data_51674 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51674 _Entry.Title ; DinB-PAD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-28 _Entry.Accession_date 2022-10-28 _Entry.Last_release_date 2022-10-28 _Entry.Original_release_date 2022-10-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Damasus Okeke . C. . . 51674 2 Bjorn Burmann . M. . 0000-0002-3135-7964 51674 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51674 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 51674 '15N chemical shifts' 118 51674 '1H chemical shifts' 627 51674 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-07-28 2022-10-28 update BMRB 'update entry citation' 51674 1 . . 2023-06-23 2022-10-28 original author 'original release' 51674 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51675 DinB-Thumb 51674 BMRB 51676 DinBdeltaPAD 51674 BMRB 51677 DinB 51674 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51674 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37260088 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Thumb-domain dynamics modulate the functional repertoire of DNA-Polymerase IV (DinB) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 51 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7036 _Citation.Page_last 7052 _Citation.Year 2023 _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 Damasus Okeke . C. . . 51674 1 2 Jens Lidman . . . . 51674 1 3 Irena Matecko-Burmann . . . . 51674 1 4 Bjorn Burmann . . . . 51674 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51674 _Assembly.ID 1 _Assembly.Name DinB-PAD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DinB-PAd 1 $entity_1 . . yes native no no . . . 51674 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51674 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIDERDVNSERLRKSVGVER TMAEDIHHWSECEAIIERLY PELERRLAKVKPDLLIARQG VKLKFDDFQQTTQEHVWPRL NKADLIATARKTWDERRGGR GVRLVGLHVTLLDPQMERQL VLGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 228 GLY . 51674 1 2 229 ILE . 51674 1 3 230 ASP . 51674 1 4 231 GLU . 51674 1 5 232 ARG . 51674 1 6 233 ASP . 51674 1 7 234 VAL . 51674 1 8 235 ASN . 51674 1 9 236 SER . 51674 1 10 237 GLU . 51674 1 11 238 ARG . 51674 1 12 239 LEU . 51674 1 13 240 ARG . 51674 1 14 241 LYS . 51674 1 15 242 SER . 51674 1 16 243 VAL . 51674 1 17 244 GLY . 51674 1 18 245 VAL . 51674 1 19 246 GLU . 51674 1 20 247 ARG . 51674 1 21 248 THR . 51674 1 22 249 MET . 51674 1 23 250 ALA . 51674 1 24 251 GLU . 51674 1 25 252 ASP . 51674 1 26 253 ILE . 51674 1 27 254 HIS . 51674 1 28 255 HIS . 51674 1 29 256 TRP . 51674 1 30 257 SER . 51674 1 31 258 GLU . 51674 1 32 259 CYS . 51674 1 33 260 GLU . 51674 1 34 261 ALA . 51674 1 35 262 ILE . 51674 1 36 263 ILE . 51674 1 37 264 GLU . 51674 1 38 265 ARG . 51674 1 39 266 LEU . 51674 1 40 267 TYR . 51674 1 41 268 PRO . 51674 1 42 269 GLU . 51674 1 43 270 LEU . 51674 1 44 271 GLU . 51674 1 45 272 ARG . 51674 1 46 273 ARG . 51674 1 47 274 LEU . 51674 1 48 275 ALA . 51674 1 49 276 LYS . 51674 1 50 277 VAL . 51674 1 51 278 LYS . 51674 1 52 279 PRO . 51674 1 53 280 ASP . 51674 1 54 281 LEU . 51674 1 55 282 LEU . 51674 1 56 283 ILE . 51674 1 57 284 ALA . 51674 1 58 285 ARG . 51674 1 59 286 GLN . 51674 1 60 287 GLY . 51674 1 61 288 VAL . 51674 1 62 289 LYS . 51674 1 63 290 LEU . 51674 1 64 291 LYS . 51674 1 65 292 PHE . 51674 1 66 293 ASP . 51674 1 67 294 ASP . 51674 1 68 295 PHE . 51674 1 69 296 GLN . 51674 1 70 297 GLN . 51674 1 71 298 THR . 51674 1 72 299 THR . 51674 1 73 300 GLN . 51674 1 74 301 GLU . 51674 1 75 302 HIS . 51674 1 76 303 VAL . 51674 1 77 304 TRP . 51674 1 78 305 PRO . 51674 1 79 306 ARG . 51674 1 80 307 LEU . 51674 1 81 308 ASN . 51674 1 82 309 LYS . 51674 1 83 310 ALA . 51674 1 84 311 ASP . 51674 1 85 312 LEU . 51674 1 86 313 ILE . 51674 1 87 314 ALA . 51674 1 88 315 THR . 51674 1 89 316 ALA . 51674 1 90 317 ARG . 51674 1 91 318 LYS . 51674 1 92 319 THR . 51674 1 93 320 TRP . 51674 1 94 321 ASP . 51674 1 95 322 GLU . 51674 1 96 323 ARG . 51674 1 97 324 ARG . 51674 1 98 325 GLY . 51674 1 99 326 GLY . 51674 1 100 327 ARG . 51674 1 101 328 GLY . 51674 1 102 329 VAL . 51674 1 103 330 ARG . 51674 1 104 331 LEU . 51674 1 105 332 VAL . 51674 1 106 333 GLY . 51674 1 107 334 LEU . 51674 1 108 335 HIS . 51674 1 109 336 VAL . 51674 1 110 337 THR . 51674 1 111 338 LEU . 51674 1 112 339 LEU . 51674 1 113 340 ASP . 51674 1 114 341 PRO . 51674 1 115 342 GLN . 51674 1 116 343 MET . 51674 1 117 344 GLU . 51674 1 118 345 ARG . 51674 1 119 346 GLN . 51674 1 120 347 LEU . 51674 1 121 348 VAL . 51674 1 122 349 LEU . 51674 1 123 350 GLY . 51674 1 124 351 LEU . 51674 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 51674 1 . ILE 2 2 51674 1 . ASP 3 3 51674 1 . GLU 4 4 51674 1 . ARG 5 5 51674 1 . ASP 6 6 51674 1 . VAL 7 7 51674 1 . ASN 8 8 51674 1 . SER 9 9 51674 1 . GLU 10 10 51674 1 . ARG 11 11 51674 1 . LEU 12 12 51674 1 . ARG 13 13 51674 1 . LYS 14 14 51674 1 . SER 15 15 51674 1 . VAL 16 16 51674 1 . GLY 17 17 51674 1 . VAL 18 18 51674 1 . GLU 19 19 51674 1 . ARG 20 20 51674 1 . THR 21 21 51674 1 . MET 22 22 51674 1 . ALA 23 23 51674 1 . GLU 24 24 51674 1 . ASP 25 25 51674 1 . ILE 26 26 51674 1 . HIS 27 27 51674 1 . HIS 28 28 51674 1 . TRP 29 29 51674 1 . SER 30 30 51674 1 . GLU 31 31 51674 1 . CYS 32 32 51674 1 . GLU 33 33 51674 1 . ALA 34 34 51674 1 . ILE 35 35 51674 1 . ILE 36 36 51674 1 . GLU 37 37 51674 1 . ARG 38 38 51674 1 . LEU 39 39 51674 1 . TYR 40 40 51674 1 . PRO 41 41 51674 1 . GLU 42 42 51674 1 . LEU 43 43 51674 1 . GLU 44 44 51674 1 . ARG 45 45 51674 1 . ARG 46 46 51674 1 . LEU 47 47 51674 1 . ALA 48 48 51674 1 . LYS 49 49 51674 1 . VAL 50 50 51674 1 . LYS 51 51 51674 1 . PRO 52 52 51674 1 . ASP 53 53 51674 1 . LEU 54 54 51674 1 . LEU 55 55 51674 1 . ILE 56 56 51674 1 . ALA 57 57 51674 1 . ARG 58 58 51674 1 . GLN 59 59 51674 1 . GLY 60 60 51674 1 . VAL 61 61 51674 1 . LYS 62 62 51674 1 . LEU 63 63 51674 1 . LYS 64 64 51674 1 . PHE 65 65 51674 1 . ASP 66 66 51674 1 . ASP 67 67 51674 1 . PHE 68 68 51674 1 . GLN 69 69 51674 1 . GLN 70 70 51674 1 . THR 71 71 51674 1 . THR 72 72 51674 1 . GLN 73 73 51674 1 . GLU 74 74 51674 1 . HIS 75 75 51674 1 . VAL 76 76 51674 1 . TRP 77 77 51674 1 . PRO 78 78 51674 1 . ARG 79 79 51674 1 . LEU 80 80 51674 1 . ASN 81 81 51674 1 . LYS 82 82 51674 1 . ALA 83 83 51674 1 . ASP 84 84 51674 1 . LEU 85 85 51674 1 . ILE 86 86 51674 1 . ALA 87 87 51674 1 . THR 88 88 51674 1 . ALA 89 89 51674 1 . ARG 90 90 51674 1 . LYS 91 91 51674 1 . THR 92 92 51674 1 . TRP 93 93 51674 1 . ASP 94 94 51674 1 . GLU 95 95 51674 1 . ARG 96 96 51674 1 . ARG 97 97 51674 1 . GLY 98 98 51674 1 . GLY 99 99 51674 1 . ARG 100 100 51674 1 . GLY 101 101 51674 1 . VAL 102 102 51674 1 . ARG 103 103 51674 1 . LEU 104 104 51674 1 . VAL 105 105 51674 1 . GLY 106 106 51674 1 . LEU 107 107 51674 1 . HIS 108 108 51674 1 . VAL 109 109 51674 1 . THR 110 110 51674 1 . LEU 111 111 51674 1 . LEU 112 112 51674 1 . ASP 113 113 51674 1 . PRO 114 114 51674 1 . GLN 115 115 51674 1 . MET 116 116 51674 1 . GLU 117 117 51674 1 . ARG 118 118 51674 1 . GLN 119 119 51674 1 . LEU 120 120 51674 1 . VAL 121 121 51674 1 . LEU 122 122 51674 1 . GLY 123 123 51674 1 . LEU 124 124 51674 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51674 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51674 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51674 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28b-SUMO . . . 51674 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51674 _Sample.ID 1 _Sample.Name DinB-PAD _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sample was measured in 50 mM KPi, 100 mM KCl, 50 mM Arginine, 50 mM Glutamine, 1 mM EDTA, 1 mM TCEP, 0.1 mM CHAPSO, pH 6.8 ; _Sample.Aggregate_sample_number 1 _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 DinB-PAD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51674 1 2 KPi 'natural abundance' . . . . . . 50 . . mM . . . . 51674 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 51674 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 51674 1 5 Glutamine 'natural abundance' . . . . . . 50 . . mM . . . . 51674 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51674 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51674 1 8 CHAPSO 'natural abundance' . . . . . . 0.1 . . mM . . . . 51674 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51674 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 51674 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _Sample_condition_list.Details ; 50 mM KPi, 100 mM KCl, 50 mM Arginine, 50 mM Glutamine, 1 mM EDTA, 1 mM TCEP, 0.1 mM CHAPSO, pH 6.8 ; 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' 200 . mM 51674 1 pH 6.8 . pH 51674 1 pressure 1 . atm 51674 1 temperature 298 . K 51674 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51674 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51674 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51674 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51674 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51674 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51674 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51674 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51674 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51674 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51674 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51674 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51674 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51674 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 7 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 8 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 9 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 1 10 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51674 1 11 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51674 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 51674 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DinB-PAD _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 na indirect . . . . . . 51674 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51674 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51674 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 51674 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DinB-PAD _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 '2D 1H-15N HSQC' . . . 51674 1 2 '3D CBCA(CO)NH' . . . 51674 1 3 '3D HNCO' . . . 51674 1 4 '3D HNCA' . . . 51674 1 5 '3D HNCACB' . . . 51674 1 6 '3D HN(CA)CO' . . . 51674 1 7 '3D HCCH-TOCSY' . . . 51674 1 8 '3D (H)CCH-TOCSY' . . . 51674 1 9 '3D HBHA(CO)NH' . . . 51674 1 10 '2D 1H-13C HSQC' . . . 51674 1 11 '3D H(CCO)NH' . . . 51674 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 3 $software_3 . . 51674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE HA H 1 4.121 0.020 . 1 . . . . . 229 ILE HA . 51674 1 2 . 1 . 1 2 2 ILE HB H 1 1.783 0.020 . 1 . . . . . 229 ILE HB . 51674 1 3 . 1 . 1 2 2 ILE HG12 H 1 1.099 0.020 . 2 . . . . . 229 ILE HG12 . 51674 1 4 . 1 . 1 2 2 ILE HG13 H 1 0.782 0.020 . 2 . . . . . 229 ILE HG13 . 51674 1 5 . 1 . 1 2 2 ILE HG21 H 1 0.830 0.020 . 1 . . . . . 229 ILE HG2 . 51674 1 6 . 1 . 1 2 2 ILE HG22 H 1 0.830 0.020 . 1 . . . . . 229 ILE HG2 . 51674 1 7 . 1 . 1 2 2 ILE HG23 H 1 0.830 0.020 . 1 . . . . . 229 ILE HG2 . 51674 1 8 . 1 . 1 2 2 ILE C C 13 175.715 0.3 . 1 . . . . . 229 ILE C . 51674 1 9 . 1 . 1 2 2 ILE CA C 13 61.386 0.3 . 1 . . . . . 229 ILE CA . 51674 1 10 . 1 . 1 2 2 ILE CB C 13 38.763 0.3 . 1 . . . . . 229 ILE CB . 51674 1 11 . 1 . 1 3 3 ASP H H 1 8.381 0.020 . 1 . . . . . 230 ASP H . 51674 1 12 . 1 . 1 3 3 ASP HA H 1 4.524 0.020 . 1 . . . . . 230 ASP HA . 51674 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.681 0.020 . 2 . . . . . 230 ASP HB2 . 51674 1 14 . 1 . 1 3 3 ASP HB3 H 1 2.681 0.020 . 2 . . . . . 230 ASP HB3 . 51674 1 15 . 1 . 1 3 3 ASP C C 13 176.151 0.3 . 1 . . . . . 230 ASP C . 51674 1 16 . 1 . 1 3 3 ASP CA C 13 54.064 0.3 . 1 . . . . . 230 ASP CA . 51674 1 17 . 