data_27523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27523 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the pRN1 helix bundle domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-15 _Entry.Accession_date 2018-06-15 _Entry.Last_release_date 2018-06-15 _Entry.Original_release_date 2018-06-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Julien Boudet . . . . 27523 2 Georg Lipps . . . . 27523 3 Frederic Allain . . . . 27523 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Allain group; ETH Zurich' . 27523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 27523 '15N chemical shifts' 102 27523 '1H chemical shifts' 693 27523 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-07-10 . original BMRB . 27523 stop_ save_ ############### # Citations # ############### save_citation_hbd _Citation.Sf_category citations _Citation.Sf_framecode citation_hbd _Citation.Entry_ID 27523 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A small helical bundle prepares primer synthesis by binding two ATP nucleotides that enhance sequence-specific recognition of the DNA tempate ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julien Boudet . . . . 27523 1 2 Jean-Christophe Devillier . . . . 27523 1 3 Thomas Wiegand . . . . 27523 1 4 Loic Salmon . . . . 27523 1 5 Beat Meier . . . . 27523 1 6 Georg Lipps . . . . 27523 1 7 Frederic Allain . . . . 27523 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR study' 27523 1 'dinucleotide formation' 27523 1 primase 27523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27523 _Assembly.ID 1 _Assembly.Name 'free helix bundle domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'helix bundle domain' 1 $free_helix_bundle_domain A . yes native no no . . . 27523 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Nucleotides binding' 27523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_free_helix_bundle_domain _Entity.Sf_category entity _Entity.Sf_framecode free_helix_bundle_domain _Entity.Entry_ID 27523 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name free_helix_bundle_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TVVEFEELRKELVKRDSGKP VEKIKEEICTKSPPKLIKEI ICENKTYADVNIDRSRGDWH VILYLMKHGVTDPDKILELL PRDSKAKENEKWNTQKYFVI TLSKAWSVVKKYLEA ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding' 27523 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 256 THR . 27523 1 2 257 VAL . 27523 1 3 258 VAL . 27523 1 4 259 GLU . 27523 1 5 260 PHE . 27523 1 6 261 GLU . 27523 1 7 262 GLU . 27523 1 8 263 LEU . 27523 1 9 264 ARG . 27523 1 10 265 LYS . 27523 1 11 266 GLU . 27523 1 12 267 LEU . 27523 1 13 268 VAL . 27523 1 14 269 LYS . 27523 1 15 270 ARG . 27523 1 16 271 ASP . 27523 1 17 272 SER . 27523 1 18 273 GLY . 27523 1 19 274 LYS . 27523 1 20 275 PRO . 27523 1 21 276 VAL . 27523 1 22 277 GLU . 27523 1 23 278 LYS . 27523 1 24 279 ILE . 27523 1 25 280 LYS . 27523 1 26 281 GLU . 27523 1 27 282 GLU . 27523 1 28 283 ILE . 27523 1 29 284 CYS . 27523 1 30 285 THR . 27523 1 31 286 LYS . 27523 1 32 287 SER . 27523 1 33 288 PRO . 27523 1 34 289 PRO . 27523 1 35 290 LYS . 27523 1 36 291 LEU . 27523 1 37 292 ILE . 27523 1 38 293 LYS . 27523 1 39 294 GLU . 27523 1 40 295 ILE . 27523 1 41 296 ILE . 27523 1 42 297 CYS . 27523 1 43 298 GLU . 27523 1 44 299 ASN . 27523 1 45 300 LYS . 27523 1 46 301 THR . 27523 1 47 302 TYR . 27523 1 48 303 ALA . 27523 1 49 304 ASP . 27523 1 50 305 VAL . 27523 1 51 306 ASN . 27523 1 52 307 ILE . 27523 1 53 308 ASP . 27523 1 54 309 ARG . 27523 1 55 310 SER . 27523 1 56 311 ARG . 27523 1 57 312 GLY . 27523 1 58 313 ASP . 27523 1 59 314 TRP . 27523 1 60 315 HIS . 27523 1 61 316 VAL . 27523 1 62 317 ILE . 27523 1 63 318 LEU . 27523 1 64 319 TYR . 27523 1 65 320 LEU . 27523 1 66 321 MET . 27523 1 67 322 LYS . 27523 1 68 323 HIS . 27523 1 69 324 GLY . 27523 1 70 325 VAL . 27523 1 71 326 THR . 27523 1 72 327 ASP . 27523 1 73 328 PRO . 27523 1 74 329 ASP . 27523 1 75 330 LYS . 27523 1 76 331 ILE . 27523 1 77 332 LEU . 27523 1 78 333 GLU . 27523 1 79 334 LEU . 27523 1 80 335 LEU . 27523 1 81 336 PRO . 27523 1 82 337 ARG . 27523 1 83 338 ASP . 27523 1 84 339 SER . 27523 1 85 340 LYS . 27523 1 86 341 ALA . 27523 1 87 342 LYS . 27523 1 88 343 GLU . 27523 1 89 344 ASN . 27523 1 90 345 GLU . 27523 1 91 346 LYS . 27523 1 92 347 TRP . 27523 1 93 348 ASN . 27523 1 94 349 THR . 27523 1 95 350 GLN . 27523 1 96 351 LYS . 27523 1 97 352 TYR . 27523 1 98 353 PHE . 27523 1 99 354 VAL . 27523 1 100 355 ILE . 27523 1 101 356 THR . 27523 1 102 357 LEU . 27523 1 103 358 SER . 27523 1 104 359 LYS . 27523 1 105 360 ALA . 27523 1 106 361 TRP . 27523 1 107 362 SER . 27523 1 108 363 VAL . 27523 1 109 364 VAL . 27523 1 110 365 LYS . 27523 1 111 366 LYS . 27523 1 112 367 TYR . 27523 1 113 368 LEU . 27523 1 114 369 GLU . 27523 1 115 370 ALA . 27523 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 . THR 1 1 27523 1 . VAL 2 2 27523 1 . VAL 3 3 27523 1 . GLU 4 4 27523 1 . PHE 5 5 27523 1 . GLU 6 6 27523 1 . GLU 7 7 27523 1 . LEU 8 8 27523 1 . ARG 9 9 27523 1 . LYS 10 10 27523 1 . GLU 11 11 27523 1 . LEU 12 12 27523 1 . VAL 13 13 27523 1 . LYS 14 14 27523 1 . ARG 15 15 27523 1 . ASP 16 16 27523 1 . SER 17 17 27523 1 . GLY 18 18 27523 1 . LYS 19 19 27523 1 . PRO 20 20 27523 1 . VAL 21 21 27523 1 . GLU 22 22 27523 1 . LYS 23 23 27523 1 . ILE 24 24 27523 1 . LYS 25 25 27523 1 . GLU 26 26 27523 1 . GLU 27 27 27523 1 . ILE 28 28 27523 1 . CYS 29 29 27523 1 . THR 30 30 27523 1 . LYS 31 31 27523 1 . SER 32 32 27523 1 . PRO 33 33 27523 1 . PRO 34 34 27523 1 . LYS 35 35 27523 1 . LEU 36 36 27523 1 . ILE 37 37 27523 1 . LYS 38 38 27523 1 . GLU 39 39 27523 1 . ILE 40 40 27523 1 . ILE 41 41 27523 1 . CYS 42 42 27523 1 . GLU 43 43 27523 1 . ASN 44 44 27523 1 . LYS 45 45 27523 1 . THR 46 46 27523 1 . TYR 47 47 27523 1 . ALA 48 48 27523 1 . ASP 49 49 27523 1 . VAL 50 50 27523 1 . ASN 51 51 27523 1 . ILE 52 52 27523 1 . ASP 53 53 27523 1 . ARG 54 54 27523 1 . SER 55 55 27523 1 . ARG 56 56 27523 1 . GLY 57 57 27523 1 . ASP 58 58 27523 1 . TRP 59 59 27523 1 . HIS 60 60 27523 1 . VAL 61 61 27523 1 . ILE 62 62 27523 1 . LEU 63 63 27523 1 . TYR 64 64 27523 1 . LEU 65 65 27523 1 . MET 66 66 27523 1 . LYS 67 67 27523 1 . HIS 68 68 27523 1 . GLY 69 69 27523 1 . VAL 70 70 27523 1 . THR 71 71 27523 1 . ASP 72 72 27523 1 . PRO 73 73 27523 1 . ASP 74 74 27523 1 . LYS 75 75 27523 1 . ILE 76 76 27523 1 . LEU 77 77 27523 1 . GLU 78 78 27523 1 . LEU 79 79 27523 1 . LEU 80 80 27523 1 . PRO 81 81 27523 1 . ARG 82 82 27523 1 . ASP 83 83 27523 1 . SER 84 84 27523 1 . LYS 85 85 27523 1 . ALA 86 86 27523 1 . LYS 87 87 27523 1 . GLU 88 88 27523 1 . ASN 89 89 27523 1 . GLU 90 90 27523 1 . LYS 91 91 27523 1 . TRP 92 92 27523 1 . ASN 93 93 27523 1 . THR 94 94 27523 1 . GLN 95 95 27523 1 . LYS 96 96 27523 1 . TYR 97 97 27523 1 . PHE 98 98 27523 1 . VAL 99 99 27523 1 . ILE 100 100 27523 1 . THR 101 101 27523 1 . LEU 102 102 27523 1 . SER 103 103 27523 1 . LYS 104 104 27523 1 . ALA 105 105 27523 1 . TRP 106 106 27523 1 . SER 107 107 27523 1 . VAL 108 108 27523 1 . VAL 109 109 27523 1 . LYS 110 110 27523 1 . LYS 111 111 27523 1 . TYR 112 112 27523 1 . LEU 113 113 27523 1 . GLU 114 114 27523 1 . ALA 115 115 27523 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27523 _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 $free_helix_bundle_domain . 43080 organism . 'Sulfolobus islandicus' 'Sulfolobus islandicus' . . Archaea 'TACK group' Sulfolobus islandicus . . . . . . . . . . . 'pRN1 plasmid' . 