . . . A 314 GLY CA . 30118 1 974 . 1 1 79 79 GLY N N 15 108.1782 0.040 . 1 . . . A 314 GLY N . 30118 1 975 . 1 1 80 80 GLY H H 1 8.0470 0.010 . 1 . . . A 315 GLY H . 30118 1 976 . 1 1 80 80 GLY HA2 H 1 3.9463 0.010 . 2 . . . A 315 GLY HA2 . 30118 1 977 . 1 1 80 80 GLY HA3 H 1 4.1246 0.010 . 2 . . . A 315 GLY HA3 . 30118 1 978 . 1 1 80 80 GLY C C 13 172.5709 0.100 . 1 . . . A 315 GLY C . 30118 1 979 . 1 1 80 80 GLY CA C 13 44.6742 0.100 . 1 . . . A 315 GLY CA . 30118 1 980 . 1 1 80 80 GLY N N 15 107.2707 0.040 . 1 . . . A 315 GLY N . 30118 1 981 . 1 1 81 81 TYR H H 1 8.3989 0.010 . 1 . . . A 316 TYR H . 30118 1 982 . 1 1 81 81 TYR HA H 1 5.4472 0.010 . 1 . . . A 316 TYR HA . 30118 1 983 . 1 1 81 81 TYR HB2 H 1 2.6995 0.010 . 2 . . . A 316 TYR HB2 . 30118 1 984 . 1 1 81 81 TYR HB3 H 1 2.6995 0.010 . 2 . . . A 316 TYR HB3 . 30118 1 985 . 1 1 81 81 TYR HD1 H 1 6.7920 0.010 . 3 . . . A 316 TYR HD1 . 30118 1 986 . 1 1 81 81 TYR HD2 H 1 6.7920 0.010 . 3 . . . A 316 TYR HD2 . 30118 1 987 . 1 1 81 81 TYR HE1 H 1 6.6580 0.010 . 3 . . . A 316 TYR HE1 . 30118 1 988 . 1 1 81 81 TYR HE2 H 1 6.6580 0.010 . 3 . . . A 316 TYR HE2 . 30118 1 989 . 1 1 81 81 TYR C C 13 174.2881 0.100 . 1 . . . A 316 TYR C . 30118 1 990 . 1 1 81 81 TYR CA C 13 57.1277 0.100 . 1 . . . A 316 TYR CA . 30118 1 991 . 1 1 81 81 TYR CB C 13 41.9708 0.100 . 1 . . . A 316 TYR CB . 30118 1 992 . 1 1 81 81 TYR CD1 C 13 133.1370 0.100 . 3 . . . A 316 TYR CD1 . 30118 1 993 . 1 1 81 81 TYR CD2 C 13 133.1370 0.100 . 3 . . . A 316 TYR CD2 . 30118 1 994 . 1 1 81 81 TYR CE1 C 13 118.5232 0.100 . 3 . . . A 316 TYR CE1 . 30118 1 995 . 1 1 81 81 TYR CE2 C 13 118.5232 0.100 . 3 . . . A 316 TYR CE2 . 30118 1 996 . 1 1 81 81 TYR N N 15 115.2704 0.040 . 1 . . . A 316 TYR N . 30118 1 997 . 1 1 82 82 VAL H H 1 8.8904 0.010 . 1 . . . A 317 VAL H . 30118 1 998 . 1 1 82 82 VAL HA H 1 4.5060 0.010 . 1 . . . A 317 VAL HA . 30118 1 999 . 1 1 82 82 VAL HB H 1 1.9712 0.010 . 1 . . . A 317 VAL HB . 30118 1 1000 . 1 1 82 82 VAL HG11 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG11 . 30118 1 1001 . 1 1 82 82 VAL HG12 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG12 . 30118 1 1002 . 1 1 82 82 VAL HG13 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG13 . 30118 1 1003 . 1 1 82 82 VAL HG21 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG21 . 30118 1 1004 . 1 1 82 82 VAL HG22 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG22 . 30118 1 1005 . 1 1 82 82 VAL HG23 H 1 0.9777 0.010 . 2 . . . A 317 VAL HG23 . 30118 1 1006 . 1 1 82 82 VAL C C 13 174.6677 0.100 . 1 . . . A 317 VAL C . 30118 1 1007 . 1 1 82 82 VAL CA C 13 59.7164 0.100 . 1 . . . A 317 VAL CA . 30118 1 1008 . 1 1 82 82 VAL CB C 13 35.6061 0.100 . 1 . . . A 317 VAL CB . 30118 1 1009 . 1 1 82 82 VAL CG1 C 13 21.9120 0.100 . 2 . . . A 317 VAL CG1 . 30118 1 1010 . 1 1 82 82 VAL CG2 C 13 21.9120 0.100 . 2 . . . A 317 VAL CG2 . 30118 1 1011 . 1 1 82 82 VAL N N 15 116.8518 0.040 . 1 . . . A 317 VAL N . 30118 1 1012 . 1 1 83 83 TRP H H 1 8.5226 0.010 . 1 . . . A 318 TRP H . 30118 1 1013 . 1 1 83 83 TRP HA H 1 4.8890 0.010 . 1 . . . A 318 TRP HA . 30118 1 1014 . 1 1 83 83 TRP HB2 H 1 2.9091 0.010 . 2 . . . A 318 TRP HB2 . 30118 1 1015 . 1 1 83 83 TRP HB3 H 1 2.9752 0.010 . 2 . . . A 318 TRP HB3 . 30118 1 1016 . 1 1 83 83 TRP HD1 H 1 7.3586 0.010 . 1 . . . A 318 TRP HD1 . 30118 1 1017 . 1 1 83 83 TRP HE1 H 1 10.2244 0.010 . 1 . . . A 318 TRP HE1 . 30118 1 1018 . 1 1 83 83 TRP HE3 H 1 7.2678 0.010 . 1 . . . A 318 TRP HE3 . 30118 1 1019 . 1 1 83 83 TRP HZ2 H 1 7.3036 0.010 . 1 . . . A 318 TRP HZ2 . 30118 1 1020 . 1 1 83 83 TRP HZ3 H 1 6.8303 0.010 . 1 . . . A 318 TRP HZ3 . 30118 1 1021 . 1 1 83 83 TRP HH2 H 1 7.0214 0.010 . 1 . . . A 318 TRP HH2 . 30118 1 1022 . 1 1 83 83 TRP C C 13 175.3266 0.100 . 1 . . . A 318 TRP C . 30118 1 1023 . 1 1 83 83 TRP CA C 13 57.4096 0.100 . 1 . . . A 318 TRP CA . 30118 1 1024 . 1 1 83 83 TRP CB C 13 31.1685 0.100 . 1 . . . A 318 TRP CB . 30118 1 1025 . 1 1 83 83 TRP CD1 C 13 126.7552 0.100 . 1 . . . A 318 TRP CD1 . 30118 1 1026 . 1 1 83 83 TRP CE3 C 13 120.0841 0.100 . 1 . . . A 318 TRP CE3 . 30118 1 1027 . 1 1 83 83 TRP CZ2 C 13 114.1440 0.100 . 1 . . . A 318 TRP CZ2 . 30118 1 1028 . 1 1 83 83 TRP CZ3 C 13 121.1269 0.100 . 1 . . . A 318 TRP CZ3 . 30118 1 1029 . 1 1 83 83 TRP CH2 C 13 124.3909 0.100 . 1 . . . A 318 TRP CH2 . 30118 1 1030 . 1 1 83 83 TRP N N 15 125.1583 0.040 . 1 . . . A 318 TRP N . 30118 1 1031 . 1 1 83 83 TRP NE1 N 15 129.2879 0.040 . 1 . . . A 318 TRP NE1 . 30118 1 1032 . 1 1 84 84 LEU H H 1 9.5271 0.010 . 