1 . 1 3 3 ASP CB C 13 41.024 0.3 . 1 . . . . . 230 ASP CB . 51674 1 18 . 1 . 1 3 3 ASP N N 15 124.449 0.3 . 1 . . . . . 230 ASP N . 51674 1 19 . 1 . 1 4 4 GLU H H 1 8.244 0.020 . 1 . . . . . 231 GLU H . 51674 1 20 . 1 . 1 4 4 GLU HA H 1 4.114 0.020 . 1 . . . . . 231 GLU HA . 51674 1 21 . 1 . 1 4 4 GLU HB2 H 1 1.827 0.020 . 2 . . . . . 231 GLU HB2 . 51674 1 22 . 1 . 1 4 4 GLU HB3 H 1 2.033 0.020 . 2 . . . . . 231 GLU HB3 . 51674 1 23 . 1 . 1 4 4 GLU HG2 H 1 2.214 0.020 . 2 . . . . . 231 GLU HG2 . 51674 1 24 . 1 . 1 4 4 GLU HG3 H 1 2.214 0.020 . 2 . . . . . 231 GLU HG3 . 51674 1 25 . 1 . 1 4 4 GLU C C 13 176.481 0.3 . 1 . . . . . 231 GLU C . 51674 1 26 . 1 . 1 4 4 GLU CA C 13 56.529 0.3 . 1 . . . . . 231 GLU CA . 51674 1 27 . 1 . 1 4 4 GLU CB C 13 29.794 0.3 . 1 . . . . . 231 GLU CB . 51674 1 28 . 1 . 1 4 4 GLU N N 15 122.722 0.3 . 1 . . . . . 231 GLU N . 51674 1 29 . 1 . 1 5 5 ARG H H 1 8.176 0.020 . 1 . . . . . 232 ARG H . 51674 1 30 . 1 . 1 5 5 ARG HA H 1 4.171 0.020 . 1 . . . . . 232 ARG HA . 51674 1 31 . 1 . 1 5 5 ARG HB2 H 1 1.741 0.020 . 2 . . . . . 232 ARG HB2 . 51674 1 32 . 1 . 1 5 5 ARG HB3 H 1 1.741 0.020 . 1 . . . . . 232 ARG HB3 . 51674 1 33 . 1 . 1 5 5 ARG HG3 H 1 1.560 0.020 . 1 . . . . . 232 ARG HG3 . 51674 1 34 . 1 . 1 5 5 ARG HD3 H 1 3.120 0.020 . 1 . . . . . 232 ARG HD3 . 51674 1 35 . 1 . 1 5 5 ARG C C 13 176.151 0.3 . 1 . . . . . 232 ARG C . 51674 1 36 . 1 . 1 5 5 ARG CA C 13 56.144 0.3 . 1 . . . . . 232 ARG CA . 51674 1 37 . 1 . 1 5 5 ARG CB C 13 30.438 0.3 . 1 . . . . . 232 ARG CB . 51674 1 38 . 1 . 1 5 5 ARG N N 15 121.454 0.3 . 1 . . . . . 232 ARG N . 51674 1 39 . 1 . 1 6 6 ASP H H 1 8.149 0.020 . 1 . . . . . 233 ASP H . 51674 1 40 . 1 . 1 6 6 ASP HA H 1 4.565 0.020 . 1 . . . . . 233 ASP HA . 51674 1 41 . 1 . 1 6 6 ASP HB2 H 1 2.632 0.020 . 2 . . . . . 233 ASP HB2 . 51674 1 42 . 1 . 1 6 6 ASP HB3 H 1 2.632 0.020 . 2 . . . . . 233 ASP HB3 . 51674 1 43 . 1 . 1 6 6 ASP C C 13 176.697 0.3 . 1 . . . . . 233 ASP C . 51674 1 44 . 1 . 1 6 6 ASP CA C 13 54.045 0.3 . 1 . . . . . 233 ASP CA . 51674 1 45 . 1 . 1 6 6 ASP CB C 13 40.717 0.3 . 1 . . . . . 233 ASP CB . 51674 1 46 . 1 . 1 6 6 ASP N N 15 121.751 0.3 . 1 . . . . . 233 ASP N . 51674 1 47 . 1 . 1 7 7 VAL H H 1 7.900 0.020 . 1 . . . . . 234 VAL H . 51674 1 48 . 1 . 1 7 7 VAL HA H 1 3.953 0.020 . 1 . . . . . 234 VAL HA . 51674 1 49 . 1 . 1 7 7 VAL HB H 1 2.046 0.020 . 1 . . . . . 234 VAL HB . 51674 1 50 . 1 . 1 7 7 VAL HG21 H 1 0.851 0.020 . 1 . . . . . 234 VAL HG2 . 51674 1 51 . 1 . 1 7 7 VAL HG22 H 1 0.851 0.020 . 1 . . . . . 234 VAL HG2 . 51674 1 52 . 1 . 1 7 7 VAL HG23 H 1 0.851 0.020 . 1 . . . . . 234 VAL HG2 . 51674 1 53 . 1 . 1 7 7 VAL C C 13 176.371 0.3 . 1 . . . . . 234 VAL C . 51674 1 54 . 1 . 1 7 7 VAL CA C 13 63.004 0.3 . 1 . . . . . 234 VAL CA . 51674 1 55 . 1 . 1 7 7 VAL CB C 13 32.093 0.3 . 1 . . . . . 234 VAL CB . 51674 1 56 . 1 . 1 7 7 VAL N N 15 120.967 0.3 . 1 . . . . . 234 VAL N . 51674 1 57 . 1 . 1 8 8 ASN H H 1 8.300 0.020 . 1 . . . . . 235 ASN H . 51674 1 58 . 1 . 1 8 8 ASN HA H 1 4.568 0.020 . 1 . . . . . 235 ASN HA . 51674 1 59 . 1 . 1 8 8 ASN HB2 H 1 2.731 0.020 . 2 . . . . . 235 ASN HB2 . 51674 1 60 . 1 . 1 8 8 ASN HB3 H 1 2.731 0.020 . 2 . . . . . 235 ASN HB3 . 51674 1 61 . 1 . 1 8 8 ASN C C 13 175.821 0.3 . 1 . . . . . 235 ASN C . 51674 1 62 . 1 . 1 8 8 ASN CA C 13 53.753 0.3 . 1 . . . . . 235 ASN CA . 51674 1 63 . 1 . 1 8 8 ASN CB C 13 38.600 0.3 . 1 . . . . . 235 ASN CB . 51674 1 64 . 1 . 1 8 8 ASN N N 15 121.222 0.3 . 1 . . . . . 235 ASN N . 51674 1 65 . 1 . 1 9 9 SER H H 1 7.989 0.020 . 1 . . . . . 236 SER H . 51674 1 66 . 1 . 1 9 9 SER HA H 1 4.235 0.020 . 1 . . . . . 236 SER HA . 51674 1 67 . 1 . 1 9 9 SER HB2 H 1 3.804 0.020 . 2 . . . . . 236 SER HB2 . 51674 1 68 . 1 . 1 9 9 SER HB3 H 1 3.696 0.020 . 1 . . . . . 236 SER HB3 . 51674 1 69 . 1 . 1 9 9 SER C C 13 175.250 0.3 . 1 . . . . . 236 SER C . 51674 1 70 . 1 . 1 9 9 SER CA C 13 59.381 0.3 . 1 . . . . . 236 SER CA . 51674 1 71 . 1 . 1 9 9 SER CB C 13 63.285 0.3 . 1 . . . . . 236 SER CB . 51674 1 72 . 1 . 1 9 9 SER N N 15 116.755 0.3 . 1 . . . . . 236 SER N . 51674 1 73 . 1 . 1 10 10 GLU H H 1 8.205 0.020 . 1 . . . . . 237 GLU H . 51674 1 74 . 1 . 1 10 10 GLU HA H 1 4.118 0.020 . 1 . . . . . 237 GLU HA . 51674 1 75 . 1 . 1 10 10 GLU HB2 H 1 2.034 0.020 . 2 . . . . . 237 GLU HB2 . 51674 1 76 . 1 . 1 10 10 GLU HB3 H 1 2.034 0.020 . 2 . . . . . 237 GLU HB3 . 51674 1 77 . 1 . 1 10 10 GLU HG2 H 1 2.214 0.020 . 2 . . . . . 237 GLU HG2 . 51674 1 78 . 1 . 1 10 10 GLU HG3 H 1 2.214 0.020 . 2 . . . . . 237 GLU HG3 . 51674 1 79 . 1 . 1 10 10 GLU C C 13 177.028 0.3 . 1 . . . . . 237 GLU C . 51674 1 80 . 1 . 1 10 10 GLU CA C 13 57.321 0.3 . 1 . . . . . 237 GLU CA . 51674 1 81 . 1 . 1 10 10 GLU CB C 13 29.567 0.3 . 1 . . . . . 237 GLU CB . 51674 1 82 . 1 . 1 10 10 GLU N N 15 122.980 0.3 . 1 . . . . . 237 GLU N . 51674 1 83 . 1 . 1 11 11 ARG H H 1 7.928 0.020 . 1 . . . . . 238 ARG H . 51674 1 84 . 1 . 1 11 11 ARG HA H 1 4.120 0.020 . 1 . . . . . 238 ARG HA . 51674 1 85 . 1 . 1 11 11 ARG HB2 H 1 1.728 0.020 . 2 . . . . . 238 ARG HB2 . 51674 1 86 . 1 . 1 11 11 ARG HB3 H 1 1.728 0.020 . 1 . . . . . 238 ARG HB3 . 51674 1 87 . 1 . 1 11 11 ARG HG3 H 1 1.562 0.020 . 1 . . . . . 238 ARG HG3 . 51674 1 88 . 1 . 1 11 11 ARG HD3 H 1 3.121 0.020 . 1 . . . . . 238 ARG HD3 . 51674 1 89 . 1 . 1 11 11 ARG C C 13 176.575 0.3 . 1 . . . . . 238 ARG C . 51674 1 90 . 1 . 1 11 11 ARG CA C 13 56.355 0.3 . 1 . . . . . 238 ARG CA . 51674 1 91 . 1 . 1 11 11 ARG CB C 13 30.022 0.3 . 1 . . . . . 238 ARG CB . 51674 1 92 . 1 . 1 11 11 ARG N N 15 120.610 0.3 . 1 . . . . . 238 ARG N . 51674 1 93 . 1 . 1 12 12 LEU H H 1 7.820 0.020 . 1 . . . . . 239 LEU H . 51674 1 94 . 1 . 1 12 12 LEU HA H 1 4.261 0.020 . 1 . . . . . 239 LEU HA . 51674 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.604 0.020 . 1 . . . . . 239 LEU HB2 . 51674 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.604 0.020 . 1 . . . . . 239 LEU HB3 . 51674 1 97 . 1 . 1 12 12 LEU HG H 1 1.502 0.020 . 1 . . . . . 239 LEU HG . 51674 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.774 0.020 . 2 . . . . . 239 LEU HD1 . 51674 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.774 0.020 . 2 . . . . . 239 LEU HD1 . 51674 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.774 0.020 . 2 . . . . . 239 LEU HD1 . 51674 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.836 0.020 . 2 . . . . . 239 LEU HD2 . 51674 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.836 0.020 . 2 . . . . . 239 LEU HD2 . 51674 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.836 0.020 . 2 . . . . . 239 LEU HD2 . 51674 1 104 . 1 . 1 12 12 LEU C C 13 177.126 0.3 . 1 . . . . . 239 LEU C . 51674 1 105 . 1 . 1 12 12 LEU CA C 13 55.104 0.3 . 1 . . . . . 239 LEU CA . 51674 1 106 . 1 . 1 12 12 LEU CB C 13 42.063 0.3 . 1 . . . . . 239 LEU CB . 51674 1 107 . 1 . 1 12 12 LEU N N 15 121.705 0.3 . 1 . . . . . 239 LEU N . 51674 1 108 . 1 . 1 13 13 ARG H H 1 7.881 0.020 . 1 . . . . . 240 ARG H . 51674 1 109 . 1 . 1 13 13 ARG HA H 1 4.338 0.020 . 1 . . . . . 240 ARG HA . 51674 1 110 . 1 . 1 13 13 ARG HB2 H 1 1.756 0.020 . 2 . . . . . 240 ARG HB2 . 51674 1 111 . 1 . 1 13 13 ARG HB3 H 1 2.175 0.020 . 2 . . . . . 240 ARG HB3 . 51674 1 112 . 1 . 1 13 13 ARG HG3 H 1 1.545 0.020 . 1 . . . . . 240 ARG HG3 . 51674 1 113 . 1 . 1 13 13 ARG HD3 H 1 3.120 0.020 . 1 . . . . . 240 ARG HD3 . 51674 1 114 . 1 . 1 13 13 ARG C C 13 175.936 0.3 . 1 . . . . . 240 ARG C . 51674 1 115 . 1 . 1 13 13 ARG CA C 13 55.891 0.3 . 1 . . . . . 240 ARG CA . 51674 1 116 . 1 . 1 13 13 ARG CB C 13 30.599 0.3 . 1 . . . . . 240 ARG CB . 51674 1 117 . 1 . 1 13 13 ARG N N 15 121.482 0.3 . 1 . . . . . 240 ARG N . 51674 1 118 . 1 . 1 14 14 LYS H H 1 8.382 0.020 . 1 . . . . . 241 LYS H . 51674 1 119 . 1 . 1 14 14 LYS HA H 1 4.295 0.020 . 1 . . . . . 241 LYS HA . 51674 1 120 . 1 . 1 14 14 LYS HB2 H 1 1.529 0.020 . 2 . . . . . 241 LYS HB2 . 51674 1 121 . 1 . 1 14 14 LYS HB3 H 1 1.598 0.020 . 2 . . . . . 241 LYS HB3 . 51674 1 122 . 1 . 1 14 14 LYS HG3 H 1 1.307 0.020 . 1 . . . . . 241 LYS HG3 . 51674 1 123 . 1 . 1 14 14 LYS C C 13 175.166 0.3 . 1 . . . . . 241 LYS C . 51674 1 124 . 1 . 1 14 14 LYS CA C 13 55.960 0.3 . 1 . . . . . 241 LYS CA . 51674 1 125 . 1 . 1 14 14 LYS CB C 13 33.583 0.3 . 1 . . . . . 241 LYS CB . 51674 1 126 . 1 . 1 14 14 LYS N N 15 122.508 0.3 . 1 . . . . . 241 LYS N . 51674 1 127 . 1 . 1 15 15 SER H H 1 7.947 0.020 . 1 . . . . . 242 SER H . 51674 1 128 . 1 . 1 15 15 SER HA H 1 5.237 0.020 . 1 . . . . . 242 SER HA . 51674 1 129 . 1 . 1 15 15 SER HB2 H 1 3.562 0.020 . 2 . . . . . 242 SER HB2 . 51674 1 130 . 1 . 1 15 15 SER HB3 H 1 3.695 0.020 . 2 . . . . . 242 SER HB3 . 51674 1 131 . 1 . 1 15 15 SER C C 13 173.417 0.3 . 1 . . . . . 242 SER C . 51674 1 132 . 1 . 1 15 15 SER CA C 13 56.686 0.3 . 1 . . . . . 242 SER CA . 51674 1 133 . 1 . 1 15 15 SER CB C 13 65.455 0.3 . 1 . . . . . 242 SER CB . 51674 1 134 . 1 . 1 15 15 SER N N 15 115.960 0.3 . 1 . . . . . 242 SER N . 51674 1 135 . 1 . 1 16 16 VAL H H 1 8.252 0.020 . 1 . . . . . 243 VAL H . 51674 1 136 . 1 . 1 16 16 VAL HA H 1 4.215 0.020 . 1 . . . . . 243 VAL HA . 51674 1 137 . 1 . 1 16 16 VAL HB H 1 1.747 0.020 . 1 . . . . . 243 VAL HB . 51674 1 138 . 1 . 1 16 16 VAL HG11 H 1 0.718 0.020 . 2 . . . . . 243 VAL HG1 . 51674 1 139 . 1 . 1 16 16 VAL HG12 H 1 0.718 0.020 . 2 . . . . . 243 VAL HG1 . 51674 1 140 . 1 . 1 16 16 VAL HG13 H 1 0.718 0.020 . 2 . . . . . 243 VAL HG1 . 51674 1 141 . 1 . 1 16 16 VAL HG21 H 1 0.863 0.020 . 2 . . . . . 243 VAL HG2 . 51674 1 142 . 1 . 1 16 16 VAL HG22 H 1 0.863 0.020 . 2 . . . . . 243 VAL HG2 . 51674 1 143 . 1 . 1 16 16 VAL HG23 H 1 0.863 0.020 . 2 . . . . . 243 VAL HG2 . 51674 1 144 . 1 . 1 16 16 VAL C C 13 173.746 0.3 . 1 . . . . . 243 VAL C . 51674 1 145 . 1 . 1 16 16 VAL CA C 13 61.663 0.3 . 1 . . . . . 243 VAL CA . 51674 1 146 . 1 . 1 16 16 VAL CB C 13 34.612 0.3 . 1 . . . . . 243 VAL CB . 51674 1 147 . 1 . 1 16 16 VAL N N 15 123.202 0.3 . 1 . . . . . 243 VAL N . 51674 1 148 . 1 . 1 17 17 GLY H H 1 8.170 0.020 . 1 . . . . . 244 GLY H . 51674 1 149 . 1 . 1 17 17 GLY HA2 H 1 3.905 0.020 . 2 . . . . . 244 GLY HA2 . 51674 1 150 . 1 . 1 17 17 GLY HA3 H 1 5.049 0.020 . 2 . . . . . 244 GLY HA3 . 51674 1 151 . 1 . 1 17 17 GLY C C 13 171.889 0.3 . 1 . . . . . 244 GLY C . 51674 1 152 . 1 . 1 17 17 GLY CA C 13 45.032 0.3 . 1 . . . . . 244 GLY CA . 51674 1 153 . 1 . 1 17 17 GLY N N 15 112.964 0.3 . 1 . . . . . 244 GLY N . 51674 1 154 . 1 . 1 18 18 VAL H H 1 8.518 0.020 . 1 . . . . . 245 VAL H . 51674 1 155 . 1 . 1 18 18 VAL HA H 1 4.049 0.020 . 1 . . . . . 245 VAL HA . 51674 1 156 . 1 . 1 18 18 VAL HB H 1 1.661 0.020 . 1 . . . . . 245 VAL HB . 51674 1 157 . 1 . 1 18 18 VAL HG11 H 1 0.711 0.020 . 2 . . . . . 245 VAL HG1 . 51674 1 158 . 1 . 1 18 18 VAL HG12 H 1 0.711 0.020 . 2 . . . . . 245 VAL HG1 . 51674 1 159 . 1 . 1 18 18 VAL HG13 H 1 0.711 0.020 . 2 . . . . . 245 VAL HG1 . 51674 1 160 . 1 . 1 18 18 VAL HG21 H 1 0.862 0.020 . 2 . . . . . 245 VAL HG2 . 51674 1 161 . 1 . 1 18 18 VAL HG22 H 1 0.862 0.020 . 2 . . . . . 245 VAL HG2 . 51674 1 162 . 1 . 1 18 18 VAL HG23 H 1 0.862 0.020 . 2 . . . . . 245 VAL HG2 . 51674 1 163 . 1 . 1 18 18 VAL C C 13 173.746 0.3 . 1 . . . . . 245 VAL C . 51674 1 164 . 1 . 1 18 18 VAL CA C 13 59.324 0.3 . 1 . . . . . 245 VAL CA . 51674 1 165 . 1 . 1 18 18 VAL CB C 13 35.232 0.3 . 1 . . . . . 245 VAL CB . 51674 1 166 . 1 . 1 18 18 VAL N N 15 113.017 0.3 . 1 . . . . . 245 VAL N . 51674 1 167 . 1 . 1 19 19 GLU H H 1 8.504 0.020 . 1 . . . . . 246 GLU H . 51674 1 168 . 1 . 1 19 19 GLU HA H 1 5.277 0.020 . 1 . . . . . 246 GLU HA . 51674 1 169 . 1 . 1 19 19 GLU HB2 H 1 1.620 0.020 . 2 . . . . . 246 GLU HB2 . 51674 1 170 . 1 . 1 19 19 GLU HB3 H 1 1.620 0.020 . 1 . . . . . 246 GLU HB3 . 51674 1 171 . 1 . 1 19 19 GLU HG2 H 1 1.901 0.020 . 2 . . . . . 246 GLU HG2 . 51674 1 172 . 1 . 1 19 19 GLU HG3 H 1 2.041 0.020 . 2 . . . . . 246 GLU HG3 . 51674 1 173 . 1 . 1 19 19 GLU C C 13 174.295 0.3 . 1 . . . . . 246 GLU C . 51674 1 174 . 1 . 