27523 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27523 _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 $free_helix_bundle_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 27523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27523 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'free helix bundle domain' '[U-99% 13C; U-99% 15N]' . . 1 $free_helix_bundle_domain . . 0.7-1.2 . . mM 0.1 . . . 27523 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27523 1 3 acetate 'natural abundance' . . . . . . 25 . . mM . . . . 27523 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27523 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'free helix bundle domain' '[U-100% 13C]' . . 1 $free_helix_bundle_domain . . 0.7-1.2 . . mM 0.1 . . . 27523 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27523 2 3 acetate 'natural abundance' . . . . . . 25 . . mM . . . . 27523 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27523 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'free helix bundle domain' '[U-99% 15N]' . . 1 $free_helix_bundle_domain . . 0.7-1.2 . . mM . . . . 27523 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27523 3 3 acetate 'natural abundance' . . . . . . 25 . . mM . . . . 27523 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27523 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Na2HPO4 25mM NaCl 50mM ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 27523 1 pH 7.0 . pH 27523 1 pressure 1 . atm 27523 1 temperature 298 . K 27523 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27523 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; acetate 25mM NaCl 100mM ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 27523 2 pH 5.0 . pH 27523 2 pressure 1 . atm 27523 2 temperature 298 . K 27523 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27523 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27523 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 27523 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27523 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27523 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27523 2 stop_ save_ save_Atnos-Candid _Software.Sf_category software _Software.Sf_framecode Atnos-Candid _Software.Entry_ID 27523 _Software.ID 3 _Software.Type . _Software.Name Atnos-Candid _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 27523 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27523 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 27523 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version 12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 27523 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 27523 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27523 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27523 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27523 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AvanceIII . 900 . . . 27523 1 2 spectrometer_2 Bruker AvanceIII . 700 . . . 27523 1 3 spectrometer_3 Bruker AvanceIII . 600 . . . 27523 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27523 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27523 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27523 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27523 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27523 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 27523 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 27523 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 27523 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27523 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27523 1 2 '2D 1H-13C HSQC aliphatic' . . . 27523 1 3 '2D 1H-13C HSQC aromatic' . . . 27523 1 6 '3D CBCA(CO)NH' . . . 27523 1 7 '3D HNCACB' . . . 27523 1 8 '3D HNCA' . . . 27523 1 10 '3D HN(CO)CA' . . . 27523 1 11 '3D 1H-13C NOESY aliphatic' . . . 27523 1 13 '3D 1H-15N NOESY' . . . 27523 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 THR CA C 13 61.620 . . . . . . . . 256 T CA . 27523 1 2 . 1 1 1 1 THR CB C 13 70.300 . . . . . . . . 256 T CB . 27523 1 3 . 1 1 1 1 THR CG2 C 13 21.730 . . . . . . . . 256 T CG2 . 27523 1 4 . 1 1 2 2 VAL H H 1 8.258 . . . . . . . . 257 V H . 27523 1 5 . 1 1 2 2 VAL HA H 1 4.364 . . . . . . . . 257 V HA . 27523 1 6 . 1 1 2 2 VAL HB H 1 2.075 . . . . . . . . 257 V HB . 27523 1 7 . 1 1 2 2 VAL HG11 H 1 1.180 . . . . . . . . 257 V QG1 . 27523 1 8 . 1 1 2 2 VAL HG12 H 1 1.180 . . . . . . . . 257 V QG1 . 27523 1 9 . 1 1 2 2 VAL HG13 H 1 1.180 . . . . . . . . 257 V QG1 . 27523 1 10 . 1 1 2 2 VAL HG21 H 1 0.922 . . . . . . . . 257 V QG2 . 27523 1 11 . 1 1 2 2 VAL HG22 H 1 0.922 . . . . . . . . 257 V QG2 . 27523 1 12 . 1 1 2 2 VAL HG23 H 1 0.922 . . . . . . . . 257 V QG2 . 27523 1 13 . 1 1 2 2 VAL CA C 13 64.251 . . . . . . . . 257 V CA . 27523 1 14 . 1 1 2 2 VAL CB C 13 32.118 . . . . . . . . 257 V CB . 27523 1 15 . 1 1 2 2 VAL CG1 C 13 21.766 . . . . . . . . 257 V CG1 . 27523 1 16 . 1 1 2 2 VAL CG2 C 13 21.339 . . . . . . . . 257 V CG2 . 27523 1 17 . 1 1 2 2 VAL N N 15 122.551 . . . . . . . . 257 V N . 27523 1 18 . 1 1 3 3 VAL H H 1 7.923 . . . . . . . . 258 V H . 27523 1 19 . 1 1 3 3 VAL HA H 1 3.965 . . . . . . . . 258 V HA . 27523 1 20 . 1 1 3 3 VAL HB H 1 1.966 . . . . . . . . 258 V HB . 27523 1 21 . 1 1 3 3 VAL HG11 H 1 0.905 . . . . . . . . 258 V QG1 . 27523 1 22 . 1 1 3 3 VAL HG12 H 1 0.905 . . . . . . . . 258 V QG1 . 27523 1 23 . 1 1 3 3 VAL HG13 H 1 0.905 . . . . . . . . 258 V QG1 . 27523 1 24 . 1 1 3 3 VAL HG21 H 1 0.943 . . . . . . . . 258 V QG2 . 27523 1 25 . 1 1 3 3 VAL HG22 H 1 0.943 . . . . . . . . 258 V QG2 . 27523 1 26 . 1 1 3 3 VAL HG23 H 1 0.943 . . . . . . . . 258 V QG2 . 27523 1 27 . 1 1 3 3 VAL CA C 13 64.618 . . . . . . . . 258 V CA . 27523 1 28 . 1 1 3 3 VAL CB C 13 32.189 . . . . . . . . 258 V CB . 27523 1 29 . 1 1 3 3 VAL CG2 C 13 21.633 . . . . . . . . 258 V CG2 . 27523 1 30 . 1 1 3 3 VAL N N 15 122.554 . . . . . . . . 258 V N . 27523 1 31 . 1 1 4 4 GLU H H 1 8.245 . . . . . . . . 259 E H . 27523 1 32 . 1 1 4 4 GLU HA H 1 4.130 . . . . . . . . 259 E HA . 27523 1 33 . 1 1 4 4 GLU HG2 H 1 2.241 . . . . . . . . 259 E QG . 27523 1 34 . 1 1 4 4 GLU HG3 H 1 2.241 . . . . . . . . 259 E QG . 27523 1 35 . 1 1 4 4 GLU CA C 13 58.281 . . . . . . . . 259 E CA . 27523 1 36 . 1 1 4 4 GLU CB C 13 29.713 . . . . . . . . 259 E CB . 27523 1 37 . 1 1 4 4 GLU CG C 13 36.854 . . . . . . . . 259 E CG . 27523 1 38 . 1 1 4 4 GLU N N 15 121.842 . . . . . . . . 259 E N . 27523 1 39 . 1 1 5 5 PHE H H 1 8.456 . . . . . . . . 260 F H . 27523 1 40 . 1 1 5 5 PHE HB2 H 1 3.148 . . . . . . . . 260 F QB . 27523 1 41 . 1 1 5 5 PHE HB3 H 1 3.148 . . . . . . . . 260 F QB . 27523 1 42 . 1 1 5 5 PHE CA C 13 59.818 . . . . . . . . 260 F CA . 27523 1 43 . 1 1 5 5 PHE CB C 13 38.998 . . . . . . . . 260 F CB . 27523 1 44 . 1 1 5 5 PHE N N 15 121.035 . . . . . . . . 260 F N . 27523 1 45 . 1 1 6 6 GLU H H 1 8.257 . . . . . . . . 261 E H . 27523 1 46 . 1 1 6 6 GLU HG2 H 1 2.291 . . . . . . . . 261 E QG . 27523 1 47 . 1 1 6 6 GLU HG3 H 1 2.291 . . . . . . . . 261 E QG . 27523 1 48 . 1 1 6 6 GLU CA C 13 59.374 . . . . . . . . 261 E CA . 27523 1 49 . 1 1 6 6 GLU CB C 13 28.908 . . . . . . . . 261 E CB . 27523 1 50 . 1 1 6 6 GLU CG C 13 35.959 . . . . . . . . 261 E CG . 27523 1 51 . 1 1 6 6 GLU N N 15 119.181 . . . . . . . . 261 E N . 27523 1 52 . 1 1 7 7 GLU H H 1 7.829 . . . . . . . . 262 E H . 27523 1 53 . 1 1 7 7 GLU HA H 1 3.930 . . . . . . . . 262 E HA . 27523 1 54 . 1 1 7 7 GLU HB2 H 1 2.097 . . . . . . . . 262 E HB2 . 27523 1 55 . 1 1 7 7 GLU HB3 H 1 1.974 . . . . . . . . 262 E HB3 . 27523 1 56 . 1 1 7 7 GLU HG2 H 1 2.291 . . . . . . . . 262 E HG2 . 27523 1 57 . 1 1 7 7 GLU HG3 H 1 2.206 . . . . . . . . 