1 . . . A 319 LEU H . 30118 1 1033 . 1 1 84 84 LEU HA H 1 5.4646 0.010 . 1 . . . A 319 LEU HA . 30118 1 1034 . 1 1 84 84 LEU HB2 H 1 1.0000 0.010 . 2 . . . A 319 LEU HB2 . 30118 1 1035 . 1 1 84 84 LEU HB3 H 1 1.2013 0.010 . 2 . . . A 319 LEU HB3 . 30118 1 1036 . 1 1 84 84 LEU HG H 1 1.4762 0.010 . 1 . . . A 319 LEU HG . 30118 1 1037 . 1 1 84 84 LEU HD11 H 1 0.8485 0.010 . 2 . . . A 319 LEU HD11 . 30118 1 1038 . 1 1 84 84 LEU HD12 H 1 0.8485 0.010 . 2 . . . A 319 LEU HD12 . 30118 1 1039 . 1 1 84 84 LEU HD13 H 1 0.8485 0.010 . 2 . . . A 319 LEU HD13 . 30118 1 1040 . 1 1 84 84 LEU HD21 H 1 0.9055 0.010 . 2 . . . A 319 LEU HD21 . 30118 1 1041 . 1 1 84 84 LEU HD22 H 1 0.9055 0.010 . 2 . . . A 319 LEU HD22 . 30118 1 1042 . 1 1 84 84 LEU HD23 H 1 0.9055 0.010 . 2 . . . A 319 LEU HD23 . 30118 1 1043 . 1 1 84 84 LEU CA C 13 53.7301 0.100 . 1 . . . A 319 LEU CA . 30118 1 1044 . 1 1 84 84 LEU CB C 13 47.3846 0.100 . 1 . . . A 319 LEU CB . 30118 1 1045 . 1 1 84 84 LEU CG C 13 27.6059 0.100 . 1 . . . A 319 LEU CG . 30118 1 1046 . 1 1 84 84 LEU CD1 C 13 27.1227 0.100 . 2 . . . A 319 LEU CD1 . 30118 1 1047 . 1 1 84 84 LEU CD2 C 13 28.2609 0.100 . 2 . . . A 319 LEU CD2 . 30118 1 1048 . 1 1 84 84 LEU N N 15 123.5589 0.040 . 1 . . . A 319 LEU N . 30118 1 1049 . 1 1 85 85 GLU H H 1 8.4245 0.010 . 1 . . . A 320 GLU H . 30118 1 1050 . 1 1 85 85 GLU HA H 1 4.7747 0.010 . 1 . . . A 320 GLU HA . 30118 1 1051 . 1 1 85 85 GLU HB2 H 1 2.0442 0.010 . 2 . . . A 320 GLU HB2 . 30118 1 1052 . 1 1 85 85 GLU HB3 H 1 1.9989 0.010 . 2 . . . A 320 GLU HB3 . 30118 1 1053 . 1 1 85 85 GLU HG2 H 1 2.1932 0.010 . 2 . . . A 320 GLU HG2 . 30118 1 1054 . 1 1 85 85 GLU HG3 H 1 2.1309 0.010 . 2 . . . A 320 GLU HG3 . 30118 1 1055 . 1 1 85 85 GLU C C 13 175.1649 0.100 . 1 . . . A 320 GLU C . 30118 1 1056 . 1 1 85 85 GLU CA C 13 56.7711 0.100 . 1 . . . A 320 GLU CA . 30118 1 1057 . 1 1 85 85 GLU CB C 13 33.9663 0.100 . 1 . . . A 320 GLU CB . 30118 1 1058 . 1 1 85 85 GLU CG C 13 37.1464 0.100 . 1 . . . A 320 GLU CG . 30118 1 1059 . 1 1 85 85 GLU N N 15 115.7766 0.040 . 1 . . . A 320 GLU N . 30118 1 1060 . 1 1 86 86 THR H H 1 9.2176 0.010 . 1 . . . A 321 THR H . 30118 1 1061 . 1 1 86 86 THR HA H 1 5.4518 0.010 . 1 . . . A 321 THR HA . 30118 1 1062 . 1 1 86 86 THR HB H 1 3.8811 0.010 . 1 . . . A 321 THR HB . 30118 1 1063 . 1 1 86 86 THR HG1 H 1 6.1304 0.010 . 1 . . . A 321 THR HG1 . 30118 1 1064 . 1 1 86 86 THR HG21 H 1 1.2065 0.010 . 1 . . . A 321 THR HG21 . 30118 1 1065 . 1 1 86 86 THR HG22 H 1 1.2065 0.010 . 1 . . . A 321 THR HG22 . 30118 1 1066 . 1 1 86 86 THR HG23 H 1 1.2065 0.010 . 1 . . . A 321 THR HG23 . 30118 1 1067 . 1 1 86 86 THR C C 13 172.9928 0.100 . 1 . . . A 321 THR C . 30118 1 1068 . 1 1 86 86 THR CA C 13 62.1780 0.100 . 1 . . . A 321 THR CA . 30118 1 1069 . 1 1 86 86 THR CB C 13 72.4051 0.100 . 1 . . . A 321 THR CB . 30118 1 1070 . 1 1 86 86 THR CG2 C 13 23.0730 0.100 . 1 . . . A 321 THR CG2 . 30118 1 1071 . 1 1 86 86 THR N N 15 121.6749 0.040 . 1 . . . A 321 THR N . 30118 1 1072 . 1 1 87 87 GLN H H 1 9.2020 0.010 . 1 . . . A 322 GLN H . 30118 1 1073 . 1 1 87 87 GLN HA H 1 5.1436 0.010 . 1 . . . A 322 GLN HA . 30118 1 1074 . 1 1 87 87 GLN HB2 H 1 2.1181 0.010 . 2 . . . A 322 GLN HB2 . 30118 1 1075 . 1 1 87 87 GLN HB3 H 1 2.2413 0.010 . 2 . . . A 322 GLN HB3 . 30118 1 1076 . 1 1 87 87 GLN HG2 H 1 2.4358 0.010 . 2 . . . A 322 GLN HG2 . 30118 1 1077 . 1 1 87 87 GLN HG3 H 1 2.4358 0.010 . 2 . . . A 322 GLN HG3 . 30118 1 1078 . 1 1 87 87 GLN C C 13 175.3400 0.100 . 1 . . . A 322 GLN C . 30118 1 1079 . 1 1 87 87 GLN CA C 13 54.9582 0.100 . 1 . . . A 322 GLN CA . 30118 1 1080 . 1 1 87 87 GLN CB C 13 30.5552 0.100 . 1 . . . A 322 GLN CB . 30118 1 1081 . 1 1 87 87 GLN CG C 13 33.9681 0.100 . 1 . . . A 322 GLN CG . 30118 1 1082 . 1 1 87 87 GLN N N 15 128.0847 0.040 . 1 . . . A 322 GLN N . 30118 1 1083 . 1 1 88 88 MET H H 1 9.2831 0.010 . 1 . . . A 323 MET H . 30118 1 1084 . 1 1 88 88 MET HA H 1 5.4998 0.010 . 1 . . . A 323 MET HA . 30118 1 1085 . 1 1 88 88 MET HB2 H 1 1.7822 0.010 . 2 . . . A 323 MET HB2 . 30118 1 1086 . 1 1 88 88 MET HB3 H 1 1.9618 0.010 . 2 . . . A 323 MET HB3 . 30118 1 1087 . 1 1 88 88 MET HG2 H 1 2.2717 0.010 . 2 . . . A 323 MET HG2 . 30118 1 1088 . 1 1 88 88 MET HG3 H 1 2.3513 0.010 . 2 . . . A 323 MET HG3 . 30118 1 1089 . 1 1 88 88 MET HE1 H 1 1.6841 0.010 . 1 . . . A 323 MET HE1 . 30118 1 1090 . 1 1 88 88 MET HE2 H 1 1.6841 0.010 . 1 . . . A 323 MET HE2 . 30118 1 1091 . 1 1 88 88 MET HE3 H 1 1.6841 0.010 . 1 . . . A 323 MET HE3 . 30118 1 1092 . 1 1 88 88 MET CA C 13 54.9219 0.100 . 