1 19 19 GLU CA C 13 54.664 0.3 . 1 . . . . . 246 GLU CA . 51674 1 175 . 1 . 1 19 19 GLU CB C 13 33.656 0.3 . 1 . . . . . 246 GLU CB . 51674 1 176 . 1 . 1 19 19 GLU N N 15 120.225 0.3 . 1 . . . . . 246 GLU N . 51674 1 177 . 1 . 1 20 20 ARG H H 1 8.599 0.020 . 1 . . . . . 247 ARG H . 51674 1 178 . 1 . 1 20 20 ARG HA H 1 4.642 0.020 . 1 . . . . . 247 ARG HA . 51674 1 179 . 1 . 1 20 20 ARG HB2 H 1 1.582 0.020 . 2 . . . . . 247 ARG HB2 . 51674 1 180 . 1 . 1 20 20 ARG HB3 H 1 1.629 0.020 . 1 . . . . . 247 ARG HB3 . 51674 1 181 . 1 . 1 20 20 ARG HG2 H 1 1.490 0.020 . 2 . . . . . 247 ARG HG2 . 51674 1 182 . 1 . 1 20 20 ARG HG3 H 1 1.537 0.020 . 2 . . . . . 247 ARG HG3 . 51674 1 183 . 1 . 1 20 20 ARG HD2 H 1 3.142 0.020 . 2 . . . . . 247 ARG HD2 . 51674 1 184 . 1 . 1 20 20 ARG HD3 H 1 3.189 0.020 . 2 . . . . . 247 ARG HD3 . 51674 1 185 . 1 . 1 20 20 ARG C C 13 173.964 0.3 . 1 . . . . . 247 ARG C . 51674 1 186 . 1 . 1 20 20 ARG CA C 13 54.452 0.3 . 1 . . . . . 247 ARG CA . 51674 1 187 . 1 . 1 20 20 ARG CB C 13 34.083 0.3 . 1 . . . . . 247 ARG CB . 51674 1 188 . 1 . 1 20 20 ARG N N 15 121.574 0.3 . 1 . . . . . 247 ARG N . 51674 1 189 . 1 . 1 21 21 THR H H 1 8.476 0.020 . 1 . . . . . 248 THR H . 51674 1 190 . 1 . 1 21 21 THR HA H 1 3.804 0.020 . 1 . . . . . 248 THR HA . 51674 1 191 . 1 . 1 21 21 THR HB H 1 3.940 0.020 . 1 . . . . . 248 THR HB . 51674 1 192 . 1 . 1 21 21 THR C C 13 174.515 0.3 . 1 . . . . . 248 THR C . 51674 1 193 . 1 . 1 21 21 THR CA C 13 63.285 0.3 . 1 . . . . . 248 THR CA . 51674 1 194 . 1 . 1 21 21 THR CB C 13 69.224 0.3 . 1 . . . . . 248 THR CB . 51674 1 195 . 1 . 1 21 21 THR N N 15 122.567 0.3 . 1 . . . . . 248 THR N . 51674 1 196 . 1 . 1 22 22 MET H H 1 8.640 0.020 . 1 . . . . . 249 MET H . 51674 1 197 . 1 . 1 22 22 MET HA H 1 4.449 0.020 . 1 . . . . . 249 MET HA . 51674 1 198 . 1 . 1 22 22 MET C C 13 176.043 0.3 . 1 . . . . . 249 MET C . 51674 1 199 . 1 . 1 22 22 MET CA C 13 54.507 0.3 . 1 . . . . . 249 MET CA . 51674 1 200 . 1 . 1 22 22 MET CB C 13 32.642 0.3 . 1 . . . . . 249 MET CB . 51674 1 201 . 1 . 1 22 22 MET N N 15 127.779 0.3 . 1 . . . . . 249 MET N . 51674 1 202 . 1 . 1 23 23 ALA H H 1 8.584 0.020 . 1 . . . . . 250 ALA H . 51674 1 203 . 1 . 1 23 23 ALA HA H 1 4.060 0.020 . 1 . . . . . 250 ALA HA . 51674 1 204 . 1 . 1 23 23 ALA HB1 H 1 1.390 0.020 . 1 . . . . . 250 ALA HB . 51674 1 205 . 1 . 1 23 23 ALA HB2 H 1 1.390 0.020 . 1 . . . . . 250 ALA HB . 51674 1 206 . 1 . 1 23 23 ALA HB3 H 1 1.390 0.020 . 1 . . . . . 250 ALA HB . 51674 1 207 . 1 . 1 23 23 ALA C C 13 177.322 0.3 . 1 . . . . . 250 ALA C . 51674 1 208 . 1 . 1 23 23 ALA CA C 13 53.915 0.3 . 1 . . . . . 250 ALA CA . 51674 1 209 . 1 . 1 23 23 ALA CB C 13 18.526 0.3 . 1 . . . . . 250 ALA CB . 51674 1 210 . 1 . 1 23 23 ALA N N 15 126.659 0.3 . 1 . . . . . 250 ALA N . 51674 1 211 . 1 . 1 24 24 GLU H H 1 7.188 0.020 . 1 . . . . . 251 GLU H . 51674 1 212 . 1 . 1 24 24 GLU HA H 1 4.382 0.020 . 1 . . . . . 251 GLU HA . 51674 1 213 . 1 . 1 24 24 GLU HB2 H 1 1.871 0.020 . 1 . . . . . 251 GLU HB2 . 51674 1 214 . 1 . 1 24 24 GLU HB3 H 1 1.871 0.020 . 1 . . . . . 251 GLU HB3 . 51674 1 215 . 1 . 1 24 24 GLU HG2 H 1 2.175 0.020 . 2 . . . . . 251 GLU HG2 . 51674 1 216 . 1 . 1 24 24 GLU HG3 H 1 2.295 0.020 . 2 . . . . . 251 GLU HG3 . 51674 1 217 . 1 . 1 24 24 GLU C C 13 174.729 0.3 . 1 . . . . . 251 GLU C . 51674 1 218 . 1 . 1 24 24 GLU CA C 13 54.453 0.3 . 1 . . . . . 251 GLU CA . 51674 1 219 . 1 . 1 24 24 GLU CB C 13 31.413 0.3 . 1 . . . . . 251 GLU CB . 51674 1 220 . 1 . 1 24 24 GLU N N 15 115.278 0.3 . 1 . . . . . 251 GLU N . 51674 1 221 . 1 . 1 25 25 ASP H H 1 8.254 0.020 . 1 . . . . . 252 ASP H . 51674 1 222 . 1 . 1 25 25 ASP HA H 1 4.371 0.020 . 1 . . . . . 252 ASP HA . 51674 1 223 . 1 . 1 25 25 ASP HB2 H 1 1.911 0.020 . 1 . . . . . 252 ASP HB2 . 51674 1 224 . 1 . 1 25 25 ASP HB3 H 1 1.911 0.020 . 1 . . . . . 252 ASP HB3 . 51674 1 225 . 1 . 1 25 25 ASP C C 13 176.588 0.3 . 1 . . . . . 252 ASP C . 51674 1 226 . 1 . 1 25 25 ASP CA C 13 55.123 0.3 . 1 . . . . . 252 ASP CA . 51674 1 227 . 1 . 1 25 25 ASP CB C 13 40.610 0.3 . 1 . . . . . 252 ASP CB . 51674 1 228 . 1 . 1 25 25 ASP N N 15 123.079 0.3 . 1 . . . . . 252 ASP N . 51674 1 229 . 1 . 1 26 26 ILE H H 1 8.518 0.020 . 1 . . . . . 253 ILE H . 51674 1 230 . 1 . 1 26 26 ILE HA H 1 4.587 0.020 . 1 . . . . . 253 ILE HA . 51674 1 231 . 1 . 1 26 26 ILE HB H 1 2.154 0.020 . 1 . . . . . 253 ILE HB . 51674 1 232 . 1 . 1 26 26 ILE HG21 H 1 0.952 0.020 . 1 . . . . . 253 ILE HG2 . 51674 1 233 . 1 . 1 26 26 ILE HG22 H 1 0.952 0.020 . 1 . . . . . 253 ILE HG2 . 51674 1 234 . 1 . 1 26 26 ILE HG23 H 1 0.952 0.020 . 1 . . . . . 253 ILE HG2 . 51674 1 235 . 1 . 1 26 26 ILE HD11 H 1 0.733 0.020 . 1 . . . . . 253 ILE HD1 . 51674 1 236 . 1 . 1 26 26 ILE HD12 H 1 0.733 0.020 . 1 . . . . . 253 ILE HD1 . 51674 1 237 . 1 . 1 26 26 ILE HD13 H 1 0.733 0.020 . 1 . . . . . 253 ILE HD1 . 51674 1 238 . 1 . 1 26 26 ILE C C 13 176.546 0.3 . 1 . . . . . 253 ILE C . 51674 1 239 . 1 . 1 26 26 ILE CA C 13 60.168 0.3 . 1 . . . . . 253 ILE CA . 51674 1 240 . 1 . 1 26 26 ILE CB C 13 40.025 0.3 . 1 . . . . . 253 ILE CB . 51674 1 241 . 1 . 1 26 26 ILE N N 15 114.671 0.3 . 1 . . . . . 253 ILE N . 51674 1 242 . 1 . 1 27 27 HIS H H 1 9.034 0.020 . 1 . . . . . 254 HIS H . 51674 1 243 . 1 . 1 27 27 HIS HA H 1 3.220 0.020 . 1 . . . . . 254 HIS HA . 51674 1 244 . 1 . 1 27 27 HIS HB2 H 1 1.410 0.020 . 1 . . . . . 254 HIS HB2 . 51674 1 245 . 1 . 1 27 27 HIS HB3 H 1 1.410 0.020 . 1 . . . . . 254 HIS HB3 . 51674 1 246 . 1 . 1 27 27 HIS C C 13 172.979 0.3 . 1 . . . . . 254 HIS C . 51674 1 247 . 1 . 1 27 27 HIS CA C 13 56.129 0.3 . 1 . . . . . 254 HIS CA . 51674 1 248 . 1 . 1 27 27 HIS CB C 13 32.415 0.3 . 1 . . . . . 254 HIS CB . 51674 1 249 . 1 . 1 27 27 HIS N N 15 117.330 0.3 . 1 . . . . . 254 HIS N . 51674 1 250 . 1 . 1 28 28 HIS H H 1 8.205 0.020 . 1 . . . . . 255 HIS H . 51674 1 251 . 1 . 1 28 28 HIS HA H 1 4.398 0.020 . 1 . . . . . 255 HIS HA . 51674 1 252 . 1 . 1 28 28 HIS HB2 H 1 2.463 0.020 . 2 . . . . . 255 HIS HB2 . 51674 1 253 . 1 . 1 28 28 HIS HB3 H 1 2.557 0.020 . 2 . . . . . 255 HIS HB3 . 51674 1 254 . 1 . 1 28 28 HIS C C 13 175.277 0.3 . 1 . . . . . 255 HIS C . 51674 1 255 . 1 . 1 28 28 HIS CA C 13 55.738 0.3 . 1 . . . . . 255 HIS CA . 51674 1 256 . 1 . 1 28 28 HIS CB C 13 32.092 0.3 . 1 . . . . . 255 HIS CB . 51674 1 257 . 1 . 1 28 28 HIS N N 15 118.655 0.3 . 1 . . . . . 255 HIS N . 51674 1 258 . 1 . 1 29 29 TRP H H 1 9.792 0.020 . 1 . . . . . 256 TRP H . 51674 1 259 . 1 . 1 29 29 TRP HA H 1 2.747 0.020 . 1 . . . . . 256 TRP HA . 51674 1 260 . 1 . 1 29 29 TRP C C 13 177.324 0.3 . 1 . . . . . 256 TRP C . 51674 1 261 . 1 . 1 29 29 TRP CA C 13 59.157 0.3 . 1 . . . . . 256 TRP CA . 51674 1 262 . 1 . 1 29 29 TRP CB C 13 27.838 0.3 . 1 . . . . . 256 TRP CB . 51674 1 263 . 1 . 1 29 29 TRP N N 15 129.373 0.3 . 1 . . . . . 256 TRP N . 51674 1 264 . 1 . 1 30 30 SER H H 1 8.840 0.020 . 1 . . . . . 257 SER H . 51674 1 265 . 1 . 1 30 30 SER HA H 1 3.729 0.020 . 1 . . . . . 257 SER HA . 51674 1 266 . 1 . 1 30 30 SER C C 13 177.340 0.3 . 1 . . . . . 257 SER C . 51674 1 267 . 1 . 1 30 30 SER CA C 13 61.210 0.3 . 1 . . . . . 257 SER CA . 51674 1 268 . 1 . 1 30 30 SER CB C 13 61.829 0.3 . 1 . . . . . 257 SER CB . 51674 1 269 . 1 . 1 30 30 SER N N 15 113.248 0.3 . 1 . . . . . 257 SER N . 51674 1 270 . 1 . 1 31 31 GLU H H 1 6.789 0.020 . 1 . . . . . 258 GLU H . 51674 1 271 . 1 . 1 31 31 GLU HA H 1 3.952 0.020 . 1 . . . . . 258 GLU HA . 51674 1 272 . 1 . 1 31 31 GLU HB2 H 1 3.690 0.020 . 1 . . . . . 258 GLU HB2 . 51674 1 273 . 1 . 1 31 31 GLU HB3 H 1 3.690 0.020 . 1 . . . . . 258 GLU HB3 . 51674 1 274 . 1 . 1 31 31 GLU C C 13 177.902 0.3 . 1 . . . . . 258 GLU C . 51674 1 275 . 1 . 1 31 31 GLU CA C 13 57.893 0.3 . 1 . . . . . 258 GLU CA . 51674 1 276 . 1 . 1 31 31 GLU CB C 13 30.181 0.3 . 1 . . . . . 258 GLU CB . 51674 1 277 . 1 . 1 31 31 GLU N N 15 120.842 0.3 . 1 . . . . . 258 GLU N . 51674 1 278 . 1 . 1 32 32 CYS H H 1 6.766 0.020 . 1 . . . . . 259 CYS H . 51674 1 279 . 1 . 1 32 32 CYS HA H 1 3.456 0.020 . 1 . . . . . 259 CYS HA . 51674 1 280 . 1 . 1 32 32 CYS HB2 H 1 1.828 0.020 . 2 . . . . . 259 CYS HB2 . 51674 1 281 . 1 . 1 32 32 CYS HB3 H 1 1.828 0.020 . 2 . . . . . 259 CYS HB3 . 51674 1 282 . 1 . 1 32 32 CYS C C 13 175.714 0.3 . 1 . . . . . 259 CYS C . 51674 1 283 . 1 . 1 32 32 CYS CA C 13 62.100 0.3 . 1 . . . . . 259 CYS CA . 51674 1 284 . 1 . 1 32 32 CYS CB C 13 26.403 0.3 . 1 . . . . . 259 CYS CB . 51674 1 285 . 1 . 1 32 32 CYS N N 15 122.695 0.3 . 1 . . . . . 259 CYS N . 51674 1 286 . 1 . 1 33 33 GLU H H 1 7.577 0.020 . 1 . . . . . 260 GLU H . 51674 1 287 . 1 . 1 33 33 GLU HA H 1 2.911 0.020 . 1 . . . . . 260 GLU HA . 51674 1 288 . 1 . 1 33 33 GLU HB2 H 1 0.873 0.020 . 1 . . . . . 260 GLU HB2 . 51674 1 289 . 1 . 1 33 33 GLU HB3 H 1 0.873 0.020 . 1 . . . . . 260 GLU HB3 . 51674 1 290 . 1 . 1 33 33 GLU C C 13 177.137 0.3 . 1 . . . . . 260 GLU C . 51674 1 291 . 1 . 1 33 33 GLU CA C 13 60.016 0.3 . 1 . . . . . 260 GLU CA . 51674 1 292 . 1 . 1 33 33 GLU CB C 13 28.432 0.3 . 1 . . . . . 260 GLU CB . 51674 1 293 . 1 . 1 33 33 GLU N N 15 120.079 0.3 . 1 . . . . . 260 GLU N . 51674 1 294 . 1 . 1 34 34 ALA H H 1 6.830 0.020 . 1 . . . . . 261 ALA H . 51674 1 295 . 1 . 1 34 34 ALA HA H 1 3.935 0.020 . 1 . . . . . 261 ALA HA . 51674 1 296 . 1 . 1 34 34 ALA HB1 H 1 1.349 0.020 . 1 . . . . . 261 ALA HB . 51674 1 297 . 1 . 1 34 34 ALA HB2 H 1 1.349 0.020 . 1 . . . . . 261 ALA HB . 51674 1 298 . 1 . 1 34 34 ALA HB3 H 1 1.349 0.020 . 1 . . . . . 261 ALA HB . 51674 1 299 . 1 . 1 34 34 ALA C C 13 180.638 0.3 . 1 . . . . . 261 ALA C . 51674 1 300 . 1 . 1 34 34 ALA CA C 13 54.658 0.3 . 1 . . . . . 261 ALA CA . 51674 1 301 . 1 . 1 34 34 ALA CB C 13 17.536 0.3 . 1 . . . . . 261 ALA CB . 51674 1 302 . 1 . 1 34 34 ALA N N 15 118.430 0.3 . 1 . . . . . 261 ALA N . 51674 1 303 . 1 . 1 35 35 ILE H H 1 7.153 0.020 . 1 . . . . . 262 ILE H . 51674 1 304 . 1 . 1 35 35 ILE HA H 1 3.695 0.020 . 1 . . . . . 262 ILE HA . 51674 1 305 . 1 . 1 35 35 ILE HB H 1 3.096 0.020 . 1 . . . . . 262 ILE HB . 51674 1 306 . 1 . 1 35 35 ILE C C 13 178.340 0.3 . 1 . . . . . 262 ILE C . 51674 1 307 . 1 . 1 35 35 ILE CA C 13 63.244 0.3 . 1 . . . . . 262 ILE CA . 51674 1 308 . 1 . 1 35 35 ILE CB C 13 36.977 0.3 . 1 . . . . . 262 ILE CB . 51674 1 309 . 1 . 1 35 35 ILE N N 15 119.438 0.3 . 1 . . . . . 262 ILE N . 51674 1 310 . 1 . 1 36 36 ILE H H 1 8.047 0.020 . 1 . . . . . 263 ILE H . 51674 1 311 . 1 . 1 36 36 ILE HA H 1 3.374 0.020 . 1 . . . . . 263 ILE HA . 51674 1 312 . 1 . 1 36 36 ILE HB H 1 1.318 0.020 . 1 . . . . . 263 ILE HB . 51674 1 313 . 1 . 1 36 36 ILE HG13 H 1 0.793 0.020 . 1 . . . . . 263 ILE HG13 . 51674 1 314 . 1 . 1 36 36 ILE C C 13 177.354 0.3 . 1 . . . . . 263 ILE C . 51674 1 315 . 1 . 1 36 36 ILE CA C 13 66.785 0.3 . 1 . . . . . 263 ILE CA . 51674 1 316 . 1 . 1 36 36 ILE CB C 13 36.912 0.3 . 1 . . . . . 263 ILE CB . 51674 1 317 . 1 . 1 36 36 ILE N N 15 123.007 0.3 . 1 . . . . . 263 ILE N . 51674 1 318 . 1 . 1 37 37 GLU H H 1 8.071 0.020 . 1 . . . . . 264 GLU H . 51674 1 319 . 1 . 1 37 37 GLU HA H 1 3.864 0.020 . 1 . . . . . 264 GLU HA . 51674 1 320 . 1 . 1 37 37 GLU HB2 H 1 1.972 0.020 . 2 . . . . . 264 GLU HB2 . 51674 1 321 . 1 . 1 37 37 GLU HB3 H 1 2.031 0.020 . 2 . . . . . 264 GLU HB3 . 51674 1 322 . 1 . 1 37 37 GLU HG2 H 1 2.269 0.020 . 2 . . . . . 264 GLU HG2 . 51674 1 323 . 1 . 1 37 37 GLU HG3 H 1 2.302 0.020 . 2 . . . . . 264 GLU HG3 . 51674 1 324 . 1 . 1 37 37 GLU C C 13 178.655 0.3 . 1 . . . . . 264 GLU C . 51674 1 325 . 1 . 1 37 37 GLU CA C 13 59.304 0.3 . 1 . . . . . 264 GLU CA . 51674 1 326 . 1 . 1 37 37 GLU CB C 13 28.694 0.3 . 1 . . . . . 264 GLU CB . 51674 1 327 . 1 . 1 37 37 GLU N N 15 118.175 0.3 . 1 . . . . . 264 GLU N . 51674 1 328 . 1 . 1 38 38 ARG H H 1 7.189 0.020 . 1 . . . . . 265 ARG H . 51674 1 329 . 1 . 1 38 38 ARG HA H 1 4.214 0.020 . 1 . . . . . 265 ARG HA . 51674 1 330 . 1 . 1 38 38 ARG HB2 H 1 1.825 0.020 . 2 . . . . . 265 ARG HB2 . 51674 1 331 . 1 . 1 38 38 ARG HB3 H 1 1.825 0.020 . 1 . . . . . 