262 E HG3 . 27523 1 58 . 1 1 7 7 GLU CA C 13 58.987 . . . . . . . . 262 E CA . 27523 1 59 . 1 1 7 7 GLU CB C 13 29.043 . . . . . . . . 262 E CB . 27523 1 60 . 1 1 7 7 GLU CG C 13 36.181 . . . . . . . . 262 E CG . 27523 1 61 . 1 1 7 7 GLU N N 15 117.757 . . . . . . . . 262 E N . 27523 1 62 . 1 1 8 8 LEU H H 1 7.616 . . . . . . . . 263 L H . 27523 1 63 . 1 1 8 8 LEU HA H 1 4.070 . . . . . . . . 263 L HA . 27523 1 64 . 1 1 8 8 LEU HB2 H 1 1.712 . . . . . . . . 263 L HB2 . 27523 1 65 . 1 1 8 8 LEU HB3 H 1 1.480 . . . . . . . . 263 L HB3 . 27523 1 66 . 1 1 8 8 LEU HG H 1 1.194 . . . . . . . . 263 L HG . 27523 1 67 . 1 1 8 8 LEU HD11 H 1 0.824 . . . . . . . . 263 L QD1 . 27523 1 68 . 1 1 8 8 LEU HD12 H 1 0.824 . . . . . . . . 263 L QD1 . 27523 1 69 . 1 1 8 8 LEU HD13 H 1 0.824 . . . . . . . . 263 L QD1 . 27523 1 70 . 1 1 8 8 LEU HD21 H 1 0.744 . . . . . . . . 263 L QD2 . 27523 1 71 . 1 1 8 8 LEU HD22 H 1 0.744 . . . . . . . . 263 L QD2 . 27523 1 72 . 1 1 8 8 LEU HD23 H 1 0.744 . . . . . . . . 263 L QD2 . 27523 1 73 . 1 1 8 8 LEU CA C 13 57.473 . . . . . . . . 263 L CA . 27523 1 74 . 1 1 8 8 LEU CB C 13 41.090 . . . . . . . . 263 L CB . 27523 1 75 . 1 1 8 8 LEU CG C 13 27.075 . . . . . . . . 263 L CG . 27523 1 76 . 1 1 8 8 LEU CD1 C 13 26.441 . . . . . . . . 263 L CD1 . 27523 1 77 . 1 1 8 8 LEU CD2 C 13 23.024 . . . . . . . . 263 L CD2 . 27523 1 78 . 1 1 8 8 LEU N N 15 122.323 . . . . . . . . 263 L N . 27523 1 79 . 1 1 9 9 ARG H H 1 8.512 . . . . . . . . 264 R H . 27523 1 80 . 1 1 9 9 ARG HB2 H 1 1.516 . . . . . . . . 264 R HB2 . 27523 1 81 . 1 1 9 9 ARG HB3 H 1 1.124 . . . . . . . . 264 R HB3 . 27523 1 82 . 1 1 9 9 ARG HG2 H 1 1.318 . . . . . . . . 264 R HG2 . 27523 1 83 . 1 1 9 9 ARG HG3 H 1 1.182 . . . . . . . . 264 R HG3 . 27523 1 84 . 1 1 9 9 ARG HD2 H 1 3.014 . . . . . . . . 264 R HD2 . 27523 1 85 . 1 1 9 9 ARG HD3 H 1 2.921 . . . . . . . . 264 R HD3 . 27523 1 86 . 1 1 9 9 ARG CA C 13 60.363 . . . . . . . . 264 R CA . 27523 1 87 . 1 1 9 9 ARG CB C 13 29.436 . . . . . . . . 264 R CB . 27523 1 88 . 1 1 9 9 ARG CG C 13 27.331 . . . . . . . . 264 R CG . 27523 1 89 . 1 1 9 9 ARG CD C 13 42.994 . . . . . . . . 264 R CD . 27523 1 90 . 1 1 9 9 ARG N N 15 118.763 . . . . . . . . 264 R N . 27523 1 91 . 1 1 10 10 LYS H H 1 7.470 . . . . . . . . 265 K H . 27523 1 92 . 1 1 10 10 LYS HB2 H 1 1.755 . . . . . . . . 265 K HB2 . 27523 1 93 . 1 1 10 10 LYS HB3 H 1 1.717 . . . . . . . . 265 K HB3 . 27523 1 94 . 1 1 10 10 LYS HG2 H 1 1.569 . . . . . . . . 265 K HG2 . 27523 1 95 . 1 1 10 10 LYS HG3 H 1 1.278 . . . . . . . . 265 K HG3 . 27523 1 96 . 1 1 10 10 LYS HD2 H 1 1.585 . . . . . . . . 265 K HD2 . 27523 1 97 . 1 1 10 10 LYS HD3 H 1 1.520 . . . . . . . . 265 K HD3 . 27523 1 98 . 1 1 10 10 LYS HE2 H 1 2.841 . . . . . . . . 265 K QE . 27523 1 99 . 1 1 10 10 LYS HE3 H 1 2.841 . . . . . . . . 265 K QE . 27523 1 100 . 1 1 10 10 LYS CA C 13 59.880 . . . . . . . . 265 K CA . 27523 1 101 . 1 1 10 10 LYS CB C 13 32.533 . . . . . . . . 265 K CB . 27523 1 102 . 1 1 10 10 LYS CG C 13 25.578 . . . . . . . . 265 K CG . 27523 1 103 . 1 1 10 10 LYS CD C 13 29.498 . . . . . . . . 265 K CD . 27523 1 104 . 1 1 10 10 LYS CE C 13 41.981 . . . . . . . . 265 K CE . 27523 1 105 . 1 1 10 10 LYS N N 15 115.409 . . . . . . . . 265 K N . 27523 1 106 . 1 1 11 11 GLU H H 1 7.280 . . . . . . . . 266 E H . 27523 1 107 . 1 1 11 11 GLU HA H 1 3.877 . . . . . . . . 266 E HA . 27523 1 108 . 1 1 11 11 GLU HB2 H 1 2.123 . . . . . . . . 266 E HB2 . 27523 1 109 . 1 1 11 11 GLU HB3 H 1 1.984 . . . . . . . . 266 E HB3 . 27523 1 110 . 1 1 11 11 GLU HG2 H 1 2.164 . . . . . . . . 266 E HG2 . 27523 1 111 . 1 1 11 11 GLU HG3 H 1 2.102 . . . . . . . . 266 E HG3 . 27523 1 112 . 1 1 11 11 GLU CA C 13 58.936 . . . . . . . . 266 E CA . 27523 1 113 . 1 1 11 11 GLU CB C 13 29.434 . . . . . . . . 266 E CB . 27523 1 114 . 1 1 11 11 GLU CG C 13 35.681 . . . . . . . . 266 E CG . 27523 1 115 . 1 1 11 11 GLU N N 15 120.186 . . . . . . . . 266 E N . 27523 1 116 . 1 1 12 12 LEU H H 1 8.168 . . . . . . . . 267 L H . 27523 1 117 . 1 1 12 12 LEU HA H 1 3.161 . . . . . . . . 267 L HA . 27523 1 118 . 1 1 12 12 LEU HB2 H 1 1.796 . . . . . . . . 267 L HB2 . 27523 1 119 . 1 1 12 12 LEU HB3 H 1 1.411 . . . . . . . . 267 L HB3 . 27523 1 120 . 1 1 12 12 LEU HG H 1 1.204 . . . . . . . . 267 L HG . 27523 1 121 . 1 1 12 12 LEU HD11 H 1 0.425 . . . . . . . . 267 L QD1 . 27523 1 122 . 1 1 12 12 LEU HD12 H 1 0.425 . . . . . . . . 267 L QD1 . 27523 1 123 . 1 1 12 12 LEU HD13 H 1 0.425 . . . . . . . . 267 L QD1 . 27523 1 124 . 1 1 12 12 LEU HD21 H 1 -0.343 . . . . . . . . 267 L QD2 . 27523 1 125 . 1 1 12 12 LEU HD22 H 1 -0.343 . . . . . . . . 267 L QD2 . 27523 1 126 . 1 1 12 12 LEU HD23 H 1 -0.343 . . . . . . . . 267 L QD2 . 27523 1 127 . 1 1 12 12 LEU CA C 13 57.551 . . . . . . . . 267 L CA . 27523 1 128 . 1 1 12 12 LEU CB C 13 39.324 . . . . . . . . 267 L CB . 27523 1 129 . 1 1 12 12 LEU CG C 13 26.151 . . . . . . . . 267 L CG . 27523 1 130 . 1 1 12 12 LEU CD1 C 13 25.963 . . . . . . . . 267 L CD1 . 27523 1 131 . 1 1 12 12 LEU CD2 C 13 20.542 . . . . . . . . 267 L CD2 . 27523 1 132 . 1 1 12 12 LEU N N 15 118.427 . . . . . . . . 267 L N . 27523 1 133 . 1 1 13 13 VAL H H 1 8.425 . . . . . . . . 268 V H . 27523 1 134 . 1 1 13 13 VAL HA H 1 3.341 . . . . . . . . 268 V HA . 27523 1 135 . 1 1 13 13 VAL HB H 1 1.973 . . . . . . . . 268 V HB . 27523 1 136 . 1 1 13 13 VAL HG11 H 1 0.939 . . . . . . . . 268 V QG1 . 27523 1 137 . 1 1 13 13 VAL HG12 H 1 0.939 . . . . . . . . 268 V QG1 . 27523 1 138 . 1 1 13 13 VAL HG13 H 1 0.939 . . . . . . . . 268 V QG1 . 27523 1 139 . 1 1 13 13 VAL HG21 H 1 0.852 . . . . . . . . 268 V QG2 . 27523 1 140 . 1 1 13 13 VAL HG22 H 1 0.852 . . . . . . . . 268 V QG2 . 27523 1 141 . 1 1 13 13 VAL HG23 H 1 0.852 . . . . . . . . 268 V QG2 . 27523 1 142 . 1 1 13 13 VAL CA C 13 67.356 . . . . . . . . 268 V CA . 27523 1 143 . 1 1 13 13 VAL CB C 13 31.508 . . . . . . . . 268 V CB . 27523 1 144 . 1 1 13 13 VAL CG1 C 13 23.119 . . . . . . . . 268 V CG1 . 27523 1 145 . 1 1 13 13 VAL CG2 C 13 21.235 . . . . . . . . 268 V CG2 . 27523 1 146 . 1 1 13 13 VAL N N 15 118.988 . . . . . . . . 268 V N . 27523 1 147 . 1 1 14 14 LYS H H 1 7.332 . . . . . . . . 269 K H . 27523 1 148 . 1 1 14 14 LYS HA H 1 3.963 . . . . . . . . 269 K HA . 27523 1 149 . 1 1 14 14 LYS HB2 H 1 1.845 . . . . . . . . 269 K QB . 27523 1 150 . 1 1 14 14 LYS HB3 H 1 1.845 . . . . . . . . 269 K QB . 27523 1 151 . 1 1 14 14 LYS HG2 H 1 1.467 . . . . . . . . 269 K HG2 . 27523 1 152 . 1 1 14 14 LYS HG3 H 1 1.375 . . . . . . . . 269 K HG3 . 27523 1 153 . 1 1 14 14 LYS HD2 H 1 1.601 . . . . . . . . 269 K QD . 27523 1 154 . 1 1 14 14 LYS HD3 H 1 1.601 . . . . . . . . 269 K QD . 27523 1 155 . 1 1 14 14 LYS HE2 H 1 2.859 . . . . . . . . 269 K QE . 27523 1 156 . 1 1 14 14 LYS HE3 H 1 2.859 . . . . . . . . 269 K QE . 27523 1 157 . 1 1 14 14 LYS CA C 13 58.853 . . . . . . . . 269 K CA . 27523 1 158 . 1 1 14 14 LYS CB C 13 32.312 . . . . . . . . 269 K CB . 27523 1 159 . 1 1 14 14 LYS CG C 13 25.023 . . . . . . . . 269 K CG . 27523 1 160 . 1 1 14 14 LYS CD C 13 29.416 . . . . . . . . 269 K CD . 27523 1 161 . 1 1 14 14 LYS CE C 13 42.022 . . . . . . . . 269 K CE . 27523 1 162 . 1 1 14 14 LYS N N 15 119.649 . . . . . . . . 269 K N . 27523 1 163 . 1 1 15 15 ARG H H 1 7.307 . . . . . . . . 270 R H . 27523 1 164 . 1 1 15 15 ARG HA H 1 4.179 . . . . . . . . 270 R HA . 27523 1 165 . 1 1 15 15 ARG HB2 H 1 1.944 . . . . . . . . 270 R HB2 . 27523 1 166 . 1 1 15 15 ARG HB3 H 1 1.539 . . . . . . . . 270 R HB3 . 27523 1 167 . 1 1 15 15 ARG HG2 H 1 1.719 . . . . . . . . 270 R QG . 