1 . . . A 323 MET CA . 30118 1 1093 . 1 1 88 88 MET CB C 13 37.5334 0.100 . 1 . . . A 323 MET CB . 30118 1 1094 . 1 1 88 88 MET CG C 13 33.9091 0.100 . 1 . . . A 323 MET CG . 30118 1 1095 . 1 1 88 88 MET CE C 13 16.9581 0.100 . 1 . . . A 323 MET CE . 30118 1 1096 . 1 1 88 88 MET N N 15 125.2143 0.040 . 1 . . . A 323 MET N . 30118 1 1097 . 1 1 89 89 THR H H 1 8.8632 0.010 . 1 . . . A 324 THR H . 30118 1 1098 . 1 1 89 89 THR HA H 1 4.9040 0.010 . 1 . . . A 324 THR HA . 30118 1 1099 . 1 1 89 89 THR HB H 1 3.8967 0.010 . 1 . . . A 324 THR HB . 30118 1 1100 . 1 1 89 89 THR HG1 H 1 5.7848 0.010 . 1 . . . A 324 THR HG1 . 30118 1 1101 . 1 1 89 89 THR HG21 H 1 1.2475 0.010 . 1 . . . A 324 THR HG21 . 30118 1 1102 . 1 1 89 89 THR HG22 H 1 1.2475 0.010 . 1 . . . A 324 THR HG22 . 30118 1 1103 . 1 1 89 89 THR HG23 H 1 1.2475 0.010 . 1 . . . A 324 THR HG23 . 30118 1 1104 . 1 1 89 89 THR C C 13 173.0598 0.100 . 1 . . . A 324 THR C . 30118 1 1105 . 1 1 89 89 THR CA C 13 61.5966 0.100 . 1 . . . A 324 THR CA . 30118 1 1106 . 1 1 89 89 THR CB C 13 72.3588 0.100 . 1 . . . A 324 THR CB . 30118 1 1107 . 1 1 89 89 THR CG2 C 13 21.4999 0.100 . 1 . . . A 324 THR CG2 . 30118 1 1108 . 1 1 89 89 THR N N 15 116.7256 0.040 . 1 . . . A 324 THR N . 30118 1 1109 . 1 1 90 90 VAL H H 1 8.5853 0.010 . 1 . . . A 325 VAL H . 30118 1 1110 . 1 1 90 90 VAL HA H 1 4.1294 0.010 . 1 . . . A 325 VAL HA . 30118 1 1111 . 1 1 90 90 VAL HB H 1 1.9820 0.010 . 1 . . . A 325 VAL HB . 30118 1 1112 . 1 1 90 90 VAL HG11 H 1 0.3448 0.010 . 2 . . . A 325 VAL HG11 . 30118 1 1113 . 1 1 90 90 VAL HG12 H 1 0.3448 0.010 . 2 . . . A 325 VAL HG12 . 30118 1 1114 . 1 1 90 90 VAL HG13 H 1 0.3448 0.010 . 2 . . . A 325 VAL HG13 . 30118 1 1115 . 1 1 90 90 VAL HG21 H 1 0.8677 0.010 . 2 . . . A 325 VAL HG21 . 30118 1 1116 . 1 1 90 90 VAL HG22 H 1 0.8677 0.010 . 2 . . . A 325 VAL HG22 . 30118 1 1117 . 1 1 90 90 VAL HG23 H 1 0.8677 0.010 . 2 . . . A 325 VAL HG23 . 30118 1 1118 . 1 1 90 90 VAL C C 13 174.2034 0.100 . 1 . . . A 325 VAL C . 30118 1 1119 . 1 1 90 90 VAL CA C 13 63.3165 0.100 . 1 . . . A 325 VAL CA . 30118 1 1120 . 1 1 90 90 VAL CB C 13 32.6107 0.100 . 1 . . . A 325 VAL CB . 30118 1 1121 . 1 1 90 90 VAL CG1 C 13 21.7175 0.100 . 2 . . . A 325 VAL CG1 . 30118 1 1122 . 1 1 90 90 VAL CG2 C 13 22.9389 0.100 . 2 . . . A 325 VAL CG2 . 30118 1 1123 . 1 1 90 90 VAL N N 15 126.9281 0.040 . 1 . . . A 325 VAL N . 30118 1 1124 . 1 1 91 91 ILE H H 1 8.7217 0.010 . 1 . . . A 326 ILE H . 30118 1 1125 . 1 1 91 91 ILE HA H 1 4.3477 0.010 . 1 . . . A 326 ILE HA . 30118 1 1126 . 1 1 91 91 ILE HB H 1 2.1661 0.010 . 1 . . . A 326 ILE HB . 30118 1 1127 . 1 1 91 91 ILE HG12 H 1 1.1930 0.010 . 2 . . . A 326 ILE HG12 . 30118 1 1128 . 1 1 91 91 ILE HG13 H 1 1.4417 0.010 . 2 . . . A 326 ILE HG13 . 30118 1 1129 . 1 1 91 91 ILE HG21 H 1 0.8605 0.010 . 1 . . . A 326 ILE HG21 . 30118 1 1130 . 1 1 91 91 ILE HG22 H 1 0.8605 0.010 . 1 . . . A 326 ILE HG22 . 30118 1 1131 . 1 1 91 91 ILE HG23 H 1 0.8605 0.010 . 1 . . . A 326 ILE HG23 . 30118 1 1132 . 1 1 91 91 ILE HD11 H 1 0.6993 0.010 . 1 . . . A 326 ILE HD11 . 30118 1 1133 . 1 1 91 91 ILE HD12 H 1 0.6993 0.010 . 1 . . . A 326 ILE HD12 . 30118 1 1134 . 1 1 91 91 ILE HD13 H 1 0.6993 0.010 . 1 . . . A 326 ILE HD13 . 30118 1 1135 . 1 1 91 91 ILE C C 13 175.4406 0.100 . 1 . . . A 326 ILE C . 30118 1 1136 . 1 1 91 91 ILE CA C 13 58.3477 0.100 . 1 . . . A 326 ILE CA . 30118 1 1137 . 1 1 91 91 ILE CB C 13 36.8253 0.100 . 1 . . . A 326 ILE CB . 30118 1 1138 . 1 1 91 91 ILE CG1 C 13 27.4599 0.100 . 1 . . . A 326 ILE CG1 . 30118 1 1139 . 1 1 91 91 ILE CG2 C 13 17.4015 0.100 . 1 . . . A 326 ILE CG2 . 30118 1 1140 . 1 1 91 91 ILE CD1 C 13 10.3936 0.100 . 1 . . . A 326 ILE CD1 . 30118 1 1141 . 1 1 91 91 ILE N N 15 127.7436 0.040 . 1 . . . A 326 ILE N . 30118 1 1142 . 1 1 92 92 TYR H H 1 8.8951 0.010 . 1 . . . A 327 TYR H . 30118 1 1143 . 1 1 92 92 TYR HA H 1 4.3466 0.010 . 1 . . . A 327 TYR HA . 30118 1 1144 . 1 1 92 92 TYR HB2 H 1 2.4747 0.010 . 2 . . . A 327 TYR HB2 . 30118 1 1145 . 1 1 92 92 TYR HB3 H 1 2.6482 0.010 . 2 . . . A 327 TYR HB3 . 30118 1 1146 . 1 1 92 92 TYR HD1 H 1 6.9069 0.010 . 3 . . . A 327 TYR HD1 . 30118 1 1147 . 1 1 92 92 TYR HD2 H 1 6.9069 0.010 . 3 . . . A 327 TYR HD2 . 30118 1 1148 . 1 1 92 92 TYR HE1 H 1 6.8014 0.010 . 3 . . . A 327 TYR HE1 . 30118 1 1149 . 1 1 92 92 TYR HE2 H 1 6.8014 0.010 . 3 . . . A 327 TYR HE2 . 30118 1 1150 . 1 1 92 92 TYR C C 13 175.3788 0.100 . 1 . . . A 327 TYR C . 30118 1 1151 . 1 1 92 92 TYR CA C 13 57.3085 0.100 . 1 . . . A 327 TYR CA . 