265 ARG HB3 . 51674 1 332 . 1 . 1 38 38 ARG HG2 H 1 1.565 0.020 . 2 . . . . . 265 ARG HG2 . 51674 1 333 . 1 . 1 38 38 ARG HG3 H 1 1.637 0.020 . 2 . . . . . 265 ARG HG3 . 51674 1 334 . 1 . 1 38 38 ARG HD3 H 1 3.122 0.020 . 1 . . . . . 265 ARG HD3 . 51674 1 335 . 1 . 1 38 38 ARG C C 13 178.450 0.3 . 1 . . . . . 265 ARG C . 51674 1 336 . 1 . 1 38 38 ARG CA C 13 57.614 0.3 . 1 . . . . . 265 ARG CA . 51674 1 337 . 1 . 1 38 38 ARG CB C 13 30.199 0.3 . 1 . . . . . 265 ARG CB . 51674 1 338 . 1 . 1 38 38 ARG N N 15 117.081 0.3 . 1 . . . . . 265 ARG N . 51674 1 339 . 1 . 1 39 39 LEU H H 1 8.228 0.020 . 1 . . . . . 266 LEU H . 51674 1 340 . 1 . 1 39 39 LEU HA H 1 4.166 0.020 . 1 . . . . . 266 LEU HA . 51674 1 341 . 1 . 1 39 39 LEU HB2 H 1 1.734 0.020 . 1 . . . . . 266 LEU HB2 . 51674 1 342 . 1 . 1 39 39 LEU HB3 H 1 1.734 0.020 . 1 . . . . . 266 LEU HB3 . 51674 1 343 . 1 . 1 39 39 LEU HD11 H 1 0.631 0.020 . 2 . . . . . 266 LEU HD1 . 51674 1 344 . 1 . 1 39 39 LEU HD12 H 1 0.631 0.020 . 2 . . . . . 266 LEU HD1 . 51674 1 345 . 1 . 1 39 39 LEU HD13 H 1 0.631 0.020 . 2 . . . . . 266 LEU HD1 . 51674 1 346 . 1 . 1 39 39 LEU HD21 H 1 0.658 0.020 . 2 . . . . . 266 LEU HD2 . 51674 1 347 . 1 . 1 39 39 LEU HD22 H 1 0.658 0.020 . 2 . . . . . 266 LEU HD2 . 51674 1 348 . 1 . 1 39 39 LEU HD23 H 1 0.658 0.020 . 2 . . . . . 266 LEU HD2 . 51674 1 349 . 1 . 1 39 39 LEU C C 13 178.357 0.3 . 1 . . . . . 266 LEU C . 51674 1 350 . 1 . 1 39 39 LEU CA C 13 56.371 0.3 . 1 . . . . . 266 LEU CA . 51674 1 351 . 1 . 1 39 39 LEU CB C 13 43.878 0.3 . 1 . . . . . 266 LEU CB . 51674 1 352 . 1 . 1 39 39 LEU N N 15 120.743 0.3 . 1 . . . . . 266 LEU N . 51674 1 353 . 1 . 1 40 40 TYR H H 1 8.511 0.020 . 1 . . . . . 267 TYR H . 51674 1 354 . 1 . 1 40 40 TYR C C 13 172.425 0.3 . 1 . . . . . 267 TYR C . 51674 1 355 . 1 . 1 40 40 TYR CA C 13 64.585 0.3 . 1 . . . . . 267 TYR CA . 51674 1 356 . 1 . 1 40 40 TYR CB C 13 35.605 0.3 . 1 . . . . . 267 TYR CB . 51674 1 357 . 1 . 1 40 40 TYR N N 15 120.267 0.3 . 1 . . . . . 267 TYR N . 51674 1 358 . 1 . 1 41 41 PRO HA H 1 4.162 0.020 . 1 . . . . . 268 PRO HA . 51674 1 359 . 1 . 1 41 41 PRO HB2 H 1 2.324 0.020 . 1 . . . . . 268 PRO HB2 . 51674 1 360 . 1 . 1 41 41 PRO HB3 H 1 2.324 0.020 . 1 . . . . . 268 PRO HB3 . 51674 1 361 . 1 . 1 41 41 PRO C C 13 179.112 0.3 . 1 . . . . . 268 PRO C . 51674 1 362 . 1 . 1 41 41 PRO CA C 13 65.562 0.3 . 1 . . . . . 268 PRO CA . 51674 1 363 . 1 . 1 41 41 PRO CB C 13 31.239 0.3 . 1 . . . . . 268 PRO CB . 51674 1 364 . 1 . 1 42 42 GLU H H 1 6.766 0.020 . 1 . . . . . 269 GLU H . 51674 1 365 . 1 . 1 42 42 GLU HA H 1 4.089 0.020 . 1 . . . . . 269 GLU HA . 51674 1 366 . 1 . 1 42 42 GLU HB2 H 1 2.113 0.020 . 2 . . . . . 269 GLU HB2 . 51674 1 367 . 1 . 1 42 42 GLU HB3 H 1 2.113 0.020 . 2 . . . . . 269 GLU HB3 . 51674 1 368 . 1 . 1 42 42 GLU HG2 H 1 2.269 0.020 . 2 . . . . . 269 GLU HG2 . 51674 1 369 . 1 . 1 42 42 GLU HG3 H 1 2.227 0.020 . 2 . . . . . 269 GLU HG3 . 51674 1 370 . 1 . 1 42 42 GLU C C 13 178.120 0.3 . 1 . . . . . 269 GLU C . 51674 1 371 . 1 . 1 42 42 GLU CA C 13 57.928 0.3 . 1 . . . . . 269 GLU CA . 51674 1 372 . 1 . 1 42 42 GLU CB C 13 28.476 0.3 . 1 . . . . . 269 GLU CB . 51674 1 373 . 1 . 1 42 42 GLU N N 15 117.055 0.3 . 1 . . . . . 269 GLU N . 51674 1 374 . 1 . 1 43 43 LEU H H 1 7.559 0.020 . 1 . . . . . 270 LEU H . 51674 1 375 . 1 . 1 43 43 LEU HA H 1 3.673 0.020 . 1 . . . . . 270 LEU HA . 51674 1 376 . 1 . 1 43 43 LEU HB2 H 1 2.898 0.020 . 1 . . . . . 270 LEU HB2 . 51674 1 377 . 1 . 1 43 43 LEU HB3 H 1 2.898 0.020 . 1 . . . . . 270 LEU HB3 . 51674 1 378 . 1 . 1 43 43 LEU HG H 1 1.595 0.020 . 1 . . . . . 270 LEU HG . 51674 1 379 . 1 . 1 43 43 LEU HD11 H 1 1.306 0.020 . 2 . . . . . 270 LEU HD1 . 51674 1 380 . 1 . 1 43 43 LEU HD12 H 1 1.306 0.020 . 2 . . . . . 270 LEU HD1 . 51674 1 381 . 1 . 1 43 43 LEU HD13 H 1 1.306 0.020 . 2 . . . . . 270 LEU HD1 . 51674 1 382 . 1 . 1 43 43 LEU HD21 H 1 1.404 0.020 . 2 . . . . . 270 LEU HD2 . 51674 1 383 . 1 . 1 43 43 LEU HD22 H 1 1.404 0.020 . 2 . . . . . 270 LEU HD2 . 51674 1 384 . 1 . 1 43 43 LEU HD23 H 1 1.404 0.020 . 2 . . . . . 270 LEU HD2 . 51674 1 385 . 1 . 1 43 43 LEU C C 13 177.137 0.3 . 1 . . . . . 270 LEU C . 51674 1 386 . 1 . 1 43 43 LEU CA C 13 57.309 0.3 . 1 . . . . . 270 LEU CA . 51674 1 387 . 1 . 1 43 43 LEU CB C 13 41.893 0.3 . 1 . . . . . 270 LEU CB . 51674 1 388 . 1 . 1 43 43 LEU N N 15 122.642 0.3 . 1 . . . . . 270 LEU N . 51674 1 389 . 1 . 1 44 44 GLU H H 1 7.985 0.020 . 1 . . . . . 271 GLU H . 51674 1 390 . 1 . 1 44 44 GLU HA H 1 3.292 0.020 . 1 . . . . . 271 GLU HA . 51674 1 391 . 1 . 1 44 44 GLU HB2 H 1 1.732 0.020 . 2 . . . . . 271 GLU HB2 . 51674 1 392 . 1 . 1 44 44 GLU HB3 H 1 1.732 0.020 . 2 . . . . . 271 GLU HB3 . 51674 1 393 . 1 . 1 44 44 GLU C C 13 177.247 0.3 . 1 . . . . . 271 GLU C . 51674 1 394 . 1 . 1 44 44 GLU CA C 13 60.178 0.3 . 1 . . . . . 271 GLU CA . 51674 1 395 . 1 . 1 44 44 GLU CB C 13 29.545 0.3 . 1 . . . . . 271 GLU CB . 51674 1 396 . 1 . 1 44 44 GLU N N 15 118.682 0.3 . 1 . . . . . 271 GLU N . 51674 1 397 . 1 . 1 45 45 ARG H H 1 7.586 0.020 . 1 . . . . . 272 ARG H . 51674 1 398 . 1 . 1 45 45 ARG HA H 1 3.905 0.020 . 1 . . . . . 272 ARG HA . 51674 1 399 . 1 . 1 45 45 ARG HB2 H 1 1.849 0.020 . 2 . . . . . 272 ARG HB2 . 51674 1 400 . 1 . 1 45 45 ARG HB3 H 1 1.849 0.020 . 1 . . . . . 272 ARG HB3 . 51674 1 401 . 1 . 1 45 45 ARG HG2 H 1 1.567 0.020 . 2 . . . . . 272 ARG HG2 . 51674 1 402 . 1 . 1 45 45 ARG HG3 H 1 1.637 0.020 . 2 . . . . . 272 ARG HG3 . 51674 1 403 . 1 . 1 45 45 ARG HD3 H 1 3.121 0.020 . 1 . . . . . 272 ARG HD3 . 51674 1 404 . 1 . 1 45 45 ARG C C 13 179.434 0.3 . 1 . . . . . 272 ARG C . 51674 1 405 . 1 . 1 45 45 ARG CA C 13 59.271 0.3 . 1 . . . . . 272 ARG CA . 51674 1 406 . 1 . 1 45 45 ARG CB C 13 30.399 0.3 . 1 . . . . . 272 ARG CB . 51674 1 407 . 1 . 1 45 45 ARG N N 15 117.402 0.3 . 1 . . . . . 272 ARG N . 51674 1 408 . 1 . 1 46 46 ARG H H 1 7.764 0.020 . 1 . . . . . 273 ARG H . 51674 1 409 . 1 . 1 46 46 ARG HA H 1 3.830 0.020 . 1 . . . . . 273 ARG HA . 51674 1 410 . 1 . 1 46 46 ARG HB2 H 1 1.567 0.020 . 2 . . . . . 273 ARG HB2 . 51674 1 411 . 1 . 1 46 46 ARG HB3 H 1 1.567 0.020 . 1 . . . . . 273 ARG HB3 . 51674 1 412 . 1 . 1 46 46 ARG HG3 H 1 1.518 0.020 . 1 . . . . . 273 ARG HG3 . 51674 1 413 . 1 . 1 46 46 ARG HD2 H 1 2.744 0.020 . 2 . . . . . 273 ARG HD2 . 51674 1 414 . 1 . 1 46 46 ARG HD3 H 1 2.901 0.020 . 2 . . . . . 273 ARG HD3 . 51674 1 415 . 1 . 1 46 46 ARG C C 13 179.316 0.3 . 1 . . . . . 273 ARG C . 51674 1 416 . 1 . 1 46 46 ARG CA C 13 58.550 0.3 . 1 . . . . . 273 ARG CA . 51674 1 417 . 1 . 1 46 46 ARG CB C 13 30.202 0.3 . 1 . . . . . 273 ARG CB . 51674 1 418 . 1 . 1 46 46 ARG N N 15 118.965 0.3 . 1 . . . . . 273 ARG N . 51674 1 419 . 1 . 1 47 47 LEU H H 1 8.552 0.020 . 1 . . . . . 274 LEU H . 51674 1 420 . 1 . 1 47 47 LEU HA H 1 3.981 0.020 . 1 . . . . . 274 LEU HA . 51674 1 421 . 1 . 1 47 47 LEU HB2 H 1 1.831 0.020 . 1 . . . . . 274 LEU HB2 . 51674 1 422 . 1 . 1 47 47 LEU HB3 H 1 1.831 0.020 . 1 . . . . . 274 LEU HB3 . 51674 1 423 . 1 . 1 47 47 LEU HD11 H 1 0.708 0.020 . 2 . . . . . 274 LEU HD1 . 51674 1 424 . 1 . 1 47 47 LEU HD12 H 1 0.708 0.020 . 2 . . . . . 274 LEU HD1 . 51674 1 425 . 1 . 1 47 47 LEU HD13 H 1 0.708 0.020 . 2 . . . . . 274 LEU HD1 . 51674 1 426 . 1 . 1 47 47 LEU HD21 H 1 0.819 0.020 . 2 . . . . . 274 LEU HD2 . 51674 1 427 . 1 . 1 47 47 LEU HD22 H 1 0.819 0.020 . 2 . . . . . 274 LEU HD2 . 51674 1 428 . 1 . 1 47 47 LEU HD23 H 1 0.819 0.020 . 2 . . . . . 274 LEU HD2 . 51674 1 429 . 1 . 1 47 47 LEU C C 13 177.682 0.3 . 1 . . . . . 274 LEU C . 51674 1 430 . 1 . 1 47 47 LEU CA C 13 57.042 0.3 . 1 . . . . . 274 LEU CA . 51674 1 431 . 1 . 1 47 47 LEU CB C 13 41.013 0.3 . 1 . . . . . 274 LEU CB . 51674 1 432 . 1 . 1 47 47 LEU N N 15 120.688 0.3 . 1 . . . . . 274 LEU N . 51674 1 433 . 1 . 1 48 48 ALA H H 1 8.522 0.020 . 1 . . . . . 275 ALA H . 51674 1 434 . 1 . 1 48 48 ALA HA H 1 3.855 0.020 . 1 . . . . . 275 ALA HA . 51674 1 435 . 1 . 1 48 48 ALA HB1 H 1 1.299 0.020 . 1 . . . . . 275 ALA HB . 51674 1 436 . 1 . 1 48 48 ALA HB2 H 1 1.299 0.020 . 1 . . . . . 275 ALA HB . 51674 1 437 . 1 . 1 48 48 ALA HB3 H 1 1.299 0.020 . 1 . . . . . 275 ALA HB . 51674 1 438 . 1 . 1 48 48 ALA C C 13 178.670 0.3 . 1 . . . . . 275 ALA C . 51674 1 439 . 1 . 1 48 48 ALA CA C 13 54.180 0.3 . 1 . . . . . 275 ALA CA . 51674 1 440 . 1 . 1 48 48 ALA CB C 13 17.569 0.3 . 1 . . . . . 275 ALA CB . 51674 1 441 . 1 . 1 48 48 ALA N N 15 121.250 0.3 . 1 . . . . . 275 ALA N . 51674 1 442 . 1 . 1 49 49 LYS H H 1 6.788 0.020 . 1 . . . . . 276 LYS H . 51674 1 443 . 1 . 1 49 49 LYS HA H 1 3.959 0.020 . 1 . . . . . 276 LYS HA . 51674 1 444 . 1 . 1 49 49 LYS HB2 H 1 1.842 0.020 . 1 . . . . . 276 LYS HB2 . 51674 1 445 . 1 . 1 49 49 LYS HB3 H 1 1.842 0.020 . 1 . . . . . 276 LYS HB3 . 51674 1 446 . 1 . 1 49 49 LYS HD2 H 1 1.443 0.020 . 2 . . . . . 276 LYS HD2 . 51674 1 447 . 1 . 1 49 49 LYS HD3 H 1 1.596 0.020 . 2 . . . . . 276 LYS HD3 . 51674 1 448 . 1 . 1 49 49 LYS HE3 H 1 2.921 0.020 . 1 . . . . . 276 LYS HE3 . 51674 1 449 . 1 . 1 49 49 LYS C C 13 177.563 0.3 . 1 . . . . . 276 LYS C . 51674 1 450 . 1 . 1 49 49 LYS CA C 13 58.126 0.3 . 1 . . . . . 276 LYS CA . 51674 1 451 . 1 . 1 49 49 LYS CB C 13 32.836 0.3 . 1 . . . . . 276 LYS CB . 51674 1 452 . 1 . 1 49 49 LYS N N 15 113.641 0.3 . 1 . . . . . 276 LYS N . 51674 1 453 . 1 . 1 50 50 VAL H H 1 7.112 0.020 . 1 . . . . . 277 VAL H . 51674 1 454 . 1 . 1 50 50 VAL HA H 1 4.273 0.020 . 1 . . . . . 277 VAL HA . 51674 1 455 . 1 . 1 50 50 VAL HB H 1 2.585 0.020 . 1 . . . . . 277 VAL HB . 51674 1 456 . 1 . 1 50 50 VAL HG11 H 1 0.761 0.020 . 2 . . . . . 277 VAL HG1 . 51674 1 457 . 1 . 1 50 50 VAL HG12 H 1 0.761 0.020 . 2 . . . . . 277 VAL HG1 . 51674 1 458 . 1 . 1 50 50 VAL HG13 H 1 0.761 0.020 . 2 . . . . . 277 VAL HG1 . 51674 1 459 . 1 . 1 50 50 VAL HG21 H 1 0.904 0.020 . 2 . . . . . 277 VAL HG2 . 51674 1 460 . 1 . 1 50 50 VAL HG22 H 1 0.904 0.020 . 2 . . . . . 277 VAL HG2 . 51674 1 461 . 1 . 1 50 50 VAL HG23 H 1 0.904 0.020 . 2 . . . . . 277 VAL HG2 . 51674 1 462 . 1 . 1 50 50 VAL C C 13 175.824 0.3 . 1 . . . . . 277 VAL C . 51674 1 463 . 1 . 1 50 50 VAL CA C 13 61.836 0.3 . 1 . . . . . 277 VAL CA . 51674 1 464 . 1 . 1 50 50 VAL CB C 13 33.209 0.3 . 1 . . . . . 277 VAL CB . 51674 1 465 . 1 . 1 50 50 VAL N N 15 112.685 0.3 . 1 . . . . . 277 VAL N . 51674 1 466 . 1 . 1 51 51 LYS H H 1 8.723 0.020 . 1 . . . . . 278 LYS H . 51674 1 467 . 1 . 1 51 51 LYS C C 13 172.979 0.3 . 1 . . . . . 278 LYS C . 51674 1 468 . 1 . 1 51 51 LYS CA C 13 52.323 0.3 . 1 . . . . . 278 LYS CA . 51674 1 469 . 1 . 1 51 51 LYS CB C 13 33.167 0.3 . 1 . . . . . 278 LYS CB . 51674 1 470 . 1 . 1 51 51 LYS N N 15 123.735 0.3 . 1 . . . . . 278 LYS N . 51674 1 471 . 1 . 1 52 52 PRO HA H 1 4.385 0.020 . 1 . . . . . 279 PRO HA . 51674 1 472 . 1 . 1 52 52 PRO HB2 H 1 1.929 0.020 . 2 . . . . . 279 PRO HB2 . 51674 1 473 . 1 . 1 52 52 PRO HB3 H 1 1.929 0.020 . 1 . . . . . 279 PRO HB3 . 51674 1 474 . 1 . 1 52 52 PRO HG2 H 1 1.590 0.020 . 2 . . . . . 279 PRO HG2 . 51674 1 475 . 1 . 1 52 52 PRO HG3 H 1 1.652 0.020 . 2 . . . . . 279 PRO HG3 . 51674 1 476 . 1 . 1 52 52 PRO HD2 H 1 3.974 0.020 . 2 . . . . . 279 PRO HD2 . 51674 1 477 . 1 . 1 52 52 PRO HD3 H 1 4.057 0.020 . 2 . . . . . 279 PRO HD3 . 51674 1 478 . 1 . 1 52 52 PRO C C 13 176.588 0.3 . 1 . . . . . 279 PRO C . 51674 1 479 . 1 . 1 52 52 PRO CA C 13 65.533 0.3 . 1 . . . . . 279 PRO CA . 51674 1 480 . 1 . 1 52 52 PRO CB C 13 31.878 0.3 . 1 . . . . . 279 PRO CB . 51674 1 481 . 1 . 1 53 53 ASP H H 1 7.471 0.020 . 1 . . . . . 280 ASP H . 51674 1 482 . 1 . 1 53 53 ASP HA H 1 4.375 0.020 . 1 . . . . . 280 ASP HA . 51674 1 483 . 1 . 1 53 53 ASP HB2 H 1 2.886 0.020 . 1 . . . . . 280 ASP HB2 . 51674 1 484 . 1 . 1 53 53 ASP HB3 H 1 2.886 0.020 . 1 . . . . . 280 ASP HB3 . 51674 1 485 . 1 . 1 53 53 ASP C C 13 176.257 0.3 . 1 . . . . . 280 ASP C . 51674 1 486 . 1 . 1 53 53 ASP CA C 13 53.391 0.3 . 1 . . . . . 280 ASP CA . 51674 1 487 . 1 . 1 53 53 ASP CB C 13 39.812 0.3 . 1 . . . . . 280 ASP CB . 51674 1 488 . 1 . 