27523 1 168 . 1 1 15 15 ARG HG3 H 1 1.719 . . . . . . . . 270 R QG . 27523 1 169 . 1 1 15 15 ARG HD2 H 1 3.205 . . . . . . . . 270 R HD2 . 27523 1 170 . 1 1 15 15 ARG HD3 H 1 3.089 . . . . . . . . 270 R HD3 . 27523 1 171 . 1 1 15 15 ARG CA C 13 54.679 . . . . . . . . 270 R CA . 27523 1 172 . 1 1 15 15 ARG CB C 13 29.921 . . . . . . . . 270 R CB . 27523 1 173 . 1 1 15 15 ARG CG C 13 27.083 . . . . . . . . 270 R CG . 27523 1 174 . 1 1 15 15 ARG CD C 13 42.819 . . . . . . . . 270 R CD . 27523 1 175 . 1 1 15 15 ARG N N 15 115.008 . . . . . . . . 270 R N . 27523 1 176 . 1 1 16 16 ASP H H 1 6.832 . . . . . . . . 271 D H . 27523 1 177 . 1 1 16 16 ASP HB2 H 1 2.689 . . . . . . . . 271 D HB2 . 27523 1 178 . 1 1 16 16 ASP HB3 H 1 2.657 . . . . . . . . 271 D HB3 . 27523 1 179 . 1 1 16 16 ASP CA C 13 56.190 . . . . . . . . 271 D CA . 27523 1 180 . 1 1 16 16 ASP CB C 13 44.911 . . . . . . . . 271 D CB . 27523 1 181 . 1 1 16 16 ASP N N 15 121.539 . . . . . . . . 271 D N . 27523 1 182 . 1 1 17 17 SER H H 1 8.595 . . . . . . . . 272 S H . 27523 1 183 . 1 1 17 17 SER HA H 1 4.616 . . . . . . . . 272 S HA . 27523 1 184 . 1 1 17 17 SER CA C 13 59.853 . . . . . . . . 272 S CA . 27523 1 185 . 1 1 17 17 SER CB C 13 64.263 . . . . . . . . 272 S CB . 27523 1 186 . 1 1 17 17 SER N N 15 118.219 . . . . . . . . 272 S N . 27523 1 187 . 1 1 18 18 GLY H H 1 8.836 . . . . . . . . 273 G H . 27523 1 188 . 1 1 18 18 GLY HA2 H 1 4.053 . . . . . . . . 273 G HA2 . 27523 1 189 . 1 1 18 18 GLY HA3 H 1 3.664 . . . . . . . . 273 G HA3 . 27523 1 190 . 1 1 18 18 GLY CA C 13 45.883 . . . . . . . . 273 G CA . 27523 1 191 . 1 1 18 18 GLY N N 15 111.441 . . . . . . . . 273 G N . 27523 1 192 . 1 1 19 19 LYS H H 1 7.809 . . . . . . . . 274 K H . 27523 1 193 . 1 1 19 19 LYS HA H 1 4.571 . . . . . . . . 274 K HA . 27523 1 194 . 1 1 19 19 LYS N N 15 121.128 . . . . . . . . 274 K N . 27523 1 195 . 1 1 20 20 PRO HB2 H 1 2.384 . . . . . . . . 275 P HB2 . 27523 1 196 . 1 1 20 20 PRO HB3 H 1 1.986 . . . . . . . . 275 P HB3 . 27523 1 197 . 1 1 20 20 PRO HG2 H 1 2.095 . . . . . . . . 275 P HG2 . 27523 1 198 . 1 1 20 20 PRO HG3 H 1 1.945 . . . . . . . . 275 P HG3 . 27523 1 199 . 1 1 20 20 PRO CA C 13 61.809 . . . . . . . . 275 P CA . 27523 1 200 . 1 1 20 20 PRO CB C 13 32.247 . . . . . . . . 275 P CB . 27523 1 201 . 1 1 20 20 PRO CG C 13 27.722 . . . . . . . . 275 P CG . 27523 1 202 . 1 1 20 20 PRO CD C 13 50.378 . . . . . . . . 275 P CD . 27523 1 203 . 1 1 21 21 VAL H H 1 8.940 . . . . . . . . 276 V H . 27523 1 204 . 1 1 21 21 VAL HA H 1 4.588 . . . . . . . . 276 V HA . 27523 1 205 . 1 1 21 21 VAL HB H 1 1.968 . . . . . . . . 276 V HB . 27523 1 206 . 1 1 21 21 VAL HG11 H 1 0.967 . . . . . . . . 276 V QG1 . 27523 1 207 . 1 1 21 21 VAL HG12 H 1 0.967 . . . . . . . . 276 V QG1 . 27523 1 208 . 1 1 21 21 VAL HG13 H 1 0.967 . . . . . . . . 276 V QG1 . 27523 1 209 . 1 1 21 21 VAL HG21 H 1 0.842 . . . . . . . . 276 V QG2 . 27523 1 210 . 1 1 21 21 VAL HG22 H 1 0.842 . . . . . . . . 276 V QG2 . 27523 1 211 . 1 1 21 21 VAL HG23 H 1 0.842 . . . . . . . . 276 V QG2 . 27523 1 212 . 1 1 21 21 VAL CA C 13 67.595 . . . . . . . . 276 V CA . 27523 1 213 . 1 1 21 21 VAL CB C 13 31.528 . . . . . . . . 276 V CB . 27523 1 214 . 1 1 21 21 VAL CG1 C 13 22.563 . . . . . . . . 276 V CG1 . 27523 1 215 . 1 1 21 21 VAL CG2 C 13 21.310 . . . . . . . . 276 V CG2 . 27523 1 216 . 1 1 21 21 VAL N N 15 122.293 . . . . . . . . 276 V N . 27523 1 217 . 1 1 22 22 GLU H H 1 9.258 . . . . . . . . 277 E H . 27523 1 218 . 1 1 22 22 GLU HA H 1 3.922 . . . . . . . . 277 E HA . 27523 1 219 . 1 1 22 22 GLU HB2 H 1 1.939 . . . . . . . . 277 E QB . 27523 1 220 . 1 1 22 22 GLU HB3 H 1 1.939 . . . . . . . . 277 E QB . 27523 1 221 . 1 1 22 22 GLU HG2 H 1 2.255 . . . . . . . . 277 E QG . 27523 1 222 . 1 1 22 22 GLU HG3 H 1 2.255 . . . . . . . . 277 E QG . 27523 1 223 . 1 1 22 22 GLU CA C 13 60.090 . . . . . . . . 277 E CA . 27523 1 224 . 1 1 22 22 GLU CB C 13 28.716 . . . . . . . . 277 E CB . 27523 1 225 . 1 1 22 22 GLU CG C 13 36.211 . . . . . . . . 277 E CG . 27523 1 226 . 1 1 22 22 GLU N N 15 117.309 . . . . . . . . 277 E N . 27523 1 227 . 1 1 23 23 LYS H H 1 6.987 . . . . . . . . 278 K H . 27523 1 228 . 1 1 23 23 LYS HB2 H 1 1.901 . . . . . . . . 278 K HB2 . 27523 1 229 . 1 1 23 23 LYS HB3 H 1 1.860 . . . . . . . . 278 K HB3 . 27523 1 230 . 1 1 23 23 LYS HG2 H 1 1.447 . . . . . . . . 278 K HG2 . 27523 1 231 . 1 1 23 23 LYS HG3 H 1 1.436 . . . . . . . . 278 K HG3 . 27523 1 232 . 1 1 23 23 LYS HD2 H 1 2.094 . . . . . . . . 278 K HD2 . 27523 1 233 . 1 1 23 23 LYS HD3 H 1 1.945 . . . . . . . . 278 K HD3 . 27523 1 234 . 1 1 23 23 LYS HE2 H 1 2.898 . . . . . . . . 278 K QE . 27523 1 235 . 1 1 23 23 LYS HE3 H 1 2.898 . . . . . . . . 278 K QE . 27523 1 236 . 1 1 23 23 LYS CA C 13 56.976 . . . . . . . . 278 K CA . 27523 1 237 . 1 1 23 23 LYS CB C 13 31.960 . . . . . . . . 278 K CB . 27523 1 238 . 1 1 23 23 LYS CG C 13 24.305 . . . . . . . . 278 K CG . 27523 1 239 . 1 1 23 23 LYS CD C 13 27.743 . . . . . . . . 278 K CD . 27523 1 240 . 1 1 23 23 LYS CE C 13 41.907 . . . . . . . . 278 K CE . 27523 1 241 . 1 1 23 23 LYS N N 15 119.259 . . . . . . . . 278 K N . 27523 1 242 . 1 1 24 24 ILE H H 1 7.957 . . . . . . . . 279 I H . 27523 1 243 . 1 1 24 24 ILE HA H 1 3.541 . . . . . . . . 279 I HA . 27523 1 244 . 1 1 24 24 ILE HB H 1 1.903 . . . . . . . . 279 I HB . 27523 1 245 . 1 1 24 24 ILE HG12 H 1 1.427 . . . . . . . . 279 I HG12 . 27523 1 246 . 1 1 24 24 ILE HG13 H 1 0.825 . . . . . . . . 279 I HG13 . 27523 1 247 . 1 1 24 24 ILE HG21 H 1 0.742 . . . . . . . . 279 I QG2 . 27523 1 248 . 1 1 24 24 ILE HG22 H 1 0.742 . . . . . . . . 279 I QG2 . 27523 1 249 . 1 1 24 24 ILE HG23 H 1 0.742 . . . . . . . . 279 I QG2 . 27523 1 250 . 1 1 24 24 ILE HD11 H 1 0.819 . . . . . . . . 279 I QD1 . 27523 1 251 . 1 1 24 24 ILE HD12 H 1 0.819 . . . . . . . . 279 I QD1 . 27523 1 252 . 1 1 24 24 ILE HD13 H 1 0.819 . . . . . . . . 279 I QD1 . 27523 1 253 . 1 1 24 24 ILE CA C 13 65.250 . . . . . . . . 279 I CA . 27523 1 254 . 1 1 24 24 ILE CB C 13 38.152 . . . . . . . . 279 I CB . 27523 1 255 . 1 1 24 24 ILE CG1 C 13 28.428 . . . . . . . . 279 I CG1 . 27523 1 256 . 1 1 24 24 ILE CG2 C 13 18.250 . . . . . . . . 279 I CG2 . 27523 1 257 . 1 1 24 24 ILE CD1 C 13 14.694 . . . . . . . . 279 I CD1 . 27523 1 258 . 1 1 24 24 ILE N N 15 121.983 . . . . . . . . 279 I N . 27523 1 259 . 1 1 25 25 LYS H H 1 8.092 . . . . . . . . 280 K H . 27523 1 260 . 1 1 25 25 LYS HB2 H 1 1.739 . . . . . . . . 280 K HB2 . 27523 1 261 . 1 1 25 25 LYS HB3 H 1 1.669 . . . . . . . . 280 K HB3 . 27523 1 262 . 1 1 25 25 LYS HG2 H 1 1.536 . . . . . . . . 280 K HG2 . 27523 1 263 . 1 1 25 25 LYS HD2 H 1 1.602 . . . . . . . . 280 K QD . 27523 1 264 . 1 1 25 25 LYS HD3 H 1 1.602 . . . . . . . . 280 K QD . 27523 1 265 . 1 1 25 25 LYS HE2 H 1 2.850 . . . . . . . . 280 K QE . 27523 1 266 . 1 1 25 25 LYS HE3 H 1 2.850 . . . . . . . . 280 K QE . 27523 1 267 . 1 1 25 25 LYS CA C 13 60.833 . . . . . . . . 280 K CA . 27523 1 268 . 1 1 25 25 LYS CB C 13 32.416 . . . . . . . . 280 K CB . 27523 1 269 . 1 1 25 25 LYS CG C 13 26.564 . . . . . . . . 280 K CG . 27523 1 270 . 1 1 25 25 LYS CD C 13 29.534 . . . . . . . . 280 K CD . 27523 1 271 . 1 1 25 25 LYS CE C 13 42.108 . . . . . . . . 280 K CE . 27523 1 272 . 1 1 25 25 LYS N N 15 116.384 . . . . . . . . 280 K N . 27523 1 273 . 1 1 26 26 GLU H H 1 7.243 . . . . . . . . 281 E H . 27523 1 274 . 1 1 26 26 GLU HA H 1 4.211 . . . . . . . . 281 E HA . 27523 1 275 . 1 1 26 26 GLU HB2 H 1 2.083 . . . . . . . . 281 E QB . 27523 1 276 . 1 1 26 26 GLU HB3 H 1 2.083 . . . . . . . . 281 E QB . 27523 1 277 . 