30118 1 1152 . 1 1 92 92 TYR CB C 13 40.4929 0.100 . 1 . . . A 327 TYR CB . 30118 1 1153 . 1 1 92 92 TYR CD1 C 13 132.8430 0.100 . 3 . . . A 327 TYR CD1 . 30118 1 1154 . 1 1 92 92 TYR CD2 C 13 132.8430 0.100 . 3 . . . A 327 TYR CD2 . 30118 1 1155 . 1 1 92 92 TYR CE1 C 13 118.1760 0.100 . 3 . . . A 327 TYR CE1 . 30118 1 1156 . 1 1 92 92 TYR CE2 C 13 118.1760 0.100 . 3 . . . A 327 TYR CE2 . 30118 1 1157 . 1 1 92 92 TYR N N 15 126.2704 0.040 . 1 . . . A 327 TYR N . 30118 1 1158 . 1 1 93 93 ASN H H 1 8.8949 0.010 . 1 . . . A 328 ASN H . 30118 1 1159 . 1 1 93 93 ASN HA H 1 4.6906 0.010 . 1 . . . A 328 ASN HA . 30118 1 1160 . 1 1 93 93 ASN HB2 H 1 2.7621 0.010 . 2 . . . A 328 ASN HB2 . 30118 1 1161 . 1 1 93 93 ASN HB3 H 1 3.5726 0.010 . 2 . . . A 328 ASN HB3 . 30118 1 1162 . 1 1 93 93 ASN HD21 H 1 7.6404 0.010 . 2 . . . A 328 ASN HD21 . 30118 1 1163 . 1 1 93 93 ASN HD22 H 1 7.0883 0.010 . 2 . . . A 328 ASN HD22 . 30118 1 1164 . 1 1 93 93 ASN CA C 13 51.5441 0.100 . 1 . . . A 328 ASN CA . 30118 1 1165 . 1 1 93 93 ASN CB C 13 39.3925 0.100 . 1 . . . A 328 ASN CB . 30118 1 1166 . 1 1 93 93 ASN N N 15 123.0433 0.040 . 1 . . . A 328 ASN N . 30118 1 1167 . 1 1 93 93 ASN ND2 N 15 113.8699 0.040 . 1 . . . A 328 ASN ND2 . 30118 1 1168 . 1 1 94 94 PRO HA H 1 4.3164 0.010 . 1 . . . A 329 PRO HA . 30118 1 1169 . 1 1 94 94 PRO HB2 H 1 2.2160 0.010 . 2 . . . A 329 PRO HB2 . 30118 1 1170 . 1 1 94 94 PRO HB3 H 1 2.2160 0.010 . 2 . . . A 329 PRO HB3 . 30118 1 1171 . 1 1 94 94 PRO C C 13 177.1711 0.100 . 1 . . . A 329 PRO C . 30118 1 1172 . 1 1 94 94 PRO CA C 13 64.2056 0.100 . 1 . . . A 329 PRO CA . 30118 1 1173 . 1 1 94 94 PRO CB C 13 32.1510 0.100 . 1 . . . A 329 PRO CB . 30118 1 1174 . 1 1 95 95 ARG H H 1 8.2401 0.010 . 1 . . . A 330 ARG H . 30118 1 1175 . 1 1 95 95 ARG HA H 1 4.2186 0.010 . 1 . . . A 330 ARG HA . 30118 1 1176 . 1 1 95 95 ARG HB2 H 1 1.7786 0.010 . 2 . . . A 330 ARG HB2 . 30118 1 1177 . 1 1 95 95 ARG HB3 H 1 1.7786 0.010 . 2 . . . A 330 ARG HB3 . 30118 1 1178 . 1 1 95 95 ARG HG2 H 1 1.5423 0.010 . 2 . . . A 330 ARG HG2 . 30118 1 1179 . 1 1 95 95 ARG HG3 H 1 1.5981 0.010 . 2 . . . A 330 ARG HG3 . 30118 1 1180 . 1 1 95 95 ARG HD2 H 1 3.1641 0.010 . 2 . . . A 330 ARG HD2 . 30118 1 1181 . 1 1 95 95 ARG HD3 H 1 3.1641 0.010 . 2 . . . A 330 ARG HD3 . 30118 1 1182 . 1 1 95 95 ARG C C 13 176.9976 0.100 . 1 . . . A 330 ARG C . 30118 1 1183 . 1 1 95 95 ARG CA C 13 57.4931 0.100 . 1 . . . A 330 ARG CA . 30118 1 1184 . 1 1 95 95 ARG CB C 13 30.3625 0.100 . 1 . . . A 330 ARG CB . 30118 1 1185 . 1 1 95 95 ARG CG C 13 27.4875 0.100 . 1 . . . A 330 ARG CG . 30118 1 1186 . 1 1 95 95 ARG CD C 13 43.0299 0.100 . 1 . . . A 330 ARG CD . 30118 1 1187 . 1 1 95 95 ARG N N 15 115.9431 0.040 . 1 . . . A 330 ARG N . 30118 1 1188 . 1 1 96 96 ASN H H 1 7.2201 0.010 . 1 . . . A 331 ASN H . 30118 1 1189 . 1 1 96 96 ASN HA H 1 4.7572 0.010 . 1 . . . A 331 ASN HA . 30118 1 1190 . 1 1 96 96 ASN HB2 H 1 2.6273 0.010 . 2 . . . A 331 ASN HB2 . 30118 1 1191 . 1 1 96 96 ASN HB3 H 1 3.1592 0.010 . 2 . . . A 331 ASN HB3 . 30118 1 1192 . 1 1 96 96 ASN HD21 H 1 7.3804 0.010 . 2 . . . A 331 ASN HD21 . 30118 1 1193 . 1 1 96 96 ASN HD22 H 1 6.6547 0.010 . 2 . . . A 331 ASN HD22 . 30118 1 1194 . 1 1 96 96 ASN C C 13 175.2806 0.100 . 1 . . . A 331 ASN C . 30118 1 1195 . 1 1 96 96 ASN CA C 13 51.9789 0.100 . 1 . . . A 331 ASN CA . 30118 1 1196 . 1 1 96 96 ASN CB C 13 39.0109 0.100 . 1 . . . A 331 ASN CB . 30118 1 1197 . 1 1 96 96 ASN N N 15 112.9707 0.040 . 1 . . . A 331 ASN N . 30118 1 1198 . 1 1 96 96 ASN ND2 N 15 109.3204 0.040 . 1 . . . A 331 ASN ND2 . 30118 1 1199 . 1 1 97 97 LEU H H 1 8.3850 0.010 . 1 . . . A 332 LEU H . 30118 1 1200 . 1 1 97 97 LEU HA H 1 3.9854 0.010 . 1 . . . A 332 LEU HA . 30118 1 1201 . 1 1 97 97 LEU HB2 H 1 1.6160 0.010 . 2 . . . A 332 LEU HB2 . 30118 1 1202 . 1 1 97 97 LEU HB3 H 1 1.9326 0.010 . 2 . . . A 332 LEU HB3 . 30118 1 1203 . 1 1 97 97 LEU HG H 1 1.4102 0.010 . 1 . . . A 332 LEU HG . 30118 1 1204 . 1 1 97 97 LEU HD11 H 1 0.7114 0.010 . 2 . . . A 332 LEU HD11 . 30118 1 1205 . 1 1 97 97 LEU HD12 H 1 0.7114 0.010 . 2 . . . A 332 LEU HD12 . 30118 1 1206 . 1 1 97 97 LEU HD13 H 1 0.7114 0.010 . 2 . . . A 332 LEU HD13 . 30118 1 1207 . 1 1 97 97 LEU HD21 H 1 0.7871 0.010 . 2 . . . A 332 LEU HD21 . 30118 1 1208 . 1 1 97 97 LEU HD22 H 1 0.7871 0.010 . 2 . . . A 332 LEU HD22 . 30118 1 1209 . 1 1 97 97 LEU HD23 H 1 0.7871 0.010 . 2 . . . A 332 LEU HD23 . 30118 1 1210 . 1 1 97 97 LEU C C 13 175.9704 0.100 . 1 . . . A 332 LEU C . 30118 1 1211 . 1 1 97 97 LEU CA C 13 56.5830 0.100 . 