1 53 53 ASP N N 15 113.909 0.3 . 1 . . . . . 280 ASP N . 51674 1 489 . 1 . 1 54 54 LEU H H 1 8.326 0.020 . 1 . . . . . 281 LEU H . 51674 1 490 . 1 . 1 54 54 LEU HA H 1 3.568 0.020 . 1 . . . . . 281 LEU HA . 51674 1 491 . 1 . 1 54 54 LEU HB2 H 1 2.203 0.020 . 1 . . . . . 281 LEU HB2 . 51674 1 492 . 1 . 1 54 54 LEU HB3 H 1 2.203 0.020 . 1 . . . . . 281 LEU HB3 . 51674 1 493 . 1 . 1 54 54 LEU HD11 H 1 0.816 0.020 . 2 . . . . . 281 LEU HD1 . 51674 1 494 . 1 . 1 54 54 LEU HD12 H 1 0.816 0.020 . 2 . . . . . 281 LEU HD1 . 51674 1 495 . 1 . 1 54 54 LEU HD13 H 1 0.816 0.020 . 2 . . . . . 281 LEU HD1 . 51674 1 496 . 1 . 1 54 54 LEU HD21 H 1 0.951 0.020 . 2 . . . . . 281 LEU HD2 . 51674 1 497 . 1 . 1 54 54 LEU HD22 H 1 0.951 0.020 . 2 . . . . . 281 LEU HD2 . 51674 1 498 . 1 . 1 54 54 LEU HD23 H 1 0.951 0.020 . 2 . . . . . 281 LEU HD2 . 51674 1 499 . 1 . 1 54 54 LEU C C 13 174.185 0.3 . 1 . . . . . 281 LEU C . 51674 1 500 . 1 . 1 54 54 LEU CA C 13 55.955 0.3 . 1 . . . . . 281 LEU CA . 51674 1 501 . 1 . 1 54 54 LEU CB C 13 38.495 0.3 . 1 . . . . . 281 LEU CB . 51674 1 502 . 1 . 1 54 54 LEU N N 15 112.870 0.3 . 1 . . . . . 281 LEU N . 51674 1 503 . 1 . 1 55 55 LEU H H 1 7.271 0.020 . 1 . . . . . 282 LEU H . 51674 1 504 . 1 . 1 55 55 LEU HA H 1 4.590 0.020 . 1 . . . . . 282 LEU HA . 51674 1 505 . 1 . 1 55 55 LEU HB2 H 1 1.450 0.020 . 1 . . . . . 282 LEU HB2 . 51674 1 506 . 1 . 1 55 55 LEU HB3 H 1 1.450 0.020 . 1 . . . . . 282 LEU HB3 . 51674 1 507 . 1 . 1 55 55 LEU C C 13 177.247 0.3 . 1 . . . . . 282 LEU C . 51674 1 508 . 1 . 1 55 55 LEU CA C 13 55.565 0.3 . 1 . . . . . 282 LEU CA . 51674 1 509 . 1 . 1 55 55 LEU CB C 13 41.363 0.3 . 1 . . . . . 282 LEU CB . 51674 1 510 . 1 . 1 55 55 LEU N N 15 119.288 0.3 . 1 . . . . . 282 LEU N . 51674 1 511 . 1 . 1 56 56 ILE H H 1 7.456 0.020 . 1 . . . . . 283 ILE H . 51674 1 512 . 1 . 1 56 56 ILE HA H 1 4.643 0.020 . 1 . . . . . 283 ILE HA . 51674 1 513 . 1 . 1 56 56 ILE C C 13 172.543 0.3 . 1 . . . . . 283 ILE C . 51674 1 514 . 1 . 1 56 56 ILE CA C 13 59.452 0.3 . 1 . . . . . 283 ILE CA . 51674 1 515 . 1 . 1 56 56 ILE CB C 13 44.207 0.3 . 1 . . . . . 283 ILE CB . 51674 1 516 . 1 . 1 56 56 ILE N N 15 115.049 0.3 . 1 . . . . . 283 ILE N . 51674 1 517 . 1 . 1 57 57 ALA H H 1 8.411 0.020 . 1 . . . . . 284 ALA H . 51674 1 518 . 1 . 1 57 57 ALA HA H 1 4.595 0.020 . 1 . . . . . 284 ALA HA . 51674 1 519 . 1 . 1 57 57 ALA HB1 H 1 1.178 0.020 . 1 . . . . . 284 ALA HB . 51674 1 520 . 1 . 1 57 57 ALA HB2 H 1 1.178 0.020 . 1 . . . . . 284 ALA HB . 51674 1 521 . 1 . 1 57 57 ALA HB3 H 1 1.178 0.020 . 1 . . . . . 284 ALA HB . 51674 1 522 . 1 . 1 57 57 ALA C C 13 178.670 0.3 . 1 . . . . . 284 ALA C . 51674 1 523 . 1 . 1 57 57 ALA CA C 13 52.569 0.3 . 1 . . . . . 284 ALA CA . 51674 1 524 . 1 . 1 57 57 ALA CB C 13 20.986 0.3 . 1 . . . . . 284 ALA CB . 51674 1 525 . 1 . 1 57 57 ALA N N 15 117.796 0.3 . 1 . . . . . 284 ALA N . 51674 1 526 . 1 . 1 58 58 ARG H H 1 7.500 0.020 . 1 . . . . . 285 ARG H . 51674 1 527 . 1 . 1 58 58 ARG HA H 1 5.154 0.020 . 1 . . . . . 285 ARG HA . 51674 1 528 . 1 . 1 58 58 ARG C C 13 174.834 0.3 . 1 . . . . . 285 ARG C . 51674 1 529 . 1 . 1 58 58 ARG CA C 13 54.258 0.3 . 1 . . . . . 285 ARG CA . 51674 1 530 . 1 . 1 58 58 ARG CB C 13 35.914 0.3 . 1 . . . . . 285 ARG CB . 51674 1 531 . 1 . 1 58 58 ARG N N 15 112.468 0.3 . 1 . . . . . 285 ARG N . 51674 1 532 . 1 . 1 59 59 GLN H H 1 8.229 0.020 . 1 . . . . . 286 GLN H . 51674 1 533 . 1 . 1 59 59 GLN HA H 1 5.366 0.020 . 1 . . . . . 286 GLN HA . 51674 1 534 . 1 . 1 59 59 GLN HB2 H 1 1.779 0.020 . 1 . . . . . 286 GLN HB2 . 51674 1 535 . 1 . 1 59 59 GLN HB3 H 1 1.779 0.020 . 1 . . . . . 286 GLN HB3 . 51674 1 536 . 1 . 1 59 59 GLN HG2 H 1 2.183 0.020 . 2 . . . . . 286 GLN HG2 . 51674 1 537 . 1 . 1 59 59 GLN HG3 H 1 2.297 0.020 . 2 . . . . . 286 GLN HG3 . 51674 1 538 . 1 . 1 59 59 GLN C C 13 174.831 0.3 . 1 . . . . . 286 GLN C . 51674 1 539 . 1 . 1 59 59 GLN CA C 13 54.684 0.3 . 1 . . . . . 286 GLN CA . 51674 1 540 . 1 . 1 59 59 GLN CB C 13 31.885 0.3 . 1 . . . . . 286 GLN CB . 51674 1 541 . 1 . 1 59 59 GLN N N 15 114.113 0.3 . 1 . . . . . 286 GLN N . 51674 1 542 . 1 . 1 60 60 GLY H H 1 8.464 0.020 . 1 . . . . . 287 GLY H . 51674 1 543 . 1 . 1 60 60 GLY HA2 H 1 4.125 0.020 . 1 . . . . . 287 GLY HA2 . 51674 1 544 . 1 . 1 60 60 GLY HA3 H 1 4.125 0.020 . 1 . . . . . 287 GLY HA3 . 51674 1 545 . 1 . 1 60 60 GLY C C 13 169.697 0.3 . 1 . . . . . 287 GLY C . 51674 1 546 . 1 . 1 60 60 GLY CA C 13 46.091 0.3 . 1 . . . . . 287 GLY CA . 51674 1 547 . 1 . 1 60 60 GLY N N 15 108.209 0.3 . 1 . . . . . 287 GLY N . 51674 1 548 . 1 . 1 61 61 VAL H H 1 8.216 0.020 . 1 . . . . . 288 VAL H . 51674 1 549 . 1 . 1 61 61 VAL HA H 1 5.149 0.020 . 1 . . . . . 288 VAL HA . 51674 1 550 . 1 . 1 61 61 VAL HB H 1 1.878 0.020 . 1 . . . . . 288 VAL HB . 51674 1 551 . 1 . 1 61 61 VAL HG11 H 1 0.829 0.020 . 2 . . . . . 288 VAL HG1 . 51674 1 552 . 1 . 1 61 61 VAL HG12 H 1 0.829 0.020 . 2 . . . . . 288 VAL HG1 . 51674 1 553 . 1 . 1 61 61 VAL HG13 H 1 0.829 0.020 . 2 . . . . . 288 VAL HG1 . 51674 1 554 . 1 . 1 61 61 VAL HG21 H 1 0.884 0.020 . 2 . . . . . 288 VAL HG2 . 51674 1 555 . 1 . 1 61 61 VAL HG22 H 1 0.884 0.020 . 2 . . . . . 288 VAL HG2 . 51674 1 556 . 1 . 1 61 61 VAL HG23 H 1 0.884 0.020 . 2 . . . . . 288 VAL HG2 . 51674 1 557 . 1 . 1 61 61 VAL C C 13 173.308 0.3 . 1 . . . . . 288 VAL C . 51674 1 558 . 1 . 1 61 61 VAL CA C 13 58.497 0.3 . 1 . . . . . 288 VAL CA . 51674 1 559 . 1 . 1 61 61 VAL CB C 13 36.172 0.3 . 1 . . . . . 288 VAL CB . 51674 1 560 . 1 . 1 61 61 VAL N N 15 112.371 0.3 . 1 . . . . . 288 VAL N . 51674 1 561 . 1 . 1 62 62 LYS H H 1 8.751 0.020 . 1 . . . . . 289 LYS H . 51674 1 562 . 1 . 1 62 62 LYS HA H 1 5.969 0.020 . 1 . . . . . 289 LYS HA . 51674 1 563 . 1 . 1 62 62 LYS HB2 H 1 0.957 0.020 . 1 . . . . . 289 LYS HB2 . 51674 1 564 . 1 . 1 62 62 LYS HB3 H 1 0.957 0.020 . 1 . . . . . 289 LYS HB3 . 51674 1 565 . 1 . 1 62 62 LYS C C 13 174.402 0.3 . 1 . . . . . 289 LYS C . 51674 1 566 . 1 . 1 62 62 LYS CA C 13 54.203 0.3 . 1 . . . . . 289 LYS CA . 51674 1 567 . 1 . 1 62 62 LYS CB C 13 36.473 0.3 . 1 . . . . . 289 LYS CB . 51674 1 568 . 1 . 1 62 62 LYS N N 15 125.695 0.3 . 1 . . . . . 289 LYS N . 51674 1 569 . 1 . 1 63 63 LEU H H 1 8.298 0.020 . 1 . . . . . 290 LEU H . 51674 1 570 . 1 . 1 63 63 LEU HA H 1 5.074 0.020 . 1 . . . . . 290 LEU HA . 51674 1 571 . 1 . 1 63 63 LEU HB2 H 1 3.607 0.020 . 1 . . . . . 290 LEU HB2 . 51674 1 572 . 1 . 1 63 63 LEU HB3 H 1 3.607 0.020 . 1 . . . . . 290 LEU HB3 . 51674 1 573 . 1 . 1 63 63 LEU C C 13 174.402 0.3 . 1 . . . . . 290 LEU C . 51674 1 574 . 1 . 1 63 63 LEU CA C 13 53.096 0.3 . 1 . . . . . 290 LEU CA . 51674 1 575 . 1 . 1 63 63 LEU CB C 13 46.855 0.3 . 1 . . . . . 290 LEU CB . 51674 1 576 . 1 . 1 63 63 LEU N N 15 121.885 0.3 . 1 . . . . . 290 LEU N . 51674 1 577 . 1 . 1 64 64 LYS H H 1 7.812 0.020 . 1 . . . . . 291 LYS H . 51674 1 578 . 1 . 1 64 64 LYS HA H 1 4.706 0.020 . 1 . . . . . 291 LYS HA . 51674 1 579 . 1 . 1 64 64 LYS HB2 H 1 1.228 0.020 . 1 . . . . . 291 LYS HB2 . 51674 1 580 . 1 . 1 64 64 LYS HB3 H 1 1.228 0.020 . 1 . . . . . 291 LYS HB3 . 51674 1 581 . 1 . 1 64 64 LYS C C 13 175.058 0.3 . 1 . . . . . 291 LYS C . 51674 1 582 . 1 . 1 64 64 LYS CA C 13 53.959 0.3 . 1 . . . . . 291 LYS CA . 51674 1 583 . 1 . 1 64 64 LYS CB C 13 36.468 0.3 . 1 . . . . . 291 LYS CB . 51674 1 584 . 1 . 1 64 64 LYS N N 15 120.514 0.3 . 1 . . . . . 291 LYS N . 51674 1 585 . 1 . 1 65 65 PHE H H 1 8.574 0.020 . 1 . . . . . 292 PHE H . 51674 1 586 . 1 . 1 65 65 PHE HA H 1 4.215 0.020 . 1 . . . . . 292 PHE HA . 51674 1 587 . 1 . 1 65 65 PHE HB2 H 1 2.132 0.020 . 2 . . . . . 292 PHE HB2 . 51674 1 588 . 1 . 1 65 65 PHE HB3 H 1 3.831 0.020 . 1 . . . . . 292 PHE HB3 . 51674 1 589 . 1 . 1 65 65 PHE C C 13 176.152 0.3 . 1 . . . . . 292 PHE C . 51674 1 590 . 1 . 1 65 65 PHE CA C 13 57.408 0.3 . 1 . . . . . 292 PHE CA . 51674 1 591 . 1 . 1 65 65 PHE CB C 13 41.875 0.3 . 1 . . . . . 292 PHE CB . 51674 1 592 . 1 . 1 65 65 PHE N N 15 125.551 0.3 . 1 . . . . . 292 PHE N . 51674 1 593 . 1 . 1 66 66 ASP H H 1 7.964 0.020 . 1 . . . . . 293 ASP H . 51674 1 594 . 1 . 1 66 66 ASP HA H 1 3.686 0.020 . 1 . . . . . 293 ASP HA . 51674 1 595 . 1 . 1 66 66 ASP HB2 H 1 2.356 0.020 . 1 . . . . . 293 ASP HB2 . 51674 1 596 . 1 . 1 66 66 ASP HB3 H 1 2.356 0.020 . 1 . . . . . 293 ASP HB3 . 51674 1 597 . 1 . 1 66 66 ASP C C 13 176.738 0.3 . 1 . . . . . 293 ASP C . 51674 1 598 . 1 . 1 66 66 ASP CA C 13 55.220 0.3 . 1 . . . . . 293 ASP CA . 51674 1 599 . 1 . 1 66 66 ASP CB C 13 39.846 0.3 . 1 . . . . . 293 ASP CB . 51674 1 600 . 1 . 1 66 66 ASP N N 15 120.529 0.3 . 1 . . . . . 293 ASP N . 51674 1 601 . 1 . 1 67 67 ASP H H 1 7.553 0.020 . 1 . . . . . 294 ASP H . 51674 1 602 . 1 . 1 67 67 ASP HA H 1 4.395 0.020 . 1 . . . . . 294 ASP HA . 51674 1 603 . 1 . 1 67 67 ASP HB2 H 1 2.469 0.020 . 2 . . . . . 294 ASP HB2 . 51674 1 604 . 1 . 1 67 67 ASP HB3 H 1 3.013 0.020 . 2 . . . . . 294 ASP HB3 . 51674 1 605 . 1 . 1 67 67 ASP C C 13 177.248 0.3 . 1 . . . . . 294 ASP C . 51674 1 606 . 1 . 1 67 67 ASP CA C 13 52.496 0.3 . 1 . . . . . 294 ASP CA . 51674 1 607 . 1 . 1 67 67 ASP CB C 13 39.766 0.3 . 1 . . . . . 294 ASP CB . 51674 1 608 . 1 . 1 67 67 ASP N N 15 119.647 0.3 . 1 . . . . . 294 ASP N . 51674 1 609 . 1 . 1 68 68 PHE H H 1 8.058 0.020 . 1 . . . . . 295 PHE H . 51674 1 610 . 1 . 1 68 68 PHE HA H 1 3.828 0.020 . 1 . . . . . 295 PHE HA . 51674 1 611 . 1 . 1 68 68 PHE HB2 H 1 3.498 0.020 . 1 . . . . . 295 PHE HB2 . 51674 1 612 . 1 . 1 68 68 PHE HB3 H 1 3.498 0.020 . 1 . . . . . 295 PHE HB3 . 51674 1 613 . 1 . 1 68 68 PHE C C 13 175.167 0.3 . 1 . . . . . 295 PHE C . 51674 1 614 . 1 . 1 68 68 PHE CA C 13 60.520 0.3 . 1 . . . . . 295 PHE CA . 51674 1 615 . 1 . 1 68 68 PHE CB C 13 35.567 0.3 . 1 . . . . . 295 PHE CB . 51674 1 616 . 1 . 1 68 68 PHE N N 15 112.389 0.3 . 1 . . . . . 295 PHE N . 51674 1 617 . 1 . 1 69 69 GLN H H 1 8.081 0.020 . 1 . . . . . 296 GLN H . 51674 1 618 . 1 . 1 69 69 GLN HA H 1 4.401 0.020 . 1 . . . . . 296 GLN HA . 51674 1 619 . 1 . 1 69 69 GLN HB2 H 1 2.288 0.020 . 2 . . . . . 296 GLN HB2 . 51674 1 620 . 1 . 1 69 69 GLN HB3 H 1 2.288 0.020 . 1 . . . . . 296 GLN HB3 . 51674 1 621 . 1 . 1 69 69 GLN HG3 H 1 2.388 0.020 . 1 . . . . . 296 GLN HG3 . 51674 1 622 . 1 . 1 69 69 GLN C C 13 174.293 0.3 . 1 . . . . . 296 GLN C . 51674 1 623 . 1 . 1 69 69 GLN CA C 13 56.032 0.3 . 1 . . . . . 296 GLN CA . 51674 1 624 . 1 . 1 69 69 GLN CB C 13 28.991 0.3 . 1 . . . . . 296 GLN CB . 51674 1 625 . 1 . 1 69 69 GLN N N 15 120.365 0.3 . 1 . . . . . 296 GLN N . 51674 1 626 . 1 . 1 70 70 GLN H H 1 8.720 0.020 . 1 . . . . . 297 GLN H . 51674 1 627 . 1 . 1 70 70 GLN HA H 1 5.299 0.020 . 1 . . . . . 297 GLN HA . 51674 1 628 . 1 . 1 70 70 GLN C C 13 174.507 0.3 . 1 . . . . . 297 GLN C . 51674 1 629 . 1 . 1 70 70 GLN CA C 13 54.100 0.3 . 1 . . . . . 297 GLN CA . 51674 1 630 . 1 . 1 70 70 GLN CB C 13 33.183 0.3 . 1 . . . . . 297 GLN CB . 51674 1 631 . 1 . 1 70 70 GLN N N 15 118.784 0.3 . 1 . . . . . 297 GLN N . 51674 1 632 . 1 . 1 71 71 THR H H 1 8.639 0.020 . 1 . . . . . 298 THR H . 51674 1 633 . 1 . 1 71 71 THR HA H 1 3.867 0.020 . 1 . . . . . 298 THR HA . 51674 1 634 . 1 . 1 71 71 THR HB H 1 4.010 0.020 . 1 . . . . . 298 THR HB . 51674 1 635 . 1 . 1 71 71 THR C C 13 171.011 0.3 . 1 . . . . . 298 THR C . 51674 1 636 . 1 . 1 71 71 THR CA C 13 63.290 0.3 . 1 . . . . . 298 THR CA . 51674 1 637 . 1 . 1 71 71 THR CB C 13 70.564 0.3 . 1 . . . . . 298 THR CB . 51674 1 638 . 1 . 1 71 71 THR N N 15 118.120 0.3 . 1 . . . . . 298 THR N . 51674 1 639 . 1 . 1 72 72 THR H H 1 8.029 0.020 . 1 . . . . . 299 THR H . 51674 1 640 . 1 . 1 72 72 THR HA H 1 5.246 0.020 . 1 . . . . . 299 THR HA . 51674 1 641 . 1 . 1 72 72 THR HB H 1 3.874 0.020 . 1 . . . . . 299 THR HB . 51674 1 642 . 1 . 1 72 72 THR HG21 H 1 0.968 0.020 . 1 . . . . . 299 THR HG2 . 51674 1 643 . 1 . 1 72 72 THR HG22 H 1 0.968 0.020 . 1 . . . . . 299 THR HG2 . 51674 1 644 . 1 . 1 72 72 THR HG23 H 1 0.968 0.020 . 1 . . . . . 299 THR HG2 . 51674 1 645 . 1 . 1 72 72 THR C C 13 173.416 0.3 . 