1 1 26 26 GLU HG2 H 1 2.264 . . . . . . . . 281 E HG2 . 27523 1 278 . 1 1 26 26 GLU HG3 H 1 2.049 . . . . . . . . 281 E HG3 . 27523 1 279 . 1 1 26 26 GLU CA C 13 59.635 . . . . . . . . 281 E CA . 27523 1 280 . 1 1 26 26 GLU CB C 13 29.975 . . . . . . . . 281 E CB . 27523 1 281 . 1 1 26 26 GLU CG C 13 36.084 . . . . . . . . 281 E CG . 27523 1 282 . 1 1 26 26 GLU N N 15 118.225 . . . . . . . . 281 E N . 27523 1 283 . 1 1 27 27 GLU H H 1 8.295 . . . . . . . . 282 E H . 27523 1 284 . 1 1 27 27 GLU HA H 1 3.820 . . . . . . . . 282 E HA . 27523 1 285 . 1 1 27 27 GLU HB2 H 1 2.136 . . . . . . . . 282 E HB2 . 27523 1 286 . 1 1 27 27 GLU HB3 H 1 1.948 . . . . . . . . 282 E HB3 . 27523 1 287 . 1 1 27 27 GLU HG2 H 1 2.422 . . . . . . . . 282 E HG2 . 27523 1 288 . 1 1 27 27 GLU HG3 H 1 2.210 . . . . . . . . 282 E HG3 . 27523 1 289 . 1 1 27 27 GLU CA C 13 59.526 . . . . . . . . 282 E CA . 27523 1 290 . 1 1 27 27 GLU CB C 13 29.790 . . . . . . . . 282 E CB . 27523 1 291 . 1 1 27 27 GLU CG C 13 36.601 . . . . . . . . 282 E CG . 27523 1 292 . 1 1 27 27 GLU N N 15 119.393 . . . . . . . . 282 E N . 27523 1 293 . 1 1 28 28 ILE H H 1 8.263 . . . . . . . . 283 I H . 27523 1 294 . 1 1 28 28 ILE HA H 1 3.650 . . . . . . . . 283 I HA . 27523 1 295 . 1 1 28 28 ILE HB H 1 1.763 . . . . . . . . 283 I HB . 27523 1 296 . 1 1 28 28 ILE HG12 H 1 1.729 . . . . . . . . 283 I HG12 . 27523 1 297 . 1 1 28 28 ILE HG13 H 1 0.968 . . . . . . . . 283 I HG13 . 27523 1 298 . 1 1 28 28 ILE HG21 H 1 0.616 . . . . . . . . 283 I QG2 . 27523 1 299 . 1 1 28 28 ILE HG22 H 1 0.616 . . . . . . . . 283 I QG2 . 27523 1 300 . 1 1 28 28 ILE HG23 H 1 0.616 . . . . . . . . 283 I QG2 . 27523 1 301 . 1 1 28 28 ILE HD11 H 1 0.631 . . . . . . . . 283 I QD1 . 27523 1 302 . 1 1 28 28 ILE HD12 H 1 0.631 . . . . . . . . 283 I QD1 . 27523 1 303 . 1 1 28 28 ILE HD13 H 1 0.631 . . . . . . . . 283 I QD1 . 27523 1 304 . 1 1 28 28 ILE CA C 13 64.682 . . . . . . . . 283 I CA . 27523 1 305 . 1 1 28 28 ILE CB C 13 38.658 . . . . . . . . 283 I CB . 27523 1 306 . 1 1 28 28 ILE CG1 C 13 28.740 . . . . . . . . 283 I CG1 . 27523 1 307 . 1 1 28 28 ILE CG2 C 13 16.930 . . . . . . . . 283 I CG2 . 27523 1 308 . 1 1 28 28 ILE CD1 C 13 14.250 . . . . . . . . 283 I CD1 . 27523 1 309 . 1 1 28 28 ILE N N 15 117.127 . . . . . . . . 283 I N . 27523 1 310 . 1 1 29 29 CYS H H 1 8.403 . . . . . . . . 284 C H . 27523 1 311 . 1 1 29 29 CYS HA H 1 4.175 . . . . . . . . 284 C HA . 27523 1 312 . 1 1 29 29 CYS HB2 H 1 3.093 . . . . . . . . 284 C HB2 . 27523 1 313 . 1 1 29 29 CYS HB3 H 1 3.051 . . . . . . . . 284 C HB3 . 27523 1 314 . 1 1 29 29 CYS CA C 13 58.350 . . . . . . . . 284 C CA . 27523 1 315 . 1 1 29 29 CYS CB C 13 40.865 . . . . . . . . 284 C CB . 27523 1 316 . 1 1 29 29 CYS N N 15 113.956 . . . . . . . . 284 C N . 27523 1 317 . 1 1 30 30 THR H H 1 7.597 . . . . . . . . 285 T H . 27523 1 318 . 1 1 30 30 THR HA H 1 4.426 . . . . . . . . 285 T HA . 27523 1 319 . 1 1 30 30 THR HG21 H 1 1.285 . . . . . . . . 285 T QG2 . 27523 1 320 . 1 1 30 30 THR HG22 H 1 1.285 . . . . . . . . 285 T QG2 . 27523 1 321 . 1 1 30 30 THR HG23 H 1 1.285 . . . . . . . . 285 T QG2 . 27523 1 322 . 1 1 30 30 THR CA C 13 62.752 . . . . . . . . 285 T CA . 27523 1 323 . 1 1 30 30 THR CB C 13 70.011 . . . . . . . . 285 T CB . 27523 1 324 . 1 1 30 30 THR CG2 C 13 21.437 . . . . . . . . 285 T CG2 . 27523 1 325 . 1 1 30 30 THR N N 15 109.667 . . . . . . . . 285 T N . 27523 1 326 . 1 1 31 31 LYS H H 1 6.943 . . . . . . . . 286 K H . 27523 1 327 . 1 1 31 31 LYS HB2 H 1 1.702 . . . . . . . . 286 K QB . 27523 1 328 . 1 1 31 31 LYS HB3 H 1 1.702 . . . . . . . . 286 K QB . 27523 1 329 . 1 1 31 31 LYS HG2 H 1 1.509 . . . . . . . . 286 K HG2 . 27523 1 330 . 1 1 31 31 LYS HG3 H 1 1.366 . . . . . . . . 286 K HG3 . 27523 1 331 . 1 1 31 31 LYS HD2 H 1 1.618 . . . . . . . . 286 K QD . 27523 1 332 . 1 1 31 31 LYS HD3 H 1 1.618 . . . . . . . . 286 K QD . 27523 1 333 . 1 1 31 31 LYS HE2 H 1 2.922 . . . . . . . . 286 K QE . 27523 1 334 . 1 1 31 31 LYS HE3 H 1 2.922 . . . . . . . . 286 K QE . 27523 1 335 . 1 1 31 31 LYS CA C 13 55.105 . . . . . . . . 286 K CA . 27523 1 336 . 1 1 31 31 LYS CB C 13 31.622 . . . . . . . . 286 K CB . 27523 1 337 . 1 1 31 31 LYS CG C 13 24.792 . . . . . . . . 286 K CG . 27523 1 338 . 1 1 31 31 LYS CD C 13 29.142 . . . . . . . . 286 K CD . 27523 1 339 . 1 1 31 31 LYS N N 15 122.299 . . . . . . . . 286 K N . 27523 1 340 . 1 1 37 37 ILE HD11 H 1 0.409 . . . . . . . . 292 I QD1 . 27523 1 341 . 1 1 37 37 ILE HD12 H 1 0.409 . . . . . . . . 292 I QD1 . 27523 1 342 . 1 1 37 37 ILE HD13 H 1 0.409 . . . . . . . . 292 I QD1 . 27523 1 343 . 1 1 37 37 ILE CD1 C 13 9.470 . . . . . . . . 292 I CD1 . 27523 1 344 . 1 1 39 39 GLU CA C 13 59.541 . . . . . . . . 294 E CA . 27523 1 345 . 1 1 39 39 GLU CG C 13 36.991 . . . . . . . . 294 E CG . 27523 1 346 . 1 1 40 40 ILE H H 1 8.046 . . . . . . . . 295 I H . 27523 1 347 . 1 1 40 40 ILE HA H 1 3.969 . . . . . . . . 295 I HA . 27523 1 348 . 1 1 40 40 ILE HB H 1 1.862 . . . . . . . . 295 I HB . 27523 1 349 . 1 1 40 40 ILE HG12 H 1 1.869 . . . . . . . . 295 I HG12 . 27523 1 350 . 1 1 40 40 ILE HG13 H 1 1.151 . . . . . . . . 295 I HG13 . 27523 1 351 . 1 1 40 40 ILE HG21 H 1 0.795 . . . . . . . . 295 I QG2 . 27523 1 352 . 1 1 40 40 ILE HG22 H 1 0.795 . . . . . . . . 295 I QG2 . 27523 1 353 . 1 1 40 40 ILE HG23 H 1 0.795 . . . . . . . . 295 I QG2 . 27523 1 354 . 1 1 40 40 ILE HD11 H 1 0.411 . . . . . . . . 295 I QD1 . 27523 1 355 . 1 1 40 40 ILE HD12 H 1 0.411 . . . . . . . . 295 I QD1 . 27523 1 356 . 1 1 40 40 ILE HD13 H 1 0.411 . . . . . . . . 295 I QD1 . 27523 1 357 . 1 1 40 40 ILE CA C 13 61.283 . . . . . . . . 295 I CA . 27523 1 358 . 1 1 40 40 ILE CB C 13 37.296 . . . . . . . . 295 I CB . 27523 1 359 . 1 1 40 40 ILE CG1 C 13 27.921 . . . . . . . . 295 I CG1 . 27523 1 360 . 1 1 40 40 ILE CG2 C 13 17.893 . . . . . . . . 295 I CG2 . 27523 1 361 . 1 1 40 40 ILE CD1 C 13 10.645 . . . . . . . . 295 I CD1 . 27523 1 362 . 1 1 40 40 ILE N N 15 115.795 . . . . . . . . 295 I N . 27523 1 363 . 1 1 41 41 ILE H H 1 8.501 . . . . . . . . 296 I H . 27523 1 364 . 1 1 41 41 ILE HB H 1 2.118 . . . . . . . . 296 I HB . 27523 1 365 . 1 1 41 41 ILE HG12 H 1 1.420 . . . . . . . . 296 I QG1 . 27523 1 366 . 1 1 41 41 ILE HG13 H 1 1.420 . . . . . . . . 296 I QG1 . 27523 1 367 . 1 1 41 41 ILE HG21 H 1 0.744 . . . . . . . . 296 I HG21 . 27523 1 368 . 1 1 41 41 ILE HG22 H 1 0.291 . . . . . . . . 296 I HG22 . 27523 1 369 . 1 1 41 41 ILE HG23 H 1 0.291 . . . . . . . . 296 I HG22 . 27523 1 370 . 1 1 41 41 ILE HD11 H 1 0.790 . . . . . . . . 296 I QD1 . 27523 1 371 . 1 1 41 41 ILE HD12 H 1 0.790 . . . . . . . . 296 I QD1 . 27523 1 372 . 1 1 41 41 ILE HD13 H 1 0.790 . . . . . . . . 296 I QD1 . 27523 1 373 . 1 1 41 41 ILE CA C 13 62.664 . . . . . . . . 296 I CA . 27523 1 374 . 1 1 41 41 ILE CB C 13 36.187 . . . . . . . . 296 I CB . 27523 1 375 . 1 1 41 41 ILE CG1 C 13 28.561 . . . . . . . . 296 I CG1 . 27523 1 376 . 1 1 41 41 ILE CG2 C 13 17.339 . . . . . . . . 296 I CG2 . 27523 1 377 . 1 1 41 41 ILE CD1 C 13 12.053 . . . . . . . . 296 I CD1 . 27523 1 378 . 1 1 41 41 ILE N N 15 115.848 . . . . . . . . 296 I N . 27523 1 379 . 1 1 42 42 CYS H H 1 7.408 . . . . . . . . 297 C H . 27523 1 380 . 1 1 42 42 CYS HA H 1 4.580 . . . . . . . . 297 C HA . 27523 1 381 . 1 1 42 42 CYS HB2 H 1 3.637 . . . . . . . . 297 C HB2 . 27523 1 382 . 1 1 42 42 CYS HB3 H 1 3.263 . . . . . . . . 297 C HB3 . 27523 1 383 . 1 1 42 42 CYS CB C 13 38.934 . . . . . . . . 297 C CB . 27523 1 384 . 1 1 42 42 CYS N N 15 116.135 . . . . . . . . 297 C N . 27523 1 385 . 1 1 43 43 GLU H H 1 7.423 . . . . . . . . 