1 . . . A 332 LEU CA . 30118 1 1212 . 1 1 97 97 LEU CB C 13 38.6668 0.100 . 1 . . . A 332 LEU CB . 30118 1 1213 . 1 1 97 97 LEU CG C 13 27.4228 0.100 . 1 . . . A 332 LEU CG . 30118 1 1214 . 1 1 97 97 LEU CD1 C 13 22.7859 0.100 . 2 . . . A 332 LEU CD1 . 30118 1 1215 . 1 1 97 97 LEU CD2 C 13 24.9473 0.100 . 2 . . . A 332 LEU CD2 . 30118 1 1216 . 1 1 97 97 LEU N N 15 116.3688 0.040 . 1 . . . A 332 LEU N . 30118 1 1217 . 1 1 98 98 GLN H H 1 8.1439 0.010 . 1 . . . A 333 GLN H . 30118 1 1218 . 1 1 98 98 GLN HA H 1 4.7498 0.010 . 1 . . . A 333 GLN HA . 30118 1 1219 . 1 1 98 98 GLN HB2 H 1 1.9330 0.010 . 2 . . . A 333 GLN HB2 . 30118 1 1220 . 1 1 98 98 GLN HB3 H 1 2.0634 0.010 . 2 . . . A 333 GLN HB3 . 30118 1 1221 . 1 1 98 98 GLN HG2 H 1 2.3229 0.010 . 2 . . . A 333 GLN HG2 . 30118 1 1222 . 1 1 98 98 GLN HG3 H 1 2.3229 0.010 . 2 . . . A 333 GLN HG3 . 30118 1 1223 . 1 1 98 98 GLN HE21 H 1 7.4452 0.010 . 2 . . . A 333 GLN HE21 . 30118 1 1224 . 1 1 98 98 GLN HE22 H 1 6.9020 0.010 . 2 . . . A 333 GLN HE22 . 30118 1 1225 . 1 1 98 98 GLN CA C 13 53.6910 0.100 . 1 . . . A 333 GLN CA . 30118 1 1226 . 1 1 98 98 GLN CB C 13 28.3552 0.100 . 1 . . . A 333 GLN CB . 30118 1 1227 . 1 1 98 98 GLN CG C 13 33.0772 0.100 . 1 . . . A 333 GLN CG . 30118 1 1228 . 1 1 98 98 GLN N N 15 117.9080 0.040 . 1 . . . A 333 GLN N . 30118 1 1229 . 1 1 98 98 GLN NE2 N 15 112.5606 0.040 . 1 . . . A 333 GLN NE2 . 30118 1 1230 . 1 1 99 99 PRO HA H 1 3.9701 0.010 . 1 . . . A 334 PRO HA . 30118 1 1231 . 1 1 99 99 PRO HB2 H 1 1.9223 0.010 . 2 . . . A 334 PRO HB2 . 30118 1 1232 . 1 1 99 99 PRO HB3 H 1 1.9769 0.010 . 2 . . . A 334 PRO HB3 . 30118 1 1233 . 1 1 99 99 PRO HG2 H 1 2.0888 0.010 . 2 . . . A 334 PRO HG2 . 30118 1 1234 . 1 1 99 99 PRO HG3 H 1 2.2663 0.010 . 2 . . . A 334 PRO HG3 . 30118 1 1235 . 1 1 99 99 PRO HD2 H 1 3.8211 0.010 . 2 . . . A 334 PRO HD2 . 30118 1 1236 . 1 1 99 99 PRO HD3 H 1 4.0426 0.010 . 2 . . . A 334 PRO HD3 . 30118 1 1237 . 1 1 99 99 PRO C C 13 176.0432 0.100 . 1 . . . A 334 PRO C . 30118 1 1238 . 1 1 99 99 PRO CA C 13 64.1187 0.100 . 1 . . . A 334 PRO CA . 30118 1 1239 . 1 1 99 99 PRO CB C 13 32.0381 0.100 . 1 . . . A 334 PRO CB . 30118 1 1240 . 1 1 99 99 PRO CG C 13 27.9616 0.100 . 1 . . . A 334 PRO CG . 30118 1 1241 . 1 1 99 99 PRO CD C 13 50.8715 0.100 . 1 . . . A 334 PRO CD . 30118 1 1242 . 1 1 100 100 GLN H H 1 9.5459 0.010 . 1 . . . A 335 GLN H . 30118 1 1243 . 1 1 100 100 GLN HA H 1 4.5223 0.010 . 1 . . . A 335 GLN HA . 30118 1 1244 . 1 1 100 100 GLN HB2 H 1 1.9228 0.010 . 2 . . . A 335 GLN HB2 . 30118 1 1245 . 1 1 100 100 GLN HB3 H 1 1.9622 0.010 . 2 . . . A 335 GLN HB3 . 30118 1 1246 . 1 1 100 100 GLN HG2 H 1 2.2551 0.010 . 2 . . . A 335 GLN HG2 . 30118 1 1247 . 1 1 100 100 GLN HG3 H 1 2.3398 0.010 . 2 . . . A 335 GLN HG3 . 30118 1 1248 . 1 1 100 100 GLN HE21 H 1 7.2030 0.010 . 2 . . . A 335 GLN HE21 . 30118 1 1249 . 1 1 100 100 GLN HE22 H 1 6.9716 0.010 . 2 . . . A 335 GLN HE22 . 30118 1 1250 . 1 1 100 100 GLN C C 13 175.3872 0.100 . 1 . . . A 335 GLN C . 30118 1 1251 . 1 1 100 100 GLN CA C 13 56.9383 0.100 . 1 . . . A 335 GLN CA . 30118 1 1252 . 1 1 100 100 GLN CB C 13 32.2587 0.100 . 1 . . . A 335 GLN CB . 30118 1 1253 . 1 1 100 100 GLN CG C 13 34.1033 0.100 . 1 . . . A 335 GLN CG . 30118 1 1254 . 1 1 100 100 GLN N N 15 122.9531 0.040 . 1 . . . A 335 GLN N . 30118 1 1255 . 1 1 100 100 GLN NE2 N 15 111.9919 0.040 . 1 . . . A 335 GLN NE2 . 30118 1 1256 . 1 1 101 101 CYS H H 1 7.8864 0.010 . 1 . . . A 336 CYS H . 30118 1 1257 . 1 1 101 101 CYS HA H 1 4.7095 0.010 . 1 . . . A 336 CYS HA . 30118 1 1258 . 1 1 101 101 CYS HB2 H 1 3.2354 0.010 . 2 . . . A 336 CYS HB2 . 30118 1 1259 . 1 1 101 101 CYS HB3 H 1 3.1565 0.010 . 2 . . . A 336 CYS HB3 . 30118 1 1260 . 1 1 101 101 CYS C C 13 170.4687 0.100 . 1 . . . A 336 CYS C . 30118 1 1261 . 1 1 101 101 CYS CA C 13 56.5320 0.100 . 1 . . . A 336 CYS CA . 30118 1 1262 . 1 1 101 101 CYS CB C 13 29.3383 0.100 . 1 . . . A 336 CYS CB . 30118 1 1263 . 1 1 101 101 CYS N N 15 112.2317 0.040 . 1 . . . A 336 CYS N . 30118 1 1264 . 1 1 102 102 ILE H H 1 9.0044 0.010 . 1 . . . A 337 ILE H . 30118 1 1265 . 1 1 102 102 ILE HA H 1 4.7407 0.010 . 1 . . . A 337 ILE HA . 30118 1 1266 . 1 1 102 102 ILE HB H 1 1.7811 0.010 . 1 . . . A 337 ILE HB . 30118 1 1267 . 1 1 102 102 ILE HG12 H 1 0.8758 0.010 . 2 . . . A 337 ILE HG12 . 30118 1 1268 . 1 1 102 102 ILE HG13 H 1 0.8758 0.010 . 2 . . . A 337 ILE HG13 . 30118 1 1269 . 1 1 102 102 ILE HG21 H 1 0.8582 0.010 . 1 . . . A 337 ILE HG21 . 30118 1 1270 . 1 1 102 102 ILE HG22 H 1 0.8582 0.010 . 