1 . . . . . 299 THR C . 51674 1 646 . 1 . 1 72 72 THR CA C 13 60.418 0.3 . 1 . . . . . 299 THR CA . 51674 1 647 . 1 . 1 72 72 THR CB C 13 70.891 0.3 . 1 . . . . . 299 THR CB . 51674 1 648 . 1 . 1 72 72 THR CG2 C 13 20.949 0.3 . 1 . . . . . 299 THR CG2 . 51674 1 649 . 1 . 1 72 72 THR N N 15 122.391 0.3 . 1 . . . . . 299 THR N . 51674 1 650 . 1 . 1 73 73 GLN H H 1 8.525 0.020 . 1 . . . . . 300 GLN H . 51674 1 651 . 1 . 1 73 73 GLN HA H 1 4.620 0.020 . 1 . . . . . 300 GLN HA . 51674 1 652 . 1 . 1 73 73 GLN HB2 H 1 -0.889 0.020 . 1 . . . . . 300 GLN HB2 . 51674 1 653 . 1 . 1 73 73 GLN HB3 H 1 -0.889 0.020 . 1 . . . . . 300 GLN HB3 . 51674 1 654 . 1 . 1 73 73 GLN C C 13 173.418 0.3 . 1 . . . . . 300 GLN C . 51674 1 655 . 1 . 1 73 73 GLN CA C 13 54.511 0.3 . 1 . . . . . 300 GLN CA . 51674 1 656 . 1 . 1 73 73 GLN CB C 13 31.572 0.3 . 1 . . . . . 300 GLN CB . 51674 1 657 . 1 . 1 73 73 GLN N N 15 125.557 0.3 . 1 . . . . . 300 GLN N . 51674 1 658 . 1 . 1 74 74 GLU H H 1 8.605 0.020 . 1 . . . . . 301 GLU H . 51674 1 659 . 1 . 1 74 74 GLU HA H 1 5.071 0.020 . 1 . . . . . 301 GLU HA . 51674 1 660 . 1 . 1 74 74 GLU C C 13 173.964 0.3 . 1 . . . . . 301 GLU C . 51674 1 661 . 1 . 1 74 74 GLU CA C 13 53.943 0.3 . 1 . . . . . 301 GLU CA . 51674 1 662 . 1 . 1 74 74 GLU CB C 13 33.707 0.3 . 1 . . . . . 301 GLU CB . 51674 1 663 . 1 . 1 74 74 GLU N N 15 122.212 0.3 . 1 . . . . . 301 GLU N . 51674 1 664 . 1 . 1 75 75 HIS H H 1 8.261 0.020 . 1 . . . . . 302 HIS H . 51674 1 665 . 1 . 1 75 75 HIS HA H 1 5.071 0.020 . 1 . . . . . 302 HIS HA . 51674 1 666 . 1 . 1 75 75 HIS HB2 H 1 3.414 0.020 . 1 . . . . . 302 HIS HB2 . 51674 1 667 . 1 . 1 75 75 HIS HB3 H 1 3.414 0.020 . 1 . . . . . 302 HIS HB3 . 51674 1 668 . 1 . 1 75 75 HIS C C 13 173.536 0.3 . 1 . . . . . 302 HIS C . 51674 1 669 . 1 . 1 75 75 HIS CA C 13 52.922 0.3 . 1 . . . . . 302 HIS CA . 51674 1 670 . 1 . 1 75 75 HIS CB C 13 32.005 0.3 . 1 . . . . . 302 HIS CB . 51674 1 671 . 1 . 1 75 75 HIS N N 15 115.175 0.3 . 1 . . . . . 302 HIS N . 51674 1 672 . 1 . 1 76 76 VAL H H 1 8.515 0.020 . 1 . . . . . 303 VAL H . 51674 1 673 . 1 . 1 76 76 VAL HA H 1 4.256 0.020 . 1 . . . . . 303 VAL HA . 51674 1 674 . 1 . 1 76 76 VAL HB H 1 1.989 0.020 . 1 . . . . . 303 VAL HB . 51674 1 675 . 1 . 1 76 76 VAL HG11 H 1 0.850 0.020 . 2 . . . . . 303 VAL HG1 . 51674 1 676 . 1 . 1 76 76 VAL HG12 H 1 0.850 0.020 . 2 . . . . . 303 VAL HG1 . 51674 1 677 . 1 . 1 76 76 VAL HG13 H 1 0.850 0.020 . 2 . . . . . 303 VAL HG1 . 51674 1 678 . 1 . 1 76 76 VAL HG21 H 1 1.023 0.020 . 2 . . . . . 303 VAL HG2 . 51674 1 679 . 1 . 1 76 76 VAL HG22 H 1 1.023 0.020 . 2 . . . . . 303 VAL HG2 . 51674 1 680 . 1 . 1 76 76 VAL HG23 H 1 1.023 0.020 . 2 . . . . . 303 VAL HG2 . 51674 1 681 . 1 . 1 76 76 VAL C C 13 175.273 0.3 . 1 . . . . . 303 VAL C . 51674 1 682 . 1 . 1 76 76 VAL CA C 13 63.707 0.3 . 1 . . . . . 303 VAL CA . 51674 1 683 . 1 . 1 76 76 VAL CB C 13 31.705 0.3 . 1 . . . . . 303 VAL CB . 51674 1 684 . 1 . 1 76 76 VAL N N 15 123.482 0.3 . 1 . . . . . 303 VAL N . 51674 1 685 . 1 . 1 77 77 TRP H H 1 7.789 0.020 . 1 . . . . . 304 TRP H . 51674 1 686 . 1 . 1 77 77 TRP C C 13 174.621 0.3 . 1 . . . . . 304 TRP C . 51674 1 687 . 1 . 1 77 77 TRP CA C 13 55.046 0.3 . 1 . . . . . 304 TRP CA . 51674 1 688 . 1 . 1 77 77 TRP CB C 13 33.759 0.3 . 1 . . . . . 304 TRP CB . 51674 1 689 . 1 . 1 77 77 TRP N N 15 131.008 0.3 . 1 . . . . . 304 TRP N . 51674 1 690 . 1 . 1 78 78 PRO HA H 1 4.571 0.020 . 1 . . . . . 305 PRO HA . 51674 1 691 . 1 . 1 78 78 PRO HB2 H 1 1.965 0.020 . 2 . . . . . 305 PRO HB2 . 51674 1 692 . 1 . 1 78 78 PRO HB3 H 1 2.299 0.020 . 2 . . . . . 305 PRO HB3 . 51674 1 693 . 1 . 1 78 78 PRO C C 13 177.027 0.3 . 1 . . . . . 305 PRO C . 51674 1 694 . 1 . 1 78 78 PRO CA C 13 64.085 0.3 . 1 . . . . . 305 PRO CA . 51674 1 695 . 1 . 1 78 78 PRO CB C 13 33.800 0.3 . 1 . . . . . 305 PRO CB . 51674 1 696 . 1 . 1 79 79 ARG H H 1 6.541 0.020 . 1 . . . . . 306 ARG H . 51674 1 697 . 1 . 1 79 79 ARG HA H 1 4.976 0.020 . 1 . . . . . 306 ARG HA . 51674 1 698 . 1 . 1 79 79 ARG HB2 H 1 1.630 0.020 . 1 . . . . . 306 ARG HB2 . 51674 1 699 . 1 . 1 79 79 ARG HB3 H 1 1.630 0.020 . 1 . . . . . 306 ARG HB3 . 51674 1 700 . 1 . 1 79 79 ARG HG2 H 1 1.536 0.020 . 2 . . . . . 306 ARG HG2 . 51674 1 701 . 1 . 1 79 79 ARG HG3 H 1 1.589 0.020 . 2 . . . . . 306 ARG HG3 . 51674 1 702 . 1 . 1 79 79 ARG HD2 H 1 3.142 0.020 . 2 . . . . . 306 ARG HD2 . 51674 1 703 . 1 . 1 79 79 ARG HD3 H 1 3.189 0.020 . 2 . . . . . 306 ARG HD3 . 51674 1 704 . 1 . 1 79 79 ARG C C 13 173.852 0.3 . 1 . . . . . 306 ARG C . 51674 1 705 . 1 . 1 79 79 ARG CA C 13 54.071 0.3 . 1 . . . . . 306 ARG CA . 51674 1 706 . 1 . 1 79 79 ARG CB C 13 34.079 0.3 . 1 . . . . . 306 ARG CB . 51674 1 707 . 1 . 1 79 79 ARG N N 15 117.718 0.3 . 1 . . . . . 306 ARG N . 51674 1 708 . 1 . 1 80 80 LEU H H 1 7.630 0.020 . 1 . . . . . 307 LEU H . 51674 1 709 . 1 . 1 80 80 LEU HA H 1 4.406 0.020 . 1 . . . . . 307 LEU HA . 51674 1 710 . 1 . 1 80 80 LEU C C 13 177.138 0.3 . 1 . . . . . 307 LEU C . 51674 1 711 . 1 . 1 80 80 LEU CA C 13 56.473 0.3 . 1 . . . . . 307 LEU CA . 51674 1 712 . 1 . 1 80 80 LEU CB C 13 42.455 0.3 . 1 . . . . . 307 LEU CB . 51674 1 713 . 1 . 1 80 80 LEU N N 15 125.770 0.3 . 1 . . . . . 307 LEU N . 51674 1 714 . 1 . 1 81 81 ASN H H 1 8.964 0.020 . 1 . . . . . 308 ASN H . 51674 1 715 . 1 . 1 81 81 ASN HA H 1 4.996 0.020 . 1 . . . . . 308 ASN HA . 51674 1 716 . 1 . 1 81 81 ASN C C 13 173.977 0.3 . 1 . . . . . 308 ASN C . 51674 1 717 . 1 . 1 81 81 ASN CA C 13 54.082 0.3 . 1 . . . . . 308 ASN CA . 51674 1 718 . 1 . 1 81 81 ASN CB C 13 42.516 0.3 . 1 . . . . . 308 ASN CB . 51674 1 719 . 1 . 1 81 81 ASN N N 15 126.071 0.3 . 1 . . . . . 308 ASN N . 51674 1 720 . 1 . 1 82 82 LYS H H 1 8.717 0.020 . 1 . . . . . 309 LYS H . 51674 1 721 . 1 . 1 82 82 LYS HA H 1 3.255 0.020 . 1 . . . . . 309 LYS HA . 51674 1 722 . 1 . 1 82 82 LYS HB2 H 1 1.101 0.020 . 1 . . . . . 309 LYS HB2 . 51674 1 723 . 1 . 1 82 82 LYS HB3 H 1 1.101 0.020 . 1 . . . . . 309 LYS HB3 . 51674 1 724 . 1 . 1 82 82 LYS C C 13 176.598 0.3 . 1 . . . . . 309 LYS C . 51674 1 725 . 1 . 1 82 82 LYS CA C 13 60.722 0.3 . 1 . . . . . 309 LYS CA . 51674 1 726 . 1 . 1 82 82 LYS CB C 13 30.481 0.3 . 1 . . . . . 309 LYS CB . 51674 1 727 . 1 . 1 82 82 LYS N N 15 131.214 0.3 . 1 . . . . . 309 LYS N . 51674 1 728 . 1 . 1 83 83 ALA H H 1 8.078 0.020 . 1 . . . . . 310 ALA H . 51674 1 729 . 1 . 1 83 83 ALA HA H 1 3.849 0.020 . 1 . . . . . 310 ALA HA . 51674 1 730 . 1 . 1 83 83 ALA HB1 H 1 1.349 0.020 . 1 . . . . . 310 ALA HB . 51674 1 731 . 1 . 1 83 83 ALA HB2 H 1 1.349 0.020 . 1 . . . . . 310 ALA HB . 51674 1 732 . 1 . 1 83 83 ALA HB3 H 1 1.349 0.020 . 1 . . . . . 310 ALA HB . 51674 1 733 . 1 . 1 83 83 ALA C C 13 180.966 0.3 . 1 . . . . . 310 ALA C . 51674 1 734 . 1 . 1 83 83 ALA CA C 13 55.517 0.3 . 1 . . . . . 310 ALA CA . 51674 1 735 . 1 . 1 83 83 ALA CB C 13 17.181 0.3 . 1 . . . . . 310 ALA CB . 51674 1 736 . 1 . 1 83 83 ALA N N 15 121.697 0.3 . 1 . . . . . 310 ALA N . 51674 1 737 . 1 . 1 84 84 ASP H H 1 8.206 0.020 . 1 . . . . . 311 ASP H . 51674 1 738 . 1 . 1 84 84 ASP HA H 1 4.160 0.020 . 1 . . . . . 311 ASP HA . 51674 1 739 . 1 . 1 84 84 ASP HB2 H 1 1.802 0.020 . 2 . . . . . 311 ASP HB2 . 51674 1 740 . 1 . 1 84 84 ASP HB3 H 1 3.170 0.020 . 1 . . . . . 311 ASP HB3 . 51674 1 741 . 1 . 1 84 84 ASP C C 13 178.446 0.3 . 1 . . . . . 311 ASP C . 51674 1 742 . 1 . 1 84 84 ASP CA C 13 56.988 0.3 . 1 . . . . . 311 ASP CA . 51674 1 743 . 1 . 1 84 84 ASP CB C 13 40.843 0.3 . 1 . . . . . 311 ASP CB . 51674 1 744 . 1 . 1 84 84 ASP N N 15 118.278 0.3 . 1 . . . . . 311 ASP N . 51674 1 745 . 1 . 1 85 85 LEU H H 1 7.318 0.020 . 1 . . . . . 312 LEU H . 51674 1 746 . 1 . 1 85 85 LEU HA H 1 3.820 0.020 . 1 . . . . . 312 LEU HA . 51674 1 747 . 1 . 1 85 85 LEU HB2 H 1 0.855 0.020 . 1 . . . . . 312 LEU HB2 . 51674 1 748 . 1 . 1 85 85 LEU HB3 H 1 0.855 0.020 . 1 . . . . . 312 LEU HB3 . 51674 1 749 . 1 . 1 85 85 LEU HD11 H 1 0.819 0.020 . 2 . . . . . 312 LEU HD1 . 51674 1 750 . 1 . 1 85 85 LEU HD12 H 1 0.819 0.020 . 2 . . . . . 312 LEU HD1 . 51674 1 751 . 1 . 1 85 85 LEU HD13 H 1 0.819 0.020 . 2 . . . . . 312 LEU HD1 . 51674 1 752 . 1 . 1 85 85 LEU HD21 H 1 0.871 0.020 . 2 . . . . . 312 LEU HD2 . 51674 1 753 . 1 . 1 85 85 LEU HD22 H 1 0.871 0.020 . 2 . . . . . 312 LEU HD2 . 51674 1 754 . 1 . 1 85 85 LEU HD23 H 1 0.871 0.020 . 2 . . . . . 312 LEU HD2 . 51674 1 755 . 1 . 1 85 85 LEU C C 13 178.997 0.3 . 1 . . . . . 312 LEU C . 51674 1 756 . 1 . 1 85 85 LEU CA C 13 58.036 0.3 . 1 . . . . . 312 LEU CA . 51674 1 757 . 1 . 1 85 85 LEU CB C 13 41.462 0.3 . 1 . . . . . 312 LEU CB . 51674 1 758 . 1 . 1 85 85 LEU N N 15 123.511 0.3 . 1 . . . . . 312 LEU N . 51674 1 759 . 1 . 1 86 86 ILE H H 1 8.335 0.020 . 1 . . . . . 313 ILE H . 51674 1 760 . 1 . 1 86 86 ILE HA H 1 3.549 0.020 . 1 . . . . . 313 ILE HA . 51674 1 761 . 1 . 1 86 86 ILE HB H 1 0.869 0.020 . 1 . . . . . 313 ILE HB . 51674 1 762 . 1 . 1 86 86 ILE C C 13 177.244 0.3 . 1 . . . . . 313 ILE C . 51674 1 763 . 1 . 1 86 86 ILE CA C 13 66.349 0.3 . 1 . . . . . 313 ILE CA . 51674 1 764 . 1 . 1 86 86 ILE CB C 13 37.120 0.3 . 1 . . . . . 313 ILE CB . 51674 1 765 . 1 . 1 86 86 ILE N N 15 120.055 0.3 . 1 . . . . . 313 ILE N . 51674 1 766 . 1 . 1 87 87 ALA H H 1 7.899 0.020 . 1 . . . . . 314 ALA H . 51674 1 767 . 1 . 1 87 87 ALA HA H 1 3.940 0.020 . 1 . . . . . 314 ALA HA . 51674 1 768 . 1 . 1 87 87 ALA HB1 H 1 1.348 0.020 . 1 . . . . . 314 ALA HB . 51674 1 769 . 1 . 1 87 87 ALA HB2 H 1 1.348 0.020 . 1 . . . . . 314 ALA HB . 51674 1 770 . 1 . 1 87 87 ALA HB3 H 1 1.348 0.020 . 1 . . . . . 314 ALA HB . 51674 1 771 . 1 . 1 87 87 ALA C C 13 181.184 0.3 . 1 . . . . . 314 ALA C . 51674 1 772 . 1 . 1 87 87 ALA CA C 13 54.847 0.3 . 1 . . . . . 314 ALA CA . 51674 1 773 . 1 . 1 87 87 ALA CB C 13 17.772 0.3 . 1 . . . . . 314 ALA CB . 51674 1 774 . 1 . 1 87 87 ALA N N 15 122.059 0.3 . 1 . . . . . 314 ALA N . 51674 1 775 . 1 . 1 88 88 THR H H 1 8.217 0.020 . 1 . . . . . 315 THR H . 51674 1 776 . 1 . 1 88 88 THR HA H 1 3.730 0.020 . 1 . . . . . 315 THR HA . 51674 1 777 . 1 . 1 88 88 THR HB H 1 4.173 0.020 . 1 . . . . . 315 THR HB . 51674 1 778 . 1 . 1 88 88 THR HG21 H 1 4.227 0.020 . 1 . . . . . 315 THR HG2 . 51674 1 779 . 1 . 1 88 88 THR HG22 H 1 4.227 0.020 . 1 . . . . . 315 THR HG2 . 51674 1 780 . 1 . 1 88 88 THR HG23 H 1 4.227 0.020 . 1 . . . . . 315 THR HG2 . 51674 1 781 . 1 . 1 88 88 THR C C 13 177.134 0.3 . 1 . . . . . 315 THR C . 51674 1 782 . 1 . 1 88 88 THR CA C 13 66.398 0.3 . 1 . . . . . 315 THR CA . 51674 1 783 . 1 . 1 88 88 THR CB C 13 68.047 0.3 . 1 . . . . . 315 THR CB . 51674 1 784 . 1 . 1 88 88 THR N N 15 117.745 0.3 . 1 . . . . . 315 THR N . 51674 1 785 . 1 . 1 89 89 ALA H H 1 8.740 0.020 . 1 . . . . . 316 ALA H . 51674 1 786 . 1 . 1 89 89 ALA HA H 1 3.920 0.020 . 1 . . . . . 316 ALA HA . 51674 1 787 . 1 . 1 89 89 ALA HB1 H 1 1.686 0.020 . 1 . . . . . 316 ALA HB . 51674 1 788 . 1 . 1 89 89 ALA HB2 H 1 1.686 0.020 . 1 . . . . . 316 ALA HB . 51674 1 789 . 1 . 1 89 89 ALA HB3 H 1 1.686 0.020 . 1 . . . . . 316 ALA HB . 51674 1 790 . 1 . 1 89 89 ALA C C 13 177.478 0.3 . 1 . . . . . 316 ALA C . 51674 1 791 . 1 . 1 89 89 ALA CA C 13 55.861 0.3 . 1 . . . . . 316 ALA CA . 51674 1 792 . 1 . 1 89 89 ALA CB C 13 18.657 0.3 . 1 . . . . . 316 ALA CB . 51674 1 793 . 1 . 1 89 89 ALA N N 15 128.000 0.3 . 1 . . . . . 316 ALA N . 51674 1 794 . 1 . 1 90 90 ARG H H 1 8.654 0.020 . 1 . . . . . 317 ARG H . 51674 1 795 . 1 . 1 90 90 ARG HA H 1 2.902 0.020 . 1 . . . . . 317 ARG HA . 51674 1 796 . 1 . 1 90 90 ARG HB2 H 1 -2.880 0.020 . 1 . . . . . 317 ARG HB2 . 51674 1 797 . 1 . 1 90 90 ARG HB3 H 1 -2.880 0.020 . 1 . . . . . 317 ARG HB3 . 51674 1 798 . 1 . 1 90 90 ARG C C 13 177.360 0.3 . 1 . . . . . 317 ARG C . 51674 1 799 . 1 . 1 90 90 ARG CA C 13 58.442 0.3 . 1 . . . . . 317 ARG CA . 51674 1 800 . 1 . 1 90 90 ARG CB C 13 28.819 0.3 . 1 . . . . . 317 ARG CB . 51674 1 801 . 1 . 1 90 90 ARG N N 15 121.451 0.3 . 1 . . . . . 317 ARG N . 51674 1 802 . 1 . 1 91 91 LYS H H 1 7.395 0.020 . 1 . . . . . 318 LYS H . 