298 E H . 27523 1 386 . 1 1 43 43 GLU HB3 H 1 1.985 . . . . . . . . 298 E HB3 . 27523 1 387 . 1 1 43 43 GLU HG2 H 1 2.087 . . . . . . . . 298 E HG2 . 27523 1 388 . 1 1 43 43 GLU HG3 H 1 1.990 . . . . . . . . 298 E HG3 . 27523 1 389 . 1 1 43 43 GLU CA C 13 55.474 . . . . . . . . 298 E CA . 27523 1 390 . 1 1 43 43 GLU CB C 13 29.274 . . . . . . . . 298 E CB . 27523 1 391 . 1 1 43 43 GLU CG C 13 35.957 . . . . . . . . 298 E CG . 27523 1 392 . 1 1 43 43 GLU N N 15 115.618 . . . . . . . . 298 E N . 27523 1 393 . 1 1 44 44 ASN H H 1 6.921 . . . . . . . . 299 N H . 27523 1 394 . 1 1 44 44 ASN HA H 1 4.484 . . . . . . . . 299 N HA . 27523 1 395 . 1 1 44 44 ASN HB2 H 1 3.005 . . . . . . . . 299 N HB2 . 27523 1 396 . 1 1 44 44 ASN HB3 H 1 2.590 . . . . . . . . 299 N HB3 . 27523 1 397 . 1 1 44 44 ASN CA C 13 54.386 . . . . . . . . 299 N CA . 27523 1 398 . 1 1 44 44 ASN CB C 13 37.451 . . . . . . . . 299 N CB . 27523 1 399 . 1 1 44 44 ASN N N 15 113.454 . . . . . . . . 299 N N . 27523 1 400 . 1 1 45 45 LYS H H 1 8.038 . . . . . . . . 300 K H . 27523 1 401 . 1 1 45 45 LYS HA H 1 3.966 . . . . . . . . 300 K HA . 27523 1 402 . 1 1 45 45 LYS HB2 H 1 1.896 . . . . . . . . 300 K HB2 . 27523 1 403 . 1 1 45 45 LYS HB3 H 1 1.314 . . . . . . . . 300 K HB3 . 27523 1 404 . 1 1 45 45 LYS HG2 H 1 1.367 . . . . . . . . 300 K HG2 . 27523 1 405 . 1 1 45 45 LYS HG3 H 1 1.271 . . . . . . . . 300 K HG3 . 27523 1 406 . 1 1 45 45 LYS HD2 H 1 1.418 . . . . . . . . 300 K QD . 27523 1 407 . 1 1 45 45 LYS HD3 H 1 1.418 . . . . . . . . 300 K QD . 27523 1 408 . 1 1 45 45 LYS HE2 H 1 2.862 . . . . . . . . 300 K HE2 . 27523 1 409 . 1 1 45 45 LYS HE3 H 1 2.828 . . . . . . . . 300 K HE3 . 27523 1 410 . 1 1 45 45 LYS CA C 13 55.948 . . . . . . . . 300 K CA . 27523 1 411 . 1 1 45 45 LYS CB C 13 33.697 . . . . . . . . 300 K CB . 27523 1 412 . 1 1 45 45 LYS CG C 13 26.327 . . . . . . . . 300 K CG . 27523 1 413 . 1 1 45 45 LYS CD C 13 29.257 . . . . . . . . 300 K CD . 27523 1 414 . 1 1 45 45 LYS CE C 13 42.406 . . . . . . . . 300 K CE . 27523 1 415 . 1 1 45 45 LYS N N 15 117.674 . . . . . . . . 300 K N . 27523 1 416 . 1 1 46 46 THR H H 1 8.446 . . . . . . . . 301 T H . 27523 1 417 . 1 1 46 46 THR HA H 1 4.418 . . . . . . . . 301 T HA . 27523 1 418 . 1 1 46 46 THR HG21 H 1 1.103 . . . . . . . . 301 T QG2 . 27523 1 419 . 1 1 46 46 THR HG22 H 1 1.103 . . . . . . . . 301 T QG2 . 27523 1 420 . 1 1 46 46 THR HG23 H 1 1.103 . . . . . . . . 301 T QG2 . 27523 1 421 . 1 1 46 46 THR CA C 13 59.570 . . . . . . . . 301 T CA . 27523 1 422 . 1 1 46 46 THR CB C 13 70.092 . . . . . . . . 301 T CB . 27523 1 423 . 1 1 46 46 THR CG2 C 13 22.040 . . . . . . . . 301 T CG2 . 27523 1 424 . 1 1 46 46 THR N N 15 108.414 . . . . . . . . 301 T N . 27523 1 425 . 1 1 47 47 TYR H H 1 9.749 . . . . . . . . 302 Y H . 27523 1 426 . 1 1 47 47 TYR HA H 1 4.223 . . . . . . . . 302 Y HA . 27523 1 427 . 1 1 47 47 TYR HB2 H 1 3.198 . . . . . . . . 302 Y HB2 . 27523 1 428 . 1 1 47 47 TYR HB3 H 1 2.788 . . . . . . . . 302 Y HB3 . 27523 1 429 . 1 1 47 47 TYR HD1 H 1 6.681 . . . . . . . . 302 Y QD . 27523 1 430 . 1 1 47 47 TYR HD2 H 1 6.681 . . . . . . . . 302 Y QD . 27523 1 431 . 1 1 47 47 TYR HE1 H 1 6.663 . . . . . . . . 302 Y QE . 27523 1 432 . 1 1 47 47 TYR HE2 H 1 6.663 . . . . . . . . 302 Y QE . 27523 1 433 . 1 1 47 47 TYR CA C 13 59.525 . . . . . . . . 302 Y CA . 27523 1 434 . 1 1 47 47 TYR CB C 13 35.272 . . . . . . . . 302 Y CB . 27523 1 435 . 1 1 47 47 TYR CD1 C 13 131.524 . . . . . . . . 302 Y CD . 27523 1 436 . 1 1 47 47 TYR CD2 C 13 131.524 . . . . . . . . 302 Y CD . 27523 1 437 . 1 1 47 47 TYR CE1 C 13 118.088 . . . . . . . . 302 Y CE . 27523 1 438 . 1 1 47 47 TYR CE2 C 13 118.088 . . . . . . . . 302 Y CE . 27523 1 439 . 1 1 47 47 TYR N N 15 121.743 . . . . . . . . 302 Y N . 27523 1 440 . 1 1 48 48 ALA H H 1 9.054 . . . . . . . . 303 A H . 27523 1 441 . 1 1 48 48 ALA HA H 1 4.092 . . . . . . . . 303 A HA . 27523 1 442 . 1 1 48 48 ALA HB1 H 1 1.354 . . . . . . . . 303 A HB . 27523 1 443 . 1 1 48 48 ALA HB2 H 1 1.354 . . . . . . . . 303 A HB . 27523 1 444 . 1 1 48 48 ALA HB3 H 1 1.354 . . . . . . . . 303 A HB . 27523 1 445 . 1 1 48 48 ALA CA C 13 54.645 . . . . . . . . 303 A CA . 27523 1 446 . 1 1 48 48 ALA CB C 13 18.159 . . . . . . . . 303 A CB . 27523 1 447 . 1 1 48 48 ALA N N 15 122.076 . . . . . . . . 303 A N . 27523 1 448 . 1 1 49 49 ASP H H 1 7.862 . . . . . . . . 304 D H . 27523 1 449 . 1 1 49 49 ASP HA H 1 4.209 . . . . . . . . 304 D HA . 27523 1 450 . 1 1 49 49 ASP HB2 H 1 3.095 . . . . . . . . 304 D HB2 . 27523 1 451 . 1 1 49 49 ASP HB3 H 1 2.526 . . . . . . . . 304 D HB3 . 27523 1 452 . 1 1 49 49 ASP CA C 13 57.250 . . . . . . . . 304 D CA . 27523 1 453 . 1 1 49 49 ASP CB C 13 41.532 . . . . . . . . 304 D CB . 27523 1 454 . 1 1 49 49 ASP N N 15 118.251 . . . . . . . . 304 D N . 27523 1 455 . 1 1 50 50 VAL H H 1 7.301 . . . . . . . . 305 V H . 27523 1 456 . 1 1 50 50 VAL HA H 1 4.254 . . . . . . . . 305 V HA . 27523 1 457 . 1 1 50 50 VAL HB H 1 2.291 . . . . . . . . 305 V HB . 27523 1 458 . 1 1 50 50 VAL HG11 H 1 0.770 . . . . . . . . 305 V QG1 . 27523 1 459 . 1 1 50 50 VAL HG12 H 1 0.770 . . . . . . . . 305 V QG1 . 27523 1 460 . 1 1 50 50 VAL HG13 H 1 0.770 . . . . . . . . 305 V QG1 . 27523 1 461 . 1 1 50 50 VAL HG21 H 1 0.950 . . . . . . . . 305 V QG2 . 27523 1 462 . 1 1 50 50 VAL HG22 H 1 0.950 . . . . . . . . 305 V QG2 . 27523 1 463 . 1 1 50 50 VAL HG23 H 1 0.950 . . . . . . . . 305 V QG2 . 27523 1 464 . 1 1 50 50 VAL CA C 13 60.771 . . . . . . . . 305 V CA . 27523 1 465 . 1 1 50 50 VAL CB C 13 31.372 . . . . . . . . 305 V CB . 27523 1 466 . 1 1 50 50 VAL CG1 C 13 21.844 . . . . . . . . 305 V CG1 . 27523 1 467 . 1 1 50 50 VAL CG2 C 13 20.045 . . . . . . . . 305 V CG2 . 27523 1 468 . 1 1 50 50 VAL N N 15 110.762 . . . . . . . . 305 V N . 27523 1 469 . 1 1 51 51 ASN H H 1 7.966 . . . . . . . . 306 N H . 27523 1 470 . 1 1 51 51 ASN CA C 13 53.847 . . . . . . . . 306 N CA . 27523 1 471 . 1 1 51 51 ASN CB C 13 36.932 . . . . . . . . 306 N CB . 27523 1 472 . 1 1 51 51 ASN N N 15 118.645 . . . . . . . . 306 N N . 27523 1 473 . 1 1 52 52 ILE H H 1 7.666 . . . . . . . . 307 I H . 27523 1 474 . 1 1 52 52 ILE HB H 1 1.491 . . . . . . . . 307 I HB . 27523 1 475 . 1 1 52 52 ILE HG12 H 1 1.494 . . . . . . . . 307 I HG12 . 27523 1 476 . 1 1 52 52 ILE HG13 H 1 1.308 . . . . . . . . 307 I HG13 . 27523 1 477 . 1 1 52 52 ILE HG21 H 1 0.653 . . . . . . . . 307 I QG2 . 27523 1 478 . 1 1 52 52 ILE HG22 H 1 0.653 . . . . . . . . 307 I QG2 . 27523 1 479 . 1 1 52 52 ILE HG23 H 1 0.653 . . . . . . . . 307 I QG2 . 27523 1 480 . 1 1 52 52 ILE HD11 H 1 0.715 . . . . . . . . 307 I QD1 . 27523 1 481 . 1 1 52 52 ILE HD12 H 1 0.715 . . . . . . . . 307 I QD1 . 27523 1 482 . 1 1 52 52 ILE HD13 H 1 0.715 . . . . . . . . 307 I QD1 . 27523 1 483 . 1 1 52 52 ILE CA C 13 58.577 . . . . . . . . 307 I CA . 27523 1 484 . 1 1 52 52 ILE CB C 13 42.074 . . . . . . . . 307 I CB . 27523 1 485 . 1 1 52 52 ILE CG1 C 13 28.949 . . . . . . . . 307 I CG1 . 27523 1 486 . 1 1 52 52 ILE CG2 C 13 16.745 . . . . . . . . 307 I CG2 . 27523 1 487 . 1 1 52 52 ILE CD1 C 13 14.287 . . . . . . . . 307 I CD1 . 27523 1 488 . 1 1 52 52 ILE N N 15 118.311 . . . . . . . . 307 I N . 27523 1 489 . 1 1 53 53 ASP H H 1 7.984 . . . . . . . . 308 D H . 27523 1 490 . 1 1 53 53 ASP HA H 1 4.500 . . . . . . . . 308 D HA . 27523 1 491 . 1 1 53 53 ASP HB2 H 1 2.660 . . . . . . . . 308 D HB2 . 27523 1 492 . 1 1 53 53 ASP HB3 H 1 2.348 . . . . . . . . 308 D HB3 . 27523 1 493 . 1 1 53 53 ASP CA C 13 54.635 . . . . . . . . 308 D CA . 27523 1 494 . 1 1 53 53 ASP CB C 13 43.164 . . . . . . . . 