1 . . . A 337 ILE HG22 . 30118 1 1271 . 1 1 102 102 ILE HG23 H 1 0.8582 0.010 . 1 . . . A 337 ILE HG23 . 30118 1 1272 . 1 1 102 102 ILE HD11 H 1 0.8881 0.010 . 1 . . . A 337 ILE HD11 . 30118 1 1273 . 1 1 102 102 ILE HD12 H 1 0.8881 0.010 . 1 . . . A 337 ILE HD12 . 30118 1 1274 . 1 1 102 102 ILE HD13 H 1 0.8881 0.010 . 1 . . . A 337 ILE HD13 . 30118 1 1275 . 1 1 102 102 ILE C C 13 175.5269 0.100 . 1 . . . A 337 ILE C . 30118 1 1276 . 1 1 102 102 ILE CA C 13 60.2412 0.100 . 1 . . . A 337 ILE CA . 30118 1 1277 . 1 1 102 102 ILE CB C 13 41.8414 0.100 . 1 . . . A 337 ILE CB . 30118 1 1278 . 1 1 102 102 ILE CG1 C 13 25.1959 0.100 . 1 . . . A 337 ILE CG1 . 30118 1 1279 . 1 1 102 102 ILE CG2 C 13 18.6341 0.100 . 1 . . . A 337 ILE CG2 . 30118 1 1280 . 1 1 102 102 ILE CD1 C 13 15.0053 0.100 . 1 . . . A 337 ILE CD1 . 30118 1 1281 . 1 1 102 102 ILE N N 15 119.4658 0.040 . 1 . . . A 337 ILE N . 30118 1 1282 . 1 1 103 103 MET H H 1 9.1796 0.010 . 1 . . . A 338 MET H . 30118 1 1283 . 1 1 103 103 MET HA H 1 5.0030 0.010 . 1 . . . A 338 MET HA . 30118 1 1284 . 1 1 103 103 MET HB2 H 1 1.8860 0.010 . 2 . . . A 338 MET HB2 . 30118 1 1285 . 1 1 103 103 MET HB3 H 1 2.1407 0.010 . 2 . . . A 338 MET HB3 . 30118 1 1286 . 1 1 103 103 MET HG2 H 1 2.5216 0.010 . 2 . . . A 338 MET HG2 . 30118 1 1287 . 1 1 103 103 MET HG3 H 1 2.5216 0.010 . 2 . . . A 338 MET HG3 . 30118 1 1288 . 1 1 103 103 MET HE1 H 1 2.0037 0.010 . 1 . . . A 338 MET HE1 . 30118 1 1289 . 1 1 103 103 MET HE2 H 1 2.0037 0.010 . 1 . . . A 338 MET HE2 . 30118 1 1290 . 1 1 103 103 MET HE3 H 1 2.0037 0.010 . 1 . . . A 338 MET HE3 . 30118 1 1291 . 1 1 103 103 MET C C 13 174.3465 0.100 . 1 . . . A 338 MET C . 30118 1 1292 . 1 1 103 103 MET CA C 13 54.3781 0.100 . 1 . . . A 338 MET CA . 30118 1 1293 . 1 1 103 103 MET CB C 13 34.4597 0.100 . 1 . . . A 338 MET CB . 30118 1 1294 . 1 1 103 103 MET CG C 13 32.6490 0.100 . 1 . . . A 338 MET CG . 30118 1 1295 . 1 1 103 103 MET CE C 13 17.3957 0.100 . 1 . . . A 338 MET CE . 30118 1 1296 . 1 1 103 103 MET N N 15 126.4049 0.040 . 1 . . . A 338 MET N . 30118 1 1297 . 1 1 104 104 ALA H H 1 9.2138 0.010 . 1 . . . A 339 ALA H . 30118 1 1298 . 1 1 104 104 ALA HA H 1 5.5964 0.010 . 1 . . . A 339 ALA HA . 30118 1 1299 . 1 1 104 104 ALA HB1 H 1 1.3973 0.010 . 1 . . . A 339 ALA HB1 . 30118 1 1300 . 1 1 104 104 ALA HB2 H 1 1.3973 0.010 . 1 . . . A 339 ALA HB2 . 30118 1 1301 . 1 1 104 104 ALA HB3 H 1 1.3973 0.010 . 1 . . . A 339 ALA HB3 . 30118 1 1302 . 1 1 104 104 ALA C C 13 174.9158 0.100 . 1 . . . A 339 ALA C . 30118 1 1303 . 1 1 104 104 ALA CA C 13 50.5931 0.100 . 1 . . . A 339 ALA CA . 30118 1 1304 . 1 1 104 104 ALA CB C 13 22.5595 0.100 . 1 . . . A 339 ALA CB . 30118 1 1305 . 1 1 104 104 ALA N N 15 128.6429 0.040 . 1 . . . A 339 ALA N . 30118 1 1306 . 1 1 105 105 VAL H H 1 8.7091 0.010 . 1 . . . A 340 VAL H . 30118 1 1307 . 1 1 105 105 VAL HA H 1 4.0353 0.010 . 1 . . . A 340 VAL HA . 30118 1 1308 . 1 1 105 105 VAL HB H 1 1.9090 0.010 . 1 . . . A 340 VAL HB . 30118 1 1309 . 1 1 105 105 VAL HG11 H 1 0.5990 0.010 . 2 . . . A 340 VAL HG11 . 30118 1 1310 . 1 1 105 105 VAL HG12 H 1 0.5990 0.010 . 2 . . . A 340 VAL HG12 . 30118 1 1311 . 1 1 105 105 VAL HG13 H 1 0.5990 0.010 . 2 . . . A 340 VAL HG13 . 30118 1 1312 . 1 1 105 105 VAL HG21 H 1 0.8600 0.010 . 2 . . . A 340 VAL HG21 . 30118 1 1313 . 1 1 105 105 VAL HG22 H 1 0.8600 0.010 . 2 . . . A 340 VAL HG22 . 30118 1 1314 . 1 1 105 105 VAL HG23 H 1 0.8600 0.010 . 2 . . . A 340 VAL HG23 . 30118 1 1315 . 1 1 105 105 VAL C C 13 173.9679 0.100 . 1 . . . A 340 VAL C . 30118 1 1316 . 1 1 105 105 VAL CA C 13 62.3662 0.100 . 1 . . . A 340 VAL CA . 30118 1 1317 . 1 1 105 105 VAL CB C 13 33.1822 0.100 . 1 . . . A 340 VAL CB . 30118 1 1318 . 1 1 105 105 VAL CG1 C 13 21.0900 0.100 . 2 . . . A 340 VAL CG1 . 30118 1 1319 . 1 1 105 105 VAL CG2 C 13 20.9720 0.100 . 2 . . . A 340 VAL CG2 . 30118 1 1320 . 1 1 105 105 VAL N N 15 122.5146 0.040 . 1 . . . A 340 VAL N . 30118 1 1321 . 1 1 106 106 ASN H H 1 7.8839 0.010 . 1 . . . A 341 ASN H . 30118 1 1322 . 1 1 106 106 ASN HA H 1 5.1688 0.010 . 1 . . . A 341 ASN HA . 30118 1 1323 . 1 1 106 106 ASN HB2 H 1 1.4763 0.010 . 2 . . . A 341 ASN HB2 . 30118 1 1324 . 1 1 106 106 ASN HB3 H 1 1.2784 0.010 . 2 . . . A 341 ASN HB3 . 30118 1 1325 . 1 1 106 106 ASN HD21 H 1 6.7092 0.010 . 2 . . . A 341 ASN HD21 . 30118 1 1326 . 1 1 106 106 ASN HD22 H 1 6.3487 0.010 . 2 . . . A 341 ASN HD22 . 30118 1 1327 . 1 1 106 106 ASN C C 13 172.0515 0.100 . 1 . . . A 341 ASN C . 30118 1 1328 . 1 1 106 106 ASN CA C 13 51.9520 0.100 . 1 . . . A 341 ASN CA . 