51674 1 803 . 1 . 1 91 91 LYS HA H 1 4.065 0.020 . 1 . . . . . 318 LYS HA . 51674 1 804 . 1 . 1 91 91 LYS HB2 H 1 1.720 0.020 . 1 . . . . . 318 LYS HB2 . 51674 1 805 . 1 . 1 91 91 LYS HB3 H 1 1.720 0.020 . 1 . . . . . 318 LYS HB3 . 51674 1 806 . 1 . 1 91 91 LYS HG2 H 1 1.589 0.020 . 1 . . . . . 318 LYS HG2 . 51674 1 807 . 1 . 1 91 91 LYS HD2 H 1 2.179 0.020 . 2 . . . . . 318 LYS HD2 . 51674 1 808 . 1 . 1 91 91 LYS HD3 H 1 1.835 0.020 . 2 . . . . . 318 LYS HD3 . 51674 1 809 . 1 . 1 91 91 LYS HE3 H 1 2.911 0.020 . 1 . . . . . 318 LYS HE3 . 51674 1 810 . 1 . 1 91 91 LYS C C 13 178.448 0.3 . 1 . . . . . 318 LYS C . 51674 1 811 . 1 . 1 91 91 LYS CA C 13 59.296 0.3 . 1 . . . . . 318 LYS CA . 51674 1 812 . 1 . 1 91 91 LYS CB C 13 32.324 0.3 . 1 . . . . . 318 LYS CB . 51674 1 813 . 1 . 1 91 91 LYS N N 15 119.239 0.3 . 1 . . . . . 318 LYS N . 51674 1 814 . 1 . 1 92 92 THR H H 1 7.694 0.020 . 1 . . . . . 319 THR H . 51674 1 815 . 1 . 1 92 92 THR HA H 1 3.716 0.020 . 1 . . . . . 319 THR HA . 51674 1 816 . 1 . 1 92 92 THR HB H 1 4.189 0.020 . 1 . . . . . 319 THR HB . 51674 1 817 . 1 . 1 92 92 THR HG21 H 1 1.082 0.020 . 1 . . . . . 319 THR HG2 . 51674 1 818 . 1 . 1 92 92 THR HG22 H 1 1.082 0.020 . 1 . . . . . 319 THR HG2 . 51674 1 819 . 1 . 1 92 92 THR HG23 H 1 1.082 0.020 . 1 . . . . . 319 THR HG2 . 51674 1 820 . 1 . 1 92 92 THR C C 13 178.448 0.3 . 1 . . . . . 319 THR C . 51674 1 821 . 1 . 1 92 92 THR CA C 13 67.539 0.3 . 1 . . . . . 319 THR CA . 51674 1 822 . 1 . 1 92 92 THR CB C 13 68.165 0.3 . 1 . . . . . 319 THR CB . 51674 1 823 . 1 . 1 92 92 THR N N 15 116.087 0.3 . 1 . . . . . 319 THR N . 51674 1 824 . 1 . 1 93 93 TRP H H 1 9.093 0.020 . 1 . . . . . 320 TRP H . 51674 1 825 . 1 . 1 93 93 TRP HA H 1 3.778 0.020 . 1 . . . . . 320 TRP HA . 51674 1 826 . 1 . 1 93 93 TRP HB2 H 1 2.244 0.020 . 1 . . . . . 320 TRP HB2 . 51674 1 827 . 1 . 1 93 93 TRP HB3 H 1 2.244 0.020 . 1 . . . . . 320 TRP HB3 . 51674 1 828 . 1 . 1 93 93 TRP C C 13 178.559 0.3 . 1 . . . . . 320 TRP C . 51674 1 829 . 1 . 1 93 93 TRP CA C 13 61.169 0.3 . 1 . . . . . 320 TRP CA . 51674 1 830 . 1 . 1 93 93 TRP CB C 13 32.033 0.3 . 1 . . . . . 320 TRP CB . 51674 1 831 . 1 . 1 93 93 TRP N N 15 124.373 0.3 . 1 . . . . . 320 TRP N . 51674 1 832 . 1 . 1 94 94 ASP H H 1 8.798 0.020 . 1 . . . . . 321 ASP H . 51674 1 833 . 1 . 1 94 94 ASP HA H 1 4.438 0.020 . 1 . . . . . 321 ASP HA . 51674 1 834 . 1 . 1 94 94 ASP HB2 H 1 2.520 0.020 . 2 . . . . . 321 ASP HB2 . 51674 1 835 . 1 . 1 94 94 ASP HB3 H 1 2.520 0.020 . 1 . . . . . 321 ASP HB3 . 51674 1 836 . 1 . 1 94 94 ASP C C 13 179.216 0.3 . 1 . . . . . 321 ASP C . 51674 1 837 . 1 . 1 94 94 ASP CA C 13 57.441 0.3 . 1 . . . . . 321 ASP CA . 51674 1 838 . 1 . 1 94 94 ASP CB C 13 39.821 0.3 . 1 . . . . . 321 ASP CB . 51674 1 839 . 1 . 1 94 94 ASP N N 15 119.922 0.3 . 1 . . . . . 321 ASP N . 51674 1 840 . 1 . 1 95 95 GLU H H 1 8.312 0.020 . 1 . . . . . 322 GLU H . 51674 1 841 . 1 . 1 95 95 GLU HA H 1 4.221 0.020 . 1 . . . . . 322 GLU HA . 51674 1 842 . 1 . 1 95 95 GLU HB2 H 1 1.737 0.020 . 2 . . . . . 322 GLU HB2 . 51674 1 843 . 1 . 1 95 95 GLU HB3 H 1 1.737 0.020 . 1 . . . . . 322 GLU HB3 . 51674 1 844 . 1 . 1 95 95 GLU HG2 H 1 2.163 0.020 . 2 . . . . . 322 GLU HG2 . 51674 1 845 . 1 . 1 95 95 GLU HG3 H 1 2.228 0.020 . 2 . . . . . 322 GLU HG3 . 51674 1 846 . 1 . 1 95 95 GLU C C 13 178.780 0.3 . 1 . . . . . 322 GLU C . 51674 1 847 . 1 . 1 95 95 GLU CA C 13 58.336 0.3 . 1 . . . . . 322 GLU CA . 51674 1 848 . 1 . 1 95 95 GLU CB C 13 30.998 0.3 . 1 . . . . . 322 GLU CB . 51674 1 849 . 1 . 1 95 95 GLU N N 15 116.999 0.3 . 1 . . . . . 322 GLU N . 51674 1 850 . 1 . 1 96 96 ARG H H 1 8.163 0.020 . 1 . . . . . 323 ARG H . 51674 1 851 . 1 . 1 96 96 ARG HA H 1 4.479 0.020 . 1 . . . . . 323 ARG HA . 51674 1 852 . 1 . 1 96 96 ARG HB2 H 1 1.873 0.020 . 2 . . . . . 323 ARG HB2 . 51674 1 853 . 1 . 1 96 96 ARG HB3 H 1 1.873 0.020 . 1 . . . . . 323 ARG HB3 . 51674 1 854 . 1 . 1 96 96 ARG HG2 H 1 1.588 0.020 . 2 . . . . . 323 ARG HG2 . 51674 1 855 . 1 . 1 96 96 ARG HG3 H 1 1.651 0.020 . 2 . . . . . 323 ARG HG3 . 51674 1 856 . 1 . 1 96 96 ARG C C 13 176.701 0.3 . 1 . . . . . 323 ARG C . 51674 1 857 . 1 . 1 96 96 ARG CA C 13 54.952 0.3 . 1 . . . . . 323 ARG CA . 51674 1 858 . 1 . 1 96 96 ARG CB C 13 31.639 0.3 . 1 . . . . . 323 ARG CB . 51674 1 859 . 1 . 1 96 96 ARG N N 15 113.146 0.3 . 1 . . . . . 323 ARG N . 51674 1 860 . 1 . 1 97 97 ARG H H 1 7.150 0.020 . 1 . . . . . 324 ARG H . 51674 1 861 . 1 . 1 97 97 ARG HA H 1 5.446 0.020 . 1 . . . . . 324 ARG HA . 51674 1 862 . 1 . 1 97 97 ARG HB2 H 1 3.221 0.020 . 1 . . . . . 324 ARG HB2 . 51674 1 863 . 1 . 1 97 97 ARG HB3 H 1 3.221 0.020 . 1 . . . . . 324 ARG HB3 . 51674 1 864 . 1 . 1 97 97 ARG C C 13 178.557 0.3 . 1 . . . . . 324 ARG C . 51674 1 865 . 1 . 1 97 97 ARG CA C 13 59.416 0.3 . 1 . . . . . 324 ARG CA . 51674 1 866 . 1 . 1 97 97 ARG CB C 13 32.649 0.3 . 1 . . . . . 324 ARG CB . 51674 1 867 . 1 . 1 97 97 ARG N N 15 120.490 0.3 . 1 . . . . . 324 ARG N . 51674 1 868 . 1 . 1 98 98 GLY H H 1 8.620 0.020 . 1 . . . . . 325 GLY H . 51674 1 869 . 1 . 1 98 98 GLY HA2 H 1 4.076 0.020 . 1 . . . . . 325 GLY HA2 . 51674 1 870 . 1 . 1 98 98 GLY HA3 H 1 4.076 0.020 . 1 . . . . . 325 GLY HA3 . 51674 1 871 . 1 . 1 98 98 GLY C C 13 175.933 0.3 . 1 . . . . . 325 GLY C . 51674 1 872 . 1 . 1 98 98 GLY CA C 13 46.806 0.3 . 1 . . . . . 325 GLY CA . 51674 1 873 . 1 . 1 98 98 GLY N N 15 109.859 0.3 . 1 . . . . . 325 GLY N . 51674 1 874 . 1 . 1 99 99 GLY H H 1 8.339 0.020 . 1 . . . . . 326 GLY H . 51674 1 875 . 1 . 1 99 99 GLY HA2 H 1 3.892 0.020 . 1 . . . . . 326 GLY HA2 . 51674 1 876 . 1 . 1 99 99 GLY HA3 H 1 3.892 0.020 . 1 . . . . . 326 GLY HA3 . 51674 1 877 . 1 . 1 99 99 GLY C C 13 173.746 0.3 . 1 . . . . . 326 GLY C . 51674 1 878 . 1 . 1 99 99 GLY CA C 13 45.023 0.3 . 1 . . . . . 326 GLY CA . 51674 1 879 . 1 . 1 99 99 GLY N N 15 106.319 0.3 . 1 . . . . . 326 GLY N . 51674 1 880 . 1 . 1 100 100 ARG H H 1 6.731 0.020 . 1 . . . . . 327 ARG H . 51674 1 881 . 1 . 1 100 100 ARG HA H 1 4.192 0.020 . 1 . . . . . 327 ARG HA . 51674 1 882 . 1 . 1 100 100 ARG HB2 H 1 1.231 0.020 . 1 . . . . . 327 ARG HB2 . 51674 1 883 . 1 . 1 100 100 ARG HB3 H 1 1.231 0.020 . 1 . . . . . 327 ARG HB3 . 51674 1 884 . 1 . 1 100 100 ARG C C 13 176.809 0.3 . 1 . . . . . 327 ARG C . 51674 1 885 . 1 . 1 100 100 ARG CA C 13 56.416 0.3 . 1 . . . . . 327 ARG CA . 51674 1 886 . 1 . 1 100 100 ARG CB C 13 31.649 0.3 . 1 . . . . . 327 ARG CB . 51674 1 887 . 1 . 1 100 100 ARG N N 15 120.993 0.3 . 1 . . . . . 327 ARG N . 51674 1 888 . 1 . 1 101 101 GLY H H 1 8.281 0.020 . 1 . . . . . 328 GLY H . 51674 1 889 . 1 . 1 101 101 GLY C C 13 172.654 0.3 . 1 . . . . . 328 GLY C . 51674 1 890 . 1 . 1 101 101 GLY CA C 13 44.663 0.3 . 1 . . . . . 328 GLY CA . 51674 1 891 . 1 . 1 101 101 GLY N N 15 108.548 0.3 . 1 . . . . . 328 GLY N . 51674 1 892 . 1 . 1 102 102 VAL H H 1 8.405 0.020 . 1 . . . . . 329 VAL H . 51674 1 893 . 1 . 1 102 102 VAL HA H 1 4.344 0.020 . 1 . . . . . 329 VAL HA . 51674 1 894 . 1 . 1 102 102 VAL HB H 1 1.260 0.020 . 1 . . . . . 329 VAL HB . 51674 1 895 . 1 . 1 102 102 VAL HG11 H 1 0.671 0.020 . 2 . . . . . 329 VAL HG1 . 51674 1 896 . 1 . 1 102 102 VAL HG12 H 1 0.671 0.020 . 2 . . . . . 329 VAL HG1 . 51674 1 897 . 1 . 1 102 102 VAL HG13 H 1 0.671 0.020 . 2 . . . . . 329 VAL HG1 . 51674 1 898 . 1 . 1 102 102 VAL HG21 H 1 0.761 0.020 . 2 . . . . . 329 VAL HG2 . 51674 1 899 . 1 . 1 102 102 VAL HG22 H 1 0.761 0.020 . 2 . . . . . 329 VAL HG2 . 51674 1 900 . 1 . 1 102 102 VAL HG23 H 1 0.761 0.020 . 2 . . . . . 329 VAL HG2 . 51674 1 901 . 1 . 1 102 102 VAL C C 13 173.740 0.3 . 1 . . . . . 329 VAL C . 51674 1 902 . 1 . 1 102 102 VAL CA C 13 62.411 0.3 . 1 . . . . . 329 VAL CA . 51674 1 903 . 1 . 1 102 102 VAL CB C 13 33.144 0.3 . 1 . . . . . 329 VAL CB . 51674 1 904 . 1 . 1 102 102 VAL N N 15 121.806 0.3 . 1 . . . . . 329 VAL N . 51674 1 905 . 1 . 1 103 103 ARG H H 1 8.513 0.020 . 1 . . . . . 330 ARG H . 51674 1 906 . 1 . 1 103 103 ARG HA H 1 4.476 0.020 . 1 . . . . . 330 ARG HA . 51674 1 907 . 1 . 1 103 103 ARG HB2 H 1 1.462 0.020 . 1 . . . . . 330 ARG HB2 . 51674 1 908 . 1 . 1 103 103 ARG HB3 H 1 1.462 0.020 . 1 . . . . . 330 ARG HB3 . 51674 1 909 . 1 . 1 103 103 ARG HG2 H 1 1.349 0.020 . 2 . . . . . 330 ARG HG2 . 51674 1 910 . 1 . 1 103 103 ARG HG3 H 1 1.409 0.020 . 2 . . . . . 330 ARG HG3 . 51674 1 911 . 1 . 1 103 103 ARG C C 13 174.074 0.3 . 1 . . . . . 330 ARG C . 51674 1 912 . 1 . 1 103 103 ARG CA C 13 55.311 0.3 . 1 . . . . . 330 ARG CA . 51674 1 913 . 1 . 1 103 103 ARG CB C 13 32.466 0.3 . 1 . . . . . 330 ARG CB . 51674 1 914 . 1 . 1 103 103 ARG N N 15 126.725 0.3 . 1 . . . . . 330 ARG N . 51674 1 915 . 1 . 1 104 104 LEU H H 1 7.289 0.020 . 1 . . . . . 331 LEU H . 51674 1 916 . 1 . 1 104 104 LEU HA H 1 5.186 0.020 . 1 . . . . . 331 LEU HA . 51674 1 917 . 1 . 1 104 104 LEU HB2 H 1 1.764 0.020 . 1 . . . . . 331 LEU HB2 . 51674 1 918 . 1 . 1 104 104 LEU HB3 H 1 1.764 0.020 . 1 . . . . . 331 LEU HB3 . 51674 1 919 . 1 . 1 104 104 LEU C C 13 174.182 0.3 . 1 . . . . . 331 LEU C . 51674 1 920 . 1 . 1 104 104 LEU CA C 13 54.869 0.3 . 1 . . . . . 331 LEU CA . 51674 1 921 . 1 . 1 104 104 LEU CB C 13 45.637 0.3 . 1 . . . . . 331 LEU CB . 51674 1 922 . 1 . 1 104 104 LEU N N 15 121.881 0.3 . 1 . . . . . 331 LEU N . 51674 1 923 . 1 . 1 105 105 VAL H H 1 7.935 0.020 . 1 . . . . . 332 VAL H . 51674 1 924 . 1 . 1 105 105 VAL HA H 1 4.663 0.020 . 1 . . . . . 332 VAL HA . 51674 1 925 . 1 . 1 105 105 VAL HB H 1 1.672 0.020 . 1 . . . . . 332 VAL HB . 51674 1 926 . 1 . 1 105 105 VAL HG11 H 1 0.713 0.020 . 2 . . . . . 332 VAL HG1 . 51674 1 927 . 1 . 1 105 105 VAL HG12 H 1 0.713 0.020 . 2 . . . . . 332 VAL HG1 . 51674 1 928 . 1 . 1 105 105 VAL HG13 H 1 0.713 0.020 . 2 . . . . . 332 VAL HG1 . 51674 1 929 . 1 . 1 105 105 VAL HG21 H 1 0.863 0.020 . 2 . . . . . 332 VAL HG2 . 51674 1 930 . 1 . 1 105 105 VAL HG22 H 1 0.863 0.020 . 2 . . . . . 332 VAL HG2 . 51674 1 931 . 1 . 1 105 105 VAL HG23 H 1 0.863 0.020 . 2 . . . . . 332 VAL HG2 . 51674 1 932 . 1 . 1 105 105 VAL C C 13 173.528 0.3 . 1 . . . . . 332 VAL C . 51674 1 933 . 1 . 1 105 105 VAL CA C 13 60.741 0.3 . 1 . . . . . 332 VAL CA . 51674 1 934 . 1 . 1 105 105 VAL CB C 13 34.544 0.3 . 1 . . . . . 332 VAL CB . 51674 1 935 . 1 . 1 105 105 VAL N N 15 124.727 0.3 . 1 . . . . . 332 VAL N . 51674 1 936 . 1 . 1 106 106 GLY H H 1 9.199 0.020 . 1 . . . . . 333 GLY H . 51674 1 937 . 1 . 1 106 106 GLY HA2 H 1 3.608 0.020 . 2 . . . . . 333 GLY HA2 . 51674 1 938 . 1 . 1 106 106 GLY HA3 H 1 5.213 0.020 . 2 . . . . . 333 GLY HA3 . 51674 1 939 . 1 . 1 106 106 GLY C C 13 171.667 0.3 . 1 . . . . . 333 GLY C . 51674 1 940 . 1 . 1 106 106 GLY CA C 13 44.259 0.3 . 1 . . . . . 333 GLY CA . 51674 1 941 . 1 . 1 106 106 GLY N N 15 113.984 0.3 . 1 . . . . . 333 GLY N . 51674 1 942 . 1 . 1 107 107 LEU H H 1 8.550 0.020 . 1 . . . . . 334 LEU H . 51674 1 943 . 1 . 1 107 107 LEU HA H 1 5.295 0.020 . 1 . . . . . 334 LEU HA . 51674 1 944 . 1 . 1 107 107 LEU HB2 H 1 2.325 0.020 . 1 . . . . . 334 LEU HB2 . 51674 1 945 . 1 . 1 107 107 LEU HB3 H 1 2.325 0.020 . 1 . . . . . 334 LEU HB3 . 51674 1 946 . 1 . 1 107 107 LEU C C 13 175.605 0.3 . 1 . . . . . 334 LEU C . 51674 1 947 . 1 . 1 107 107 LEU CA C 13 52.701 0.3 . 1 . . . . . 334 LEU CA . 51674 1 948 . 1 . 1 107 107 LEU CB C 13 46.993 0.3 . 1 . . . . . 334 LEU CB . 51674 1 949 . 1 . 1 107 107 LEU N N 15 119.495 0.3 . 1 . . . . . 334 LEU N . 51674 1 950 . 1 . 1 108 108 HIS H H 1 8.336 0.020 . 1 . . . . . 335 HIS H . 51674 1 951 . 1 . 1 108 108 HIS HA H 1 5.496 0.020 . 1 . . . . . 335 HIS HA . 51674 1 952 . 1 . 1 108 108 HIS HB2 H 1 2.854 0.020 . 1 . . . . . 335 HIS HB2 . 51674 1 953 . 1 . 1 108 108 HIS HB3 H 1 2.854 0.020 . 1 . . . . . 335 HIS HB3 . 51674 1 954 . 1 . 1 108 108 HIS C C 13 172.926 0.3 . 1 . . . . . 335 HIS C . 51674 1 955 . 1 . 1 108 108 HIS CA C 13 55.965 0.3 . 1 . . . . . 335 HIS CA . 51674 1 956 . 1 . 1 108 108 HIS CB C 13 34.102 0.3 . 1 . . . . . 335 HIS CB . 51674 1 957 . 1 . 1 108 108 HIS N N 15 118.869 0.3 . 1 . . . . . 335 HIS N . 