308 D CB . 27523 1 495 . 1 1 53 53 ASP N N 15 126.474 . . . . . . . . 308 D N . 27523 1 496 . 1 1 54 54 ARG H H 1 8.497 . . . . . . . . 309 R H . 27523 1 497 . 1 1 54 54 ARG HA H 1 3.384 . . . . . . . . 309 R HA . 27523 1 498 . 1 1 54 54 ARG HB2 H 1 1.890 . . . . . . . . 309 R HB2 . 27523 1 499 . 1 1 54 54 ARG HB3 H 1 1.766 . . . . . . . . 309 R HB3 . 27523 1 500 . 1 1 54 54 ARG HG2 H 1 1.781 . . . . . . . . 309 R HG2 . 27523 1 501 . 1 1 54 54 ARG HG3 H 1 1.728 . . . . . . . . 309 R HG3 . 27523 1 502 . 1 1 54 54 ARG HD2 H 1 3.394 . . . . . . . . 309 R HD2 . 27523 1 503 . 1 1 54 54 ARG HD3 H 1 3.301 . . . . . . . . 309 R HD3 . 27523 1 504 . 1 1 54 54 ARG CA C 13 59.158 . . . . . . . . 309 R CA . 27523 1 505 . 1 1 54 54 ARG CB C 13 30.811 . . . . . . . . 309 R CB . 27523 1 506 . 1 1 54 54 ARG CG C 13 26.584 . . . . . . . . 309 R CG . 27523 1 507 . 1 1 54 54 ARG CD C 13 44.540 . . . . . . . . 309 R CD . 27523 1 508 . 1 1 54 54 ARG N N 15 124.660 . . . . . . . . 309 R N . 27523 1 509 . 1 1 55 55 SER CA C 13 61.722 . . . . . . . . 310 S CA . 27523 1 510 . 1 1 56 56 ARG H H 1 7.956 . . . . . . . . 311 R H . 27523 1 511 . 1 1 56 56 ARG HA H 1 4.070 . . . . . . . . 311 R HA . 27523 1 512 . 1 1 56 56 ARG HB2 H 1 1.823 . . . . . . . . 311 R QB . 27523 1 513 . 1 1 56 56 ARG HB3 H 1 1.823 . . . . . . . . 311 R QB . 27523 1 514 . 1 1 56 56 ARG HG2 H 1 1.768 . . . . . . . . 311 R HG2 . 27523 1 515 . 1 1 56 56 ARG HG3 H 1 1.567 . . . . . . . . 311 R HG3 . 27523 1 516 . 1 1 56 56 ARG HD2 H 1 3.150 . . . . . . . . 311 R QD . 27523 1 517 . 1 1 56 56 ARG HD3 H 1 3.150 . . . . . . . . 311 R QD . 27523 1 518 . 1 1 56 56 ARG CA C 13 58.615 . . . . . . . . 311 R CA . 27523 1 519 . 1 1 56 56 ARG CB C 13 29.851 . . . . . . . . 311 R CB . 27523 1 520 . 1 1 56 56 ARG CG C 13 27.346 . . . . . . . . 311 R CG . 27523 1 521 . 1 1 56 56 ARG CD C 13 42.987 . . . . . . . . 311 R CD . 27523 1 522 . 1 1 56 56 ARG N N 15 124.826 . . . . . . . . 311 R N . 27523 1 523 . 1 1 57 57 GLY H H 1 8.582 . . . . . . . . 312 G H . 27523 1 524 . 1 1 57 57 GLY HA2 H 1 3.318 . . . . . . . . 312 G HA2 . 27523 1 525 . 1 1 57 57 GLY HA3 H 1 2.714 . . . . . . . . 312 G HA3 . 27523 1 526 . 1 1 57 57 GLY CA C 13 48.036 . . . . . . . . 312 G CA . 27523 1 527 . 1 1 57 57 GLY N N 15 107.194 . . . . . . . . 312 G N . 27523 1 528 . 1 1 58 58 ASP H H 1 7.745 . . . . . . . . 313 D H . 27523 1 529 . 1 1 58 58 ASP HA H 1 4.455 . . . . . . . . 313 D HA . 27523 1 530 . 1 1 58 58 ASP HB2 H 1 2.942 . . . . . . . . 313 D HB2 . 27523 1 531 . 1 1 58 58 ASP HB3 H 1 2.609 . . . . . . . . 313 D HB3 . 27523 1 532 . 1 1 58 58 ASP CA C 13 57.360 . . . . . . . . 313 D CA . 27523 1 533 . 1 1 58 58 ASP CB C 13 40.515 . . . . . . . . 313 D CB . 27523 1 534 . 1 1 58 58 ASP N N 15 119.488 . . . . . . . . 313 D N . 27523 1 535 . 1 1 59 59 TRP H H 1 7.586 . . . . . . . . 314 W H . 27523 1 536 . 1 1 59 59 TRP HA H 1 4.183 . . . . . . . . 314 W HA . 27523 1 537 . 1 1 59 59 TRP HB2 H 1 3.292 . . . . . . . . 314 W HB2 . 27523 1 538 . 1 1 59 59 TRP HD1 H 1 6.438 . . . . . . . . 314 W HD1 . 27523 1 539 . 1 1 59 59 TRP HE1 H 1 10.081 . . . . . . . . 314 W HE1 . 27523 1 540 . 1 1 59 59 TRP HE3 H 1 7.425 . . . . . . . . 314 W HE3 . 27523 1 541 . 1 1 59 59 TRP HZ2 H 1 7.413 . . . . . . . . 314 W HZ2 . 27523 1 542 . 1 1 59 59 TRP HZ3 H 1 7.050 . . . . . . . . 314 W HZ3 . 27523 1 543 . 1 1 59 59 TRP HH2 H 1 6.844 . . . . . . . . 314 W HH2 . 27523 1 544 . 1 1 59 59 TRP CA C 13 60.136 . . . . . . . . 314 W CA . 27523 1 545 . 1 1 59 59 TRP CB C 13 29.411 . . . . . . . . 314 W CB . 27523 1 546 . 1 1 59 59 TRP CD1 C 13 126.445 . . . . . . . . 314 W CD1 . 27523 1 547 . 1 1 59 59 TRP CE3 C 13 120.515 . . . . . . . . 314 W CE3 . 27523 1 548 . 1 1 59 59 TRP CZ2 C 13 114.904 . . . . . . . . 314 W CZ2 . 27523 1 549 . 1 1 59 59 TRP CZ3 C 13 120.822 . . . . . . . . 314 W CZ3 . 27523 1 550 . 1 1 59 59 TRP CH2 C 13 123.181 . . . . . . . . 314 W CH2 . 27523 1 551 . 1 1 59 59 TRP N N 15 118.093 . . . . . . . . 314 W N . 27523 1 552 . 1 1 59 59 TRP NE1 N 15 129.397 . . . . . . . . 314 W NE1 . 27523 1 553 . 1 1 60 60 HIS H H 1 7.973 . . . . . . . . 315 H H . 27523 1 554 . 1 1 60 60 HIS HA H 1 4.015 . . . . . . . . 315 H HA . 27523 1 555 . 1 1 60 60 HIS HB2 H 1 3.037 . . . . . . . . 315 H HB2 . 27523 1 556 . 1 1 60 60 HIS HB3 H 1 2.930 . . . . . . . . 315 H HB3 . 27523 1 557 . 1 1 60 60 HIS HD2 H 1 6.923 . . . . . . . . 315 H HD2 . 27523 1 558 . 1 1 60 60 HIS HE1 H 1 7.805 . . . . . . . . 315 H HE1 . 27523 1 559 . 1 1 60 60 HIS CA C 13 60.088 . . . . . . . . 315 H CA . 27523 1 560 . 1 1 60 60 HIS CB C 13 31.063 . . . . . . . . 315 H CB . 27523 1 561 . 1 1 60 60 HIS CD2 C 13 121.457 . . . . . . . . 315 H CD2 . 27523 1 562 . 1 1 60 60 HIS N N 15 113.259 . . . . . . . . 315 H N . 27523 1 563 . 1 1 61 61 VAL H H 1 8.751 . . . . . . . . 316 V H . 27523 1 564 . 1 1 61 61 VAL HA H 1 3.516 . . . . . . . . 316 V HA . 27523 1 565 . 1 1 61 61 VAL HB H 1 2.217 . . . . . . . . 316 V HB . 27523 1 566 . 1 1 61 61 VAL HG11 H 1 1.095 . . . . . . . . 316 V QG1 . 27523 1 567 . 1 1 61 61 VAL HG12 H 1 1.095 . . . . . . . . 316 V QG1 . 27523 1 568 . 1 1 61 61 VAL HG13 H 1 1.095 . . . . . . . . 316 V QG1 . 27523 1 569 . 1 1 61 61 VAL HG21 H 1 0.819 . . . . . . . . 316 V QG2 . 27523 1 570 . 1 1 61 61 VAL HG22 H 1 0.819 . . . . . . . . 316 V QG2 . 27523 1 571 . 1 1 61 61 VAL HG23 H 1 0.819 . . . . . . . . 316 V QG2 . 27523 1 572 . 1 1 61 61 VAL CA C 13 67.511 . . . . . . . . 316 V CA . 27523 1 573 . 1 1 61 61 VAL CB C 13 31.553 . . . . . . . . 316 V CB . 27523 1 574 . 1 1 61 61 VAL CG1 C 13 23.224 . . . . . . . . 316 V CG1 . 27523 1 575 . 1 1 61 61 VAL CG2 C 13 22.386 . . . . . . . . 316 V CG2 . 27523 1 576 . 1 1 61 61 VAL N N 15 119.912 . . . . . . . . 316 V N . 27523 1 577 . 1 1 62 62 ILE H H 1 8.880 . . . . . . . . 317 I H . 27523 1 578 . 1 1 62 62 ILE HA H 1 3.373 . . . . . . . . 317 I HA . 27523 1 579 . 1 1 62 62 ILE HB H 1 1.733 . . . . . . . . 317 I HB . 27523 1 580 . 1 1 62 62 ILE HG12 H 1 2.124 . . . . . . . . 317 I HG12 . 27523 1 581 . 1 1 62 62 ILE HG13 H 1 0.811 . . . . . . . . 317 I HG13 . 27523 1 582 . 1 1 62 62 ILE HG21 H 1 0.722 . . . . . . . . 317 I QG2 . 27523 1 583 . 1 1 62 62 ILE HG22 H 1 0.722 . . . . . . . . 317 I QG2 . 27523 1 584 . 1 1 62 62 ILE HG23 H 1 0.722 . . . . . . . . 317 I QG2 . 27523 1 585 . 1 1 62 62 ILE HD11 H 1 0.819 . . . . . . . . 317 I QD1 . 27523 1 586 . 1 1 62 62 ILE HD12 H 1 0.819 . . . . . . . . 317 I QD1 . 27523 1 587 . 1 1 62 62 ILE HD13 H 1 0.819 . . . . . . . . 317 I QD1 . 27523 1 588 . 1 1 62 62 ILE CA C 13 67.468 . . . . . . . . 317 I CA . 27523 1 589 . 1 1 62 62 ILE CB C 13 37.654 . . . . . . . . 317 I CB . 27523 1 590 . 1 1 62 62 ILE CG1 C 13 30.975 . . . . . . . . 317 I CG1 . 27523 1 591 . 1 1 62 62 ILE CG2 C 13 17.812 . . . . . . . . 317 I CG2 . 27523 1 592 . 1 1 62 62 ILE CD1 C 13 13.765 . . . . . . . . 317 I CD1 . 27523 1 593 . 1 1 62 62 ILE N N 15 119.367 . . . . . . . . 317 I N . 27523 1 594 . 1 1 63 63 LEU H H 1 7.980 . . . . . . . . 318 L H . 27523 1 595 . 1 1 63 63 LEU HA H 1 3.500 . . . . . . . . 318 L HA . 27523 1 596 . 1 1 63 63 LEU HB2 H 1 1.134 . . . . . . . . 318 L HB2 . 27523 1 597 . 1 1 63 63 LEU HB3 H 1 1.083 . . . . . . . . 318 L HB3 . 27523 1 598 . 1 1 63 63 LEU HG H 1 0.896 . . . . . . . . 318 L HG . 27523 1 599 . 1 1 63 63 LEU HD11 H 1 0.373 . . . . . . . . 318 L QD1 . 27523 1 600 . 1 1 63 63 LEU HD12 H 1 0.373 . . . . . . . . 318 L QD1 . 27523 1 601 . 1 1 63 63 LEU HD13 H 1 0.373 . . . . . . . . 318 L QD1 . 27523 1 602 . 1 1 63 63 LEU HD21 H 1 0.149 . . . . . . . . 318 L QD2 . 27523 1 603 . 