30118 1 1329 . 1 1 106 106 ASN CB C 13 41.6309 0.100 . 1 . . . A 341 ASN CB . 30118 1 1330 . 1 1 106 106 ASN N N 15 124.3526 0.040 . 1 . . . A 341 ASN N . 30118 1 1331 . 1 1 106 106 ASN ND2 N 15 118.0648 0.040 . 1 . . . A 341 ASN ND2 . 30118 1 1332 . 1 1 107 107 TYR H H 1 9.3977 0.010 . 1 . . . A 342 TYR H . 30118 1 1333 . 1 1 107 107 TYR HA H 1 4.8682 0.010 . 1 . . . A 342 TYR HA . 30118 1 1334 . 1 1 107 107 TYR HB2 H 1 2.8543 0.010 . 2 . . . A 342 TYR HB2 . 30118 1 1335 . 1 1 107 107 TYR HB3 H 1 2.8543 0.010 . 2 . . . A 342 TYR HB3 . 30118 1 1336 . 1 1 107 107 TYR HD1 H 1 7.0028 0.010 . 3 . . . A 342 TYR HD1 . 30118 1 1337 . 1 1 107 107 TYR HD2 H 1 7.0028 0.010 . 3 . . . A 342 TYR HD2 . 30118 1 1338 . 1 1 107 107 TYR HE1 H 1 6.6300 0.010 . 3 . . . A 342 TYR HE1 . 30118 1 1339 . 1 1 107 107 TYR HE2 H 1 6.6300 0.010 . 3 . . . A 342 TYR HE2 . 30118 1 1340 . 1 1 107 107 TYR C C 13 174.7568 0.100 . 1 . . . A 342 TYR C . 30118 1 1341 . 1 1 107 107 TYR CA C 13 56.5959 0.100 . 1 . . . A 342 TYR CA . 30118 1 1342 . 1 1 107 107 TYR CB C 13 39.7182 0.100 . 1 . . . A 342 TYR CB . 30118 1 1343 . 1 1 107 107 TYR CD1 C 13 133.2103 0.100 . 3 . . . A 342 TYR CD1 . 30118 1 1344 . 1 1 107 107 TYR CD2 C 13 133.2103 0.100 . 3 . . . A 342 TYR CD2 . 30118 1 1345 . 1 1 107 107 TYR CE1 C 13 117.9544 0.100 . 3 . . . A 342 TYR CE1 . 30118 1 1346 . 1 1 107 107 TYR CE2 C 13 117.9544 0.100 . 3 . . . A 342 TYR CE2 . 30118 1 1347 . 1 1 107 107 TYR N N 15 122.7137 0.040 . 1 . . . A 342 TYR N . 30118 1 1348 . 1 1 108 108 VAL H H 1 8.7575 0.010 . 1 . . . A 343 VAL H . 30118 1 1349 . 1 1 108 108 VAL HA H 1 4.3076 0.010 . 1 . . . A 343 VAL HA . 30118 1 1350 . 1 1 108 108 VAL HB H 1 2.2186 0.010 . 1 . . . A 343 VAL HB . 30118 1 1351 . 1 1 108 108 VAL HG11 H 1 1.1186 0.010 . 2 . . . A 343 VAL HG11 . 30118 1 1352 . 1 1 108 108 VAL HG12 H 1 1.1186 0.010 . 2 . . . A 343 VAL HG12 . 30118 1 1353 . 1 1 108 108 VAL HG13 H 1 1.1186 0.010 . 2 . . . A 343 VAL HG13 . 30118 1 1354 . 1 1 108 108 VAL HG21 H 1 1.2030 0.010 . 2 . . . A 343 VAL HG21 . 30118 1 1355 . 1 1 108 108 VAL HG22 H 1 1.2030 0.010 . 2 . . . A 343 VAL HG22 . 30118 1 1356 . 1 1 108 108 VAL HG23 H 1 1.2030 0.010 . 2 . . . A 343 VAL HG23 . 30118 1 1357 . 1 1 108 108 VAL C C 13 176.5381 0.100 . 1 . . . A 343 VAL C . 30118 1 1358 . 1 1 108 108 VAL CA C 13 63.4631 0.100 . 1 . . . A 343 VAL CA . 30118 1 1359 . 1 1 108 108 VAL CB C 13 31.6879 0.100 . 1 . . . A 343 VAL CB . 30118 1 1360 . 1 1 108 108 VAL CG1 C 13 22.8601 0.100 . 2 . . . A 343 VAL CG1 . 30118 1 1361 . 1 1 108 108 VAL CG2 C 13 22.3970 0.100 . 2 . . . A 343 VAL CG2 . 30118 1 1362 . 1 1 108 108 VAL N N 15 123.5603 0.040 . 1 . . . A 343 VAL N . 30118 1 1363 . 1 1 109 109 LEU H H 1 9.0775 0.010 . 1 . . . A 344 LEU H . 30118 1 1364 . 1 1 109 109 LEU HA H 1 4.4959 0.010 . 1 . . . A 344 LEU HA . 30118 1 1365 . 1 1 109 109 LEU HB2 H 1 1.5595 0.010 . 2 . . . A 344 LEU HB2 . 30118 1 1366 . 1 1 109 109 LEU HB3 H 1 1.5595 0.010 . 2 . . . A 344 LEU HB3 . 30118 1 1367 . 1 1 109 109 LEU HG H 1 1.7261 0.010 . 1 . . . A 344 LEU HG . 30118 1 1368 . 1 1 109 109 LEU HD11 H 1 0.7332 0.010 . 2 . . . A 344 LEU HD11 . 30118 1 1369 . 1 1 109 109 LEU HD12 H 1 0.7332 0.010 . 2 . . . A 344 LEU HD12 . 30118 1 1370 . 1 1 109 109 LEU HD13 H 1 0.7332 0.010 . 2 . . . A 344 LEU HD13 . 30118 1 1371 . 1 1 109 109 LEU HD21 H 1 0.7955 0.010 . 2 . . . A 344 LEU HD21 . 30118 1 1372 . 1 1 109 109 LEU HD22 H 1 0.7955 0.010 . 2 . . . A 344 LEU HD22 . 30118 1 1373 . 1 1 109 109 LEU HD23 H 1 0.7955 0.010 . 2 . . . A 344 LEU HD23 . 30118 1 1374 . 1 1 109 109 LEU C C 13 176.8790 0.100 . 1 . . . A 344 LEU C . 30118 1 1375 . 1 1 109 109 LEU CA C 13 54.9320 0.100 . 1 . . . A 344 LEU CA . 30118 1 1376 . 1 1 109 109 LEU CB C 13 42.9955 0.100 . 1 . . . A 344 LEU CB . 30118 1 1377 . 1 1 109 109 LEU CG C 13 26.8940 0.100 . 1 . . . A 344 LEU CG . 30118 1 1378 . 1 1 109 109 LEU CD1 C 13 22.5430 0.100 . 2 . . . A 344 LEU CD1 . 30118 1 1379 . 1 1 109 109 LEU CD2 C 13 25.9065 0.100 . 2 . . . A 344 LEU CD2 . 30118 1 1380 . 1 1 109 109 LEU N N 15 127.5673 0.040 . 1 . . . A 344 LEU N . 30118 1 1381 . 1 1 110 110 SER H H 1 7.8979 0.010 . 1 . . . A 345 SER H . 30118 1 1382 . 1 1 110 110 SER HA H 1 4.8225 0.010 . 1 . . . A 345 SER HA . 30118 1 1383 . 1 1 110 110 SER HB2 H 1 3.9381 0.010 . 2 . . . A 345 SER HB2 . 30118 1 1384 . 1 1 110 110 SER HB3 H 1 4.4062 0.010 . 2 . . . A 345 SER HB3 . 30118 1 1385 . 1 1 110 110 SER C C 13 173.6105 0.100 . 1 . . . A 345 SER C . 30118 1 1386 . 1 1 110 110 SER CA C 13 58.0207 0.100 . 1 . . . A 345 SER CA . 