51674 1 958 . 1 . 1 109 109 VAL H H 1 8.765 0.020 . 1 . . . . . 336 VAL H . 51674 1 959 . 1 . 1 109 109 VAL HA H 1 5.149 0.020 . 1 . . . . . 336 VAL HA . 51674 1 960 . 1 . 1 109 109 VAL C C 13 174.949 0.3 . 1 . . . . . 336 VAL C . 51674 1 961 . 1 . 1 109 109 VAL CA C 13 58.497 0.3 . 1 . . . . . 336 VAL CA . 51674 1 962 . 1 . 1 109 109 VAL CB C 13 34.269 0.3 . 1 . . . . . 336 VAL CB . 51674 1 963 . 1 . 1 109 109 VAL N N 15 111.052 0.3 . 1 . . . . . 336 VAL N . 51674 1 964 . 1 . 1 110 110 THR H H 1 8.640 0.020 . 1 . . . . . 337 THR H . 51674 1 965 . 1 . 1 110 110 THR HA H 1 3.649 0.020 . 1 . . . . . 337 THR HA . 51674 1 966 . 1 . 1 110 110 THR HB H 1 3.741 0.020 . 1 . . . . . 337 THR HB . 51674 1 967 . 1 . 1 110 110 THR C C 13 174.947 0.3 . 1 . . . . . 337 THR C . 51674 1 968 . 1 . 1 110 110 THR CA C 13 61.210 0.3 . 1 . . . . . 337 THR CA . 51674 1 969 . 1 . 1 110 110 THR CB C 13 70.179 0.3 . 1 . . . . . 337 THR CB . 51674 1 970 . 1 . 1 110 110 THR N N 15 118.676 0.3 . 1 . . . . . 337 THR N . 51674 1 971 . 1 . 1 111 111 LEU H H 1 8.612 0.020 . 1 . . . . . 338 LEU H . 51674 1 972 . 1 . 1 111 111 LEU HA H 1 4.459 0.020 . 1 . . . . . 338 LEU HA . 51674 1 973 . 1 . 1 111 111 LEU HB2 H 1 1.599 0.020 . 1 . . . . . 338 LEU HB2 . 51674 1 974 . 1 . 1 111 111 LEU HB3 H 1 1.599 0.020 . 1 . . . . . 338 LEU HB3 . 51674 1 975 . 1 . 1 111 111 LEU HD11 H 1 0.777 0.020 . 2 . . . . . 338 LEU HD1 . 51674 1 976 . 1 . 1 111 111 LEU HD12 H 1 0.777 0.020 . 2 . . . . . 338 LEU HD1 . 51674 1 977 . 1 . 1 111 111 LEU HD13 H 1 0.777 0.020 . 2 . . . . . 338 LEU HD1 . 51674 1 978 . 1 . 1 111 111 LEU HD21 H 1 0.832 0.020 . 2 . . . . . 338 LEU HD2 . 51674 1 979 . 1 . 1 111 111 LEU HD22 H 1 0.832 0.020 . 2 . . . . . 338 LEU HD2 . 51674 1 980 . 1 . 1 111 111 LEU HD23 H 1 0.832 0.020 . 2 . . . . . 338 LEU HD2 . 51674 1 981 . 1 . 1 111 111 LEU C C 13 176.918 0.3 . 1 . . . . . 338 LEU C . 51674 1 982 . 1 . 1 111 111 LEU CA C 13 54.797 0.3 . 1 . . . . . 338 LEU CA . 51674 1 983 . 1 . 1 111 111 LEU CB C 13 41.759 0.3 . 1 . . . . . 338 LEU CB . 51674 1 984 . 1 . 1 111 111 LEU N N 15 126.683 0.3 . 1 . . . . . 338 LEU N . 51674 1 985 . 1 . 1 112 112 LEU H H 1 8.881 0.020 . 1 . . . . . 339 LEU H . 51674 1 986 . 1 . 1 112 112 LEU HA H 1 3.850 0.020 . 1 . . . . . 339 LEU HA . 51674 1 987 . 1 . 1 112 112 LEU HB2 H 1 1.344 0.020 . 1 . . . . . 339 LEU HB2 . 51674 1 988 . 1 . 1 112 112 LEU HB3 H 1 1.344 0.020 . 1 . . . . . 339 LEU HB3 . 51674 1 989 . 1 . 1 112 112 LEU HD11 H 1 0.743 0.020 . 2 . . . . . 339 LEU HD1 . 51674 1 990 . 1 . 1 112 112 LEU HD12 H 1 0.743 0.020 . 2 . . . . . 339 LEU HD1 . 51674 1 991 . 1 . 1 112 112 LEU HD13 H 1 0.743 0.020 . 2 . . . . . 339 LEU HD1 . 51674 1 992 . 1 . 1 112 112 LEU HD21 H 1 0.762 0.020 . 2 . . . . . 339 LEU HD2 . 51674 1 993 . 1 . 1 112 112 LEU HD22 H 1 0.762 0.020 . 2 . . . . . 339 LEU HD2 . 51674 1 994 . 1 . 1 112 112 LEU HD23 H 1 0.762 0.020 . 2 . . . . . 339 LEU HD2 . 51674 1 995 . 1 . 1 112 112 LEU C C 13 176.889 0.3 . 1 . . . . . 339 LEU C . 51674 1 996 . 1 . 1 112 112 LEU CA C 13 55.513 0.3 . 1 . . . . . 339 LEU CA . 51674 1 997 . 1 . 1 112 112 LEU CB C 13 42.808 0.3 . 1 . . . . . 339 LEU CB . 51674 1 998 . 1 . 1 112 112 LEU N N 15 121.933 0.3 . 1 . . . . . 339 LEU N . 51674 1 999 . 1 . 1 113 113 ASP H H 1 8.188 0.020 . 1 . . . . . 340 ASP H . 51674 1 1000 . 1 . 1 113 113 ASP C C 13 174.622 0.3 . 1 . . . . . 340 ASP C . 51674 1 1001 . 1 . 1 113 113 ASP CA C 13 51.770 0.3 . 1 . . . . . 340 ASP CA . 51674 1 1002 . 1 . 1 113 113 ASP CB C 13 41.398 0.3 . 1 . . . . . 340 ASP CB . 51674 1 1003 . 1 . 1 113 113 ASP N N 15 123.099 0.3 . 1 . . . . . 340 ASP N . 51674 1 1004 . 1 . 1 114 114 PRO HA H 1 4.321 0.020 . 1 . . . . . 341 PRO HA . 51674 1 1005 . 1 . 1 114 114 PRO HB2 H 1 1.881 0.020 . 1 . . . . . 341 PRO HB2 . 51674 1 1006 . 1 . 1 114 114 PRO HB3 H 1 1.881 0.020 . 1 . . . . . 341 PRO HB3 . 51674 1 1007 . 1 . 1 114 114 PRO C C 13 177.575 0.3 . 1 . . . . . 341 PRO C . 51674 1 1008 . 1 . 1 114 114 PRO CA C 13 63.883 0.3 . 1 . . . . . 341 PRO CA . 51674 1 1009 . 1 . 1 114 114 PRO CB C 13 31.924 0.3 . 1 . . . . . 341 PRO CB . 51674 1 1010 . 1 . 1 115 115 GLN H H 1 8.317 0.020 . 1 . . . . . 342 GLN H . 51674 1 1011 . 1 . 1 115 115 GLN HA H 1 4.166 0.020 . 1 . . . . . 342 GLN HA . 51674 1 1012 . 1 . 1 115 115 GLN HB2 H 1 2.025 0.020 . 2 . . . . . 342 GLN HB2 . 51674 1 1013 . 1 . 1 115 115 GLN HB3 H 1 1.972 0.020 . 1 . . . . . 342 GLN HB3 . 51674 1 1014 . 1 . 1 115 115 GLN HG2 H 1 2.169 0.020 . 2 . . . . . 342 GLN HG2 . 51674 1 1015 . 1 . 1 115 115 GLN HG3 H 1 2.268 0.020 . 2 . . . . . 342 GLN HG3 . 51674 1 1016 . 1 . 1 115 115 GLN C C 13 176.699 0.3 . 1 . . . . . 342 GLN C . 51674 1 1017 . 1 . 1 115 115 GLN CA C 13 56.565 0.3 . 1 . . . . . 342 GLN CA . 51674 1 1018 . 1 . 1 115 115 GLN CB C 13 28.955 0.3 . 1 . . . . . 342 GLN CB . 51674 1 1019 . 1 . 1 115 115 GLN N N 15 118.954 0.3 . 1 . . . . . 342 GLN N . 51674 1 1020 . 1 . 1 116 116 MET H H 1 7.964 0.020 . 1 . . . . . 343 MET H . 51674 1 1021 . 1 . 1 116 116 MET HA H 1 4.225 0.020 . 1 . . . . . 343 MET HA . 51674 1 1022 . 1 . 1 116 116 MET HB2 H 1 1.770 0.020 . 2 . . . . . 343 MET HB2 . 51674 1 1023 . 1 . 1 116 116 MET HB3 H 1 1.770 0.020 . 1 . . . . . 343 MET HB3 . 51674 1 1024 . 1 . 1 116 116 MET HG2 H 1 2.055 0.020 . 2 . . . . . 343 MET HG2 . 51674 1 1025 . 1 . 1 116 116 MET HG3 H 1 2.182 0.020 . 2 . . . . . 343 MET HG3 . 51674 1 1026 . 1 . 1 116 116 MET C C 13 176.702 0.3 . 1 . . . . . 343 MET C . 51674 1 1027 . 1 . 1 116 116 MET CA C 13 55.668 0.3 . 1 . . . . . 343 MET CA . 51674 1 1028 . 1 . 1 116 116 MET CB C 13 32.425 0.3 . 1 . . . . . 343 MET CB . 51674 1 1029 . 1 . 1 116 116 MET N N 15 120.739 0.3 . 1 . . . . . 343 MET N . 51674 1 1030 . 1 . 1 117 117 GLU H H 1 8.140 0.020 . 1 . . . . . 344 GLU H . 51674 1 1031 . 1 . 1 117 117 GLU HA H 1 4.087 0.020 . 1 . . . . . 344 GLU HA . 51674 1 1032 . 1 . 1 117 117 GLU HB2 H 1 1.827 0.020 . 2 . . . . . 344 GLU HB2 . 51674 1 1033 . 1 . 1 117 117 GLU HB3 H 1 2.034 0.020 . 2 . . . . . 344 GLU HB3 . 51674 1 1034 . 1 . 1 117 117 GLU HG2 H 1 2.214 0.020 . 2 . . . . . 344 GLU HG2 . 51674 1 1035 . 1 . 1 117 117 GLU HG3 H 1 2.214 0.020 . 2 . . . . . 344 GLU HG3 . 51674 1 1036 . 1 . 1 117 117 GLU C C 13 176.655 0.3 . 1 . . . . . 344 GLU C . 51674 1 1037 . 1 . 1 117 117 GLU CA C 13 57.347 0.3 . 1 . . . . . 344 GLU CA . 51674 1 1038 . 1 . 1 117 117 GLU CB C 13 29.580 0.3 . 1 . . . . . 344 GLU CB . 51674 1 1039 . 1 . 1 117 117 GLU N N 15 121.867 0.3 . 1 . . . . . 344 GLU N . 51674 1 1040 . 1 . 1 118 118 ARG H H 1 7.982 0.020 . 1 . . . . . 345 ARG H . 51674 1 1041 . 1 . 1 118 118 ARG HA H 1 4.161 0.020 . 1 . . . . . 345 ARG HA . 51674 1 1042 . 1 . 1 118 118 ARG HB2 H 1 1.729 0.020 . 2 . . . . . 345 ARG HB2 . 51674 1 1043 . 1 . 1 118 118 ARG HB3 H 1 1.729 0.020 . 2 . . . . . 345 ARG HB3 . 51674 1 1044 . 1 . 1 118 118 ARG HG3 H 1 1.501 0.020 . 1 . . . . . 345 ARG HG3 . 51674 1 1045 . 1 . 1 118 118 ARG HD3 H 1 3.123 0.020 . 1 . . . . . 345 ARG HD3 . 51674 1 1046 . 1 . 1 118 118 ARG C C 13 176.441 0.3 . 1 . . . . . 345 ARG C . 51674 1 1047 . 1 . 1 118 118 ARG CA C 13 56.791 0.3 . 1 . . . . . 345 ARG CA . 51674 1 1048 . 1 . 1 118 118 ARG CB C 13 30.177 0.3 . 1 . . . . . 345 ARG CB . 51674 1 1049 . 1 . 1 118 118 ARG N N 15 121.120 0.3 . 1 . . . . . 345 ARG N . 51674 1 1050 . 1 . 1 119 119 GLN H H 1 8.064 0.020 . 1 . . . . . 346 GLN H . 51674 1 1051 . 1 . 1 119 119 GLN HA H 1 4.211 0.020 . 1 . . . . . 346 GLN HA . 51674 1 1052 . 1 . 1 119 119 GLN HB2 H 1 1.964 0.020 . 2 . . . . . 346 GLN HB2 . 51674 1 1053 . 1 . 1 119 119 GLN HB3 H 1 1.964 0.020 . 2 . . . . . 346 GLN HB3 . 51674 1 1054 . 1 . 1 119 119 GLN HG2 H 1 2.172 0.020 . 2 . . . . . 346 GLN HG2 . 51674 1 1055 . 1 . 1 119 119 GLN HG3 H 1 2.268 0.020 . 2 . . . . . 346 GLN HG3 . 51674 1 1056 . 1 . 1 119 119 GLN C C 13 176.152 0.3 . 1 . . . . . 346 GLN C . 51674 1 1057 . 1 . 1 119 119 GLN CA C 13 56.144 0.3 . 1 . . . . . 346 GLN CA . 51674 1 1058 . 1 . 1 119 119 GLN CB C 13 28.968 0.3 . 1 . . . . . 346 GLN CB . 51674 1 1059 . 1 . 1 119 119 GLN N N 15 120.837 0.3 . 1 . . . . . 346 GLN N . 51674 1 1060 . 1 . 1 120 120 LEU H H 1 7.988 0.020 . 1 . . . . . 347 LEU H . 51674 1 1061 . 1 . 1 120 120 LEU HA H 1 4.104 0.020 . 1 . . . . . 347 LEU HA . 51674 1 1062 . 1 . 1 120 120 LEU HB2 H 1 1.496 0.020 . 1 . . . . . 347 LEU HB2 . 51674 1 1063 . 1 . 1 120 120 LEU HB3 H 1 1.496 0.020 . 1 . . . . . 347 LEU HB3 . 51674 1 1064 . 1 . 1 120 120 LEU HD11 H 1 0.775 0.020 . 2 . . . . . 347 LEU HD1 . 51674 1 1065 . 1 . 1 120 120 LEU HD12 H 1 0.775 0.020 . 2 . . . . . 347 LEU HD1 . 51674 1 1066 . 1 . 1 120 120 LEU HD13 H 1 0.775 0.020 . 2 . . . . . 347 LEU HD1 . 51674 1 1067 . 1 . 1 120 120 LEU HD21 H 1 0.823 0.020 . 2 . . . . . 347 LEU HD2 . 51674 1 1068 . 1 . 1 120 120 LEU HD22 H 1 0.823 0.020 . 2 . . . . . 347 LEU HD2 . 51674 1 1069 . 1 . 1 120 120 LEU HD23 H 1 0.823 0.020 . 2 . . . . . 347 LEU HD2 . 51674 1 1070 . 1 . 1 120 120 LEU C C 13 177.355 0.3 . 1 . . . . . 347 LEU C . 51674 1 1071 . 1 . 1 120 120 LEU CA C 13 55.062 0.3 . 1 . . . . . 347 LEU CA . 51674 1 1072 . 1 . 1 120 120 LEU CB C 13 42.203 0.3 . 1 . . . . . 347 LEU CB . 51674 1 1073 . 1 . 1 120 120 LEU N N 15 123.233 0.3 . 1 . . . . . 347 LEU N . 51674 1 1074 . 1 . 1 121 121 VAL H H 1 7.892 0.020 . 1 . . . . . 348 VAL H . 51674 1 1075 . 1 . 1 121 121 VAL HA H 1 3.982 0.020 . 1 . . . . . 348 VAL HA . 51674 1 1076 . 1 . 1 121 121 VAL HB H 1 1.996 0.020 . 1 . . . . . 348 VAL HB . 51674 1 1077 . 1 . 1 121 121 VAL HG21 H 1 0.850 0.020 . 1 . . . . . 348 VAL HG2 . 51674 1 1078 . 1 . 1 121 121 VAL HG22 H 1 0.850 0.020 . 1 . . . . . 348 VAL HG2 . 51674 1 1079 . 1 . 1 121 121 VAL HG23 H 1 0.850 0.020 . 1 . . . . . 348 VAL HG2 . 51674 1 1080 . 1 . 1 121 121 VAL C C 13 176.043 0.3 . 1 . . . . . 348 VAL C . 51674 1 1081 . 1 . 1 121 121 VAL CA C 13 62.471 0.3 . 1 . . . . . 348 VAL CA . 51674 1 1082 . 1 . 1 121 121 VAL CB C 13 32.272 0.3 . 1 . . . . . 348 VAL CB . 51674 1 1083 . 1 . 1 121 121 VAL N N 15 121.528 0.3 . 1 . . . . . 348 VAL N . 51674 1 1084 . 1 . 1 122 122 LEU H H 1 8.064 0.020 . 1 . . . . . 349 LEU H . 51674 1 1085 . 1 . 1 122 122 LEU HA H 1 4.228 0.020 . 1 . . . . . 349 LEU HA . 51674 1 1086 . 1 . 1 122 122 LEU HB2 H 1 1.498 0.020 . 1 . . . . . 349 LEU HB2 . 51674 1 1087 . 1 . 1 122 122 LEU HB3 H 1 1.498 0.020 . 1 . . . . . 349 LEU HB3 . 51674 1 1088 . 1 . 1 122 122 LEU HD11 H 1 0.774 0.020 . 2 . . . . . 349 LEU HD1 . 51674 1 1089 . 1 . 1 122 122 LEU HD12 H 1 0.774 0.020 . 2 . . . . . 349 LEU HD1 . 51674 1 1090 . 1 . 1 122 122 LEU HD13 H 1 0.774 0.020 . 2 . . . . . 349 LEU HD1 . 51674 1 1091 . 1 . 1 122 122 LEU HD21 H 1 0.816 0.020 . 2 . . . . . 349 LEU HD2 . 51674 1 1092 . 1 . 1 122 122 LEU HD22 H 1 0.816 0.020 . 2 . . . . . 349 LEU HD2 . 51674 1 1093 . 1 . 1 122 122 LEU HD23 H 1 0.816 0.020 . 2 . . . . . 349 LEU HD2 . 51674 1 1094 . 1 . 1 122 122 LEU C C 13 177.574 0.3 . 1 . . . . . 349 LEU C . 51674 1 1095 . 1 . 1 122 122 LEU CA C 13 55.316 0.3 . 1 . . . . . 349 LEU CA . 51674 1 1096 . 1 . 1 122 122 LEU CB C 13 43.143 0.3 . 1 . . . . . 349 LEU CB . 51674 1 1097 . 1 . 1 122 122 LEU N N 15 125.615 0.3 . 1 . . . . . 349 LEU N . 51674 1 1098 . 1 . 1 123 123 GLY H H 1 8.100 0.020 . 1 . . . . . 350 GLY H . 51674 1 1099 . 1 . 1 123 123 GLY HA2 H 1 3.842 0.020 . 1 . . . . . 350 GLY HA2 . 51674 1 1100 . 1 . 1 123 123 GLY HA3 H 1 3.842 0.020 . 1 . . . . . 350 GLY HA3 . 51674 1 1101 . 1 . 1 123 123 GLY C C 13 173.102 0.3 . 1 . . . . . 350 GLY C . 51674 1 1102 . 1 . 1 123 123 GLY CA C 13 45.294 0.3 . 1 . . . . . 350 GLY CA . 51674 1 1103 . 1 . 1 123 123 GLY N N 15 110.046 0.3 . 1 . . . . . 350 GLY N . 51674 1 1104 . 1 . 1 124 124 LEU H H 1 7.512 0.020 . 1 . . . . . 351 LEU H . 51674 1 1105 . 1 . 1 124 124 LEU C C 13 182.389 0.3 . 1 . . . . . 351 LEU C . 51674 1 1106 . 1 . 1 124 124 LEU CA C 13 56.167 0.3 . 1 . . . . . 351 LEU CA . 51674 1 1107 . 1 . 1 124 124 LEU CB C 13 43.026 0.3 . 1 . . . . . 351 LEU CB . 51674 1 1108 . 1 . 1 124 124 LEU N N 15 127.518 0.3 . 1 . . . . . 351 LEU N . 51674 1 stop_ save_