30118 1 1387 . 1 1 110 110 SER CB C 13 66.8690 0.100 . 1 . . . A 345 SER CB . 30118 1 1388 . 1 1 110 110 SER N N 15 114.3543 0.040 . 1 . . . A 345 SER N . 30118 1 1389 . 1 1 111 111 GLU H H 1 8.3521 0.010 . 1 . . . A 346 GLU H . 30118 1 1390 . 1 1 111 111 GLU HA H 1 4.5205 0.010 . 1 . . . A 346 GLU HA . 30118 1 1391 . 1 1 111 111 GLU HB2 H 1 1.9178 0.010 . 2 . . . A 346 GLU HB2 . 30118 1 1392 . 1 1 111 111 GLU HB3 H 1 2.2134 0.010 . 2 . . . A 346 GLU HB3 . 30118 1 1393 . 1 1 111 111 GLU HG2 H 1 2.3051 0.010 . 2 . . . A 346 GLU HG2 . 30118 1 1394 . 1 1 111 111 GLU HG3 H 1 2.3629 0.010 . 2 . . . A 346 GLU HG3 . 30118 1 1395 . 1 1 111 111 GLU C C 13 176.5417 0.100 . 1 . . . A 346 GLU C . 30118 1 1396 . 1 1 111 111 GLU CA C 13 55.8159 0.100 . 1 . . . A 346 GLU CA . 30118 1 1397 . 1 1 111 111 GLU CB C 13 30.5113 0.100 . 1 . . . A 346 GLU CB . 30118 1 1398 . 1 1 111 111 GLU CG C 13 36.5329 0.100 . 1 . . . A 346 GLU CG . 30118 1 1399 . 1 1 111 111 GLU N N 15 117.8170 0.040 . 1 . . . A 346 GLU N . 30118 1 1400 . 1 1 112 112 ILE H H 1 8.3520 0.010 . 1 . . . A 347 ILE H . 30118 1 1401 . 1 1 112 112 ILE HA H 1 4.0302 0.010 . 1 . . . A 347 ILE HA . 30118 1 1402 . 1 1 112 112 ILE HB H 1 1.6480 0.010 . 1 . . . A 347 ILE HB . 30118 1 1403 . 1 1 112 112 ILE HG12 H 1 0.8677 0.010 . 2 . . . A 347 ILE HG12 . 30118 1 1404 . 1 1 112 112 ILE HG13 H 1 1.5246 0.010 . 2 . . . A 347 ILE HG13 . 30118 1 1405 . 1 1 112 112 ILE HG21 H 1 0.7148 0.010 . 1 . . . A 347 ILE HG21 . 30118 1 1406 . 1 1 112 112 ILE HG22 H 1 0.7148 0.010 . 1 . . . A 347 ILE HG22 . 30118 1 1407 . 1 1 112 112 ILE HG23 H 1 0.7148 0.010 . 1 . . . A 347 ILE HG23 . 30118 1 1408 . 1 1 112 112 ILE HD11 H 1 0.7536 0.010 . 1 . . . A 347 ILE HD11 . 30118 1 1409 . 1 1 112 112 ILE HD12 H 1 0.7536 0.010 . 1 . . . A 347 ILE HD12 . 30118 1 1410 . 1 1 112 112 ILE HD13 H 1 0.7536 0.010 . 1 . . . A 347 ILE HD13 . 30118 1 1411 . 1 1 112 112 ILE C C 13 176.2265 0.100 . 1 . . . A 347 ILE C . 30118 1 1412 . 1 1 112 112 ILE CA C 13 62.5638 0.100 . 1 . . . A 347 ILE CA . 30118 1 1413 . 1 1 112 112 ILE CB C 13 38.1431 0.100 . 1 . . . A 347 ILE CB . 30118 1 1414 . 1 1 112 112 ILE CG1 C 13 28.5528 0.100 . 1 . . . A 347 ILE CG1 . 30118 1 1415 . 1 1 112 112 ILE CG2 C 13 17.7669 0.100 . 1 . . . A 347 ILE CG2 . 30118 1 1416 . 1 1 112 112 ILE CD1 C 13 13.5574 0.100 . 1 . . . A 347 ILE CD1 . 30118 1 1417 . 1 1 112 112 ILE N N 15 121.2636 0.040 . 1 . . . A 347 ILE N . 30118 1 1418 . 1 1 113 113 GLU H H 1 8.9002 0.010 . 1 . . . A 348 GLU H . 30118 1 1419 . 1 1 113 113 GLU HA H 1 4.4224 0.010 . 1 . . . A 348 GLU HA . 30118 1 1420 . 1 1 113 113 GLU HB2 H 1 1.7239 0.010 . 2 . . . A 348 GLU HB2 . 30118 1 1421 . 1 1 113 113 GLU HB3 H 1 1.9482 0.010 . 2 . . . A 348 GLU HB3 . 30118 1 1422 . 1 1 113 113 GLU HG2 H 1 2.2317 0.010 . 2 . . . A 348 GLU HG2 . 30118 1 1423 . 1 1 113 113 GLU HG3 H 1 2.3967 0.010 . 2 . . . A 348 GLU HG3 . 30118 1 1424 . 1 1 113 113 GLU C C 13 174.6674 0.100 . 1 . . . A 348 GLU C . 30118 1 1425 . 1 1 113 113 GLU CA C 13 55.8545 0.100 . 1 . . . A 348 GLU CA . 30118 1 1426 . 1 1 113 113 GLU CB C 13 31.1250 0.100 . 1 . . . A 348 GLU CB . 30118 1 1427 . 1 1 113 113 GLU CG C 13 36.1516 0.100 . 1 . . . A 348 GLU CG . 30118 1 1428 . 1 1 113 113 GLU N N 15 129.6829 0.040 . 1 . . . A 348 GLU N . 30118 1 1429 . 1 1 114 114 LYS H H 1 7.9247 0.010 . 1 . . . A 349 LYS H . 30118 1 1430 . 1 1 114 114 LYS HA H 1 4.2120 0.010 . 1 . . . A 349 LYS HA . 30118 1 1431 . 1 1 114 114 LYS HB2 H 1 1.6482 0.010 . 2 . . . A 349 LYS HB2 . 30118 1 1432 . 1 1 114 114 LYS HB3 H 1 1.7712 0.010 . 2 . . . A 349 LYS HB3 . 30118 1 1433 . 1 1 114 114 LYS HG2 H 1 1.2995 0.010 . 2 . . . A 349 LYS HG2 . 30118 1 1434 . 1 1 114 114 LYS HG3 H 1 1.2995 0.010 . 2 . . . A 349 LYS HG3 . 30118 1 1435 . 1 1 114 114 LYS HD2 H 1 1.5711 0.010 . 2 . . . A 349 LYS HD2 . 30118 1 1436 . 1 1 114 114 LYS HD3 H 1 1.5711 0.010 . 2 . . . A 349 LYS HD3 . 30118 1 1437 . 1 1 114 114 LYS HE2 H 1 2.8736 0.010 . 2 . . . A 349 LYS HE2 . 30118 1 1438 . 1 1 114 114 LYS HE3 H 1 2.8736 0.010 . 2 . . . A 349 LYS HE3 . 30118 1 1439 . 1 1 114 114 LYS CA C 13 57.6074 0.100 . 1 . . . A 349 LYS CA . 30118 1 1440 . 1 1 114 114 LYS CB C 13 34.2600 0.100 . 1 . . . A 349 LYS CB . 30118 1 1441 . 1 1 114 114 LYS CG C 13 25.0062 0.100 . 1 . . . A 349 LYS CG . 30118 1 1442 . 1 1 114 114 LYS CD C 13 29.3465 0.100 . 1 . . . A 349 LYS CD . 30118 1 1443 . 1 1 114 114 LYS CE C 13 42.3304 0.100 . 1 . . . A 349 LYS CE . 30118 1 1444 . 1 1 114 114 LYS N N 15 126.7496 0.040 . 1 . . . A 349 LYS N . 30118 1 stop_ save_