1 1 63 63 LEU HD22 H 1 0.149 . . . . . . . . 318 L QD2 . 27523 1 604 . 1 1 63 63 LEU HD23 H 1 0.149 . . . . . . . . 318 L QD2 . 27523 1 605 . 1 1 63 63 LEU CA C 13 58.499 . . . . . . . . 318 L CA . 27523 1 606 . 1 1 63 63 LEU CB C 13 41.945 . . . . . . . . 318 L CB . 27523 1 607 . 1 1 63 63 LEU CG C 13 26.810 . . . . . . . . 318 L CG . 27523 1 608 . 1 1 63 63 LEU CD1 C 13 24.051 . . . . . . . . 318 L CD1 . 27523 1 609 . 1 1 63 63 LEU CD2 C 13 24.016 . . . . . . . . 318 L CD2 . 27523 1 610 . 1 1 63 63 LEU N N 15 118.345 . . . . . . . . 318 L N . 27523 1 611 . 1 1 64 64 TYR H H 1 7.491 . . . . . . . . 319 Y H . 27523 1 612 . 1 1 64 64 TYR HA H 1 3.804 . . . . . . . . 319 Y HA . 27523 1 613 . 1 1 64 64 TYR HB2 H 1 3.107 . . . . . . . . 319 Y QB . 27523 1 614 . 1 1 64 64 TYR HB3 H 1 3.107 . . . . . . . . 319 Y QB . 27523 1 615 . 1 1 64 64 TYR HD1 H 1 6.865 . . . . . . . . 319 Y QD . 27523 1 616 . 1 1 64 64 TYR HD2 H 1 6.865 . . . . . . . . 319 Y QD . 27523 1 617 . 1 1 64 64 TYR HE1 H 1 6.440 . . . . . . . . 319 Y QE . 27523 1 618 . 1 1 64 64 TYR HE2 H 1 6.440 . . . . . . . . 319 Y QE . 27523 1 619 . 1 1 64 64 TYR CA C 13 62.929 . . . . . . . . 319 Y CA . 27523 1 620 . 1 1 64 64 TYR CB C 13 39.147 . . . . . . . . 319 Y CB . 27523 1 621 . 1 1 64 64 TYR CD1 C 13 132.981 . . . . . . . . 319 Y CD . 27523 1 622 . 1 1 64 64 TYR CD2 C 13 132.981 . . . . . . . . 319 Y CD . 27523 1 623 . 1 1 64 64 TYR CE1 C 13 117.989 . . . . . . . . 319 Y CE . 27523 1 624 . 1 1 64 64 TYR CE2 C 13 117.989 . . . . . . . . 319 Y CE . 27523 1 625 . 1 1 64 64 TYR N N 15 117.248 . . . . . . . . 319 Y N . 27523 1 626 . 1 1 65 65 LEU H H 1 8.663 . . . . . . . . 320 L H . 27523 1 627 . 1 1 65 65 LEU HA H 1 3.824 . . . . . . . . 320 L HA . 27523 1 628 . 1 1 65 65 LEU HB2 H 1 1.966 . . . . . . . . 320 L HB2 . 27523 1 629 . 1 1 65 65 LEU HB3 H 1 1.492 . . . . . . . . 320 L HB3 . 27523 1 630 . 1 1 65 65 LEU HG H 1 0.795 . . . . . . . . 320 L HG . 27523 1 631 . 1 1 65 65 LEU HD11 H 1 2.075 . . . . . . . . 320 L QD1 . 27523 1 632 . 1 1 65 65 LEU HD12 H 1 2.075 . . . . . . . . 320 L QD1 . 27523 1 633 . 1 1 65 65 LEU HD13 H 1 2.075 . . . . . . . . 320 L QD1 . 27523 1 634 . 1 1 65 65 LEU HD21 H 1 0.754 . . . . . . . . 320 L QD2 . 27523 1 635 . 1 1 65 65 LEU HD22 H 1 0.754 . . . . . . . . 320 L QD2 . 27523 1 636 . 1 1 65 65 LEU HD23 H 1 0.754 . . . . . . . . 320 L QD2 . 27523 1 637 . 1 1 65 65 LEU CA C 13 58.590 . . . . . . . . 320 L CA . 27523 1 638 . 1 1 65 65 LEU CB C 13 40.538 . . . . . . . . 320 L CB . 27523 1 639 . 1 1 65 65 LEU CG C 13 28.032 . . . . . . . . 320 L CG . 27523 1 640 . 1 1 65 65 LEU CD1 C 13 26.805 . . . . . . . . 320 L CD1 . 27523 1 641 . 1 1 65 65 LEU CD2 C 13 22.252 . . . . . . . . 320 L CD2 . 27523 1 642 . 1 1 65 65 LEU N N 15 120.334 . . . . . . . . 320 L N . 27523 1 643 . 1 1 66 66 MET H H 1 8.720 . . . . . . . . 321 M H . 27523 1 644 . 1 1 66 66 MET HB2 H 1 2.008 . . . . . . . . 321 M HB2 . 27523 1 645 . 1 1 66 66 MET HB3 H 1 1.874 . . . . . . . . 321 M HB3 . 27523 1 646 . 1 1 66 66 MET HG2 H 1 3.053 . . . . . . . . 321 M HG2 . 27523 1 647 . 1 1 66 66 MET HG3 H 1 2.324 . . . . . . . . 321 M HG3 . 27523 1 648 . 1 1 66 66 MET HE1 H 1 1.992 . . . . . . . . 321 M HE . 27523 1 649 . 1 1 66 66 MET HE2 H 1 1.992 . . . . . . . . 321 M HE . 27523 1 650 . 1 1 66 66 MET HE3 H 1 1.992 . . . . . . . . 321 M HE . 27523 1 651 . 1 1 66 66 MET CA C 13 60.190 . . . . . . . . 321 M CA . 27523 1 652 . 1 1 66 66 MET CB C 13 33.883 . . . . . . . . 321 M CB . 27523 1 653 . 1 1 66 66 MET CG C 13 34.452 . . . . . . . . 321 M CG . 27523 1 654 . 1 1 66 66 MET CE C 13 19.500 . . . . . . . . 321 M CE . 27523 1 655 . 1 1 66 66 MET N N 15 118.678 . . . . . . . . 321 M N . 27523 1 656 . 1 1 67 67 LYS H H 1 8.095 . . . . . . . . 322 K H . 27523 1 657 . 1 1 67 67 LYS HA H 1 3.733 . . . . . . . . 322 K HA . 27523 1 658 . 1 1 67 67 LYS HB2 H 1 1.606 . . . . . . . . 322 K HB2 . 27523 1 659 . 1 1 67 67 LYS HB3 H 1 1.491 . . . . . . . . 322 K HB3 . 27523 1 660 . 1 1 67 67 LYS HG2 H 1 1.386 . . . . . . . . 322 K HG2 . 27523 1 661 . 1 1 67 67 LYS HG3 H 1 0.901 . . . . . . . . 322 K HG3 . 27523 1 662 . 1 1 67 67 LYS HD2 H 1 1.305 . . . . . . . . 322 K HD2 . 27523 1 663 . 1 1 67 67 LYS HD3 H 1 1.171 . . . . . . . . 322 K HD3 . 27523 1 664 . 1 1 67 67 LYS CA C 13 59.104 . . . . . . . . 322 K CA . 27523 1 665 . 1 1 67 67 LYS CB C 13 32.126 . . . . . . . . 322 K CB . 27523 1 666 . 1 1 67 67 LYS CG C 13 26.697 . . . . . . . . 322 K CG . 27523 1 667 . 1 1 67 67 LYS CD C 13 29.478 . . . . . . . . 322 K CD . 27523 1 668 . 1 1 67 67 LYS N N 15 118.316 . . . . . . . . 322 K N . 27523 1 669 . 1 1 68 68 HIS H H 1 7.527 . . . . . . . . 323 H H . 27523 1 670 . 1 1 68 68 HIS HA H 1 4.275 . . . . . . . . 323 H HA . 27523 1 671 . 1 1 68 68 HIS HB2 H 1 3.469 . . . . . . . . 323 H HB2 . 27523 1 672 . 1 1 68 68 HIS HB3 H 1 2.563 . . . . . . . . 323 H HB3 . 27523 1 673 . 1 1 68 68 HIS HD2 H 1 6.717 . . . . . . . . 323 H HD2 . 27523 1 674 . 1 1 68 68 HIS HE1 H 1 7.447 . . . . . . . . 323 H HE1 . 27523 1 675 . 1 1 68 68 HIS CA C 13 57.210 . . . . . . . . 323 H CA . 27523 1 676 . 1 1 68 68 HIS CB C 13 28.503 . . . . . . . . 323 H CB . 27523 1 677 . 1 1 68 68 HIS CD2 C 13 121.426 . . . . . . . . 323 H CD2 . 27523 1 678 . 1 1 68 68 HIS N N 15 116.737 . . . . . . . . 323 H N . 27523 1 679 . 1 1 69 69 GLY H H 1 7.644 . . . . . . . . 324 G H . 27523 1 680 . 1 1 69 69 GLY HA2 H 1 4.154 . . . . . . . . 324 G HA2 . 27523 1 681 . 1 1 69 69 GLY HA3 H 1 3.736 . . . . . . . . 324 G HA3 . 27523 1 682 . 1 1 69 69 GLY CA C 13 45.749 . . . . . . . . 324 G CA . 27523 1 683 . 1 1 69 69 GLY N N 15 106.756 . . . . . . . . 324 G N . 27523 1 684 . 1 1 70 70 VAL H H 1 8.178 . . . . . . . . 325 V H . 27523 1 685 . 1 1 70 70 VAL HB H 1 2.053 . . . . . . . . 325 V HB . 27523 1 686 . 1 1 70 70 VAL HG11 H 1 0.752 . . . . . . . . 325 V QG1 . 27523 1 687 . 1 1 70 70 VAL HG12 H 1 0.752 . . . . . . . . 325 V QG1 . 27523 1 688 . 1 1 70 70 VAL HG13 H 1 0.752 . . . . . . . . 325 V QG1 . 27523 1 689 . 1 1 70 70 VAL HG21 H 1 0.810 . . . . . . . . 325 V QG2 . 27523 1 690 . 1 1 70 70 VAL HG22 H 1 0.810 . . . . . . . . 325 V QG2 . 27523 1 691 . 1 1 70 70 VAL HG23 H 1 0.810 . . . . . . . . 325 V QG2 . 27523 1 692 . 1 1 70 70 VAL CA C 13 60.908 . . . . . . . . 325 V CA . 27523 1 693 . 1 1 70 70 VAL CB C 13 30.037 . . . . . . . . 325 V CB . 27523 1 694 . 1 1 70 70 VAL CG1 C 13 20.991 . . . . . . . . 325 V CG1 . 27523 1 695 . 1 1 70 70 VAL CG2 C 13 20.227 . . . . . . . . 325 V CG2 . 27523 1 696 . 1 1 70 70 VAL N N 15 124.236 . . . . . . . . 325 V N . 27523 1 697 . 1 1 71 71 THR H H 1 7.934 . . . . . . . . 326 T H . 27523 1 698 . 1 1 71 71 THR HA H 1 4.377 . . . . . . . . 326 T HA . 27523 1 699 . 1 1 71 71 THR HG21 H 1 0.822 . . . . . . . . 326 T QG2 . 27523 1 700 . 1 1 71 71 THR HG22 H 1 0.822 . . . . . . . . 326 T QG2 . 27523 1 701 . 1 1 71 71 THR HG23 H 1 0.822 . . . . . . . . 326 T QG2 . 27523 1 702 . 1 1 71 71 THR CA C 13 60.769 . . . . . . . . 326 T CA . 27523 1 703 . 1 1 71 71 THR CB C 13 68.097 . . . . . . . . 326 T CB . 27523 1 704 . 1 1 71 71 THR CG2 C 13 22.340 . . . . . . . . 326 T CG2 . 27523 1 705 . 1 1 71 71 THR N N 15 110.628 . . . . . . . . 326 T N . 27523 1 706 . 1 1 72 72 ASP H H 1 7.532 . . . . . . . . 327 D H . 27523 1 707 . 1 1 72 72 ASP HA H 1 4.140 . . . . . . . . 327 D HA . 27523 1 708 . 1 1 72 72 ASP N N 15 120.796 . . . . . . . . 327 D N . 27523 1 709 . 1 1 73 73 PRO HB2 H 1 2.174 . . . . . . . . 328 P HB2 . 27523 1 710 . 1 1 73 73 PRO HB3 H 1 2.105 . . . . . . . . 328 P HB3 . 27523 1 711 . 1 1 73 73 PRO HG2 H 1 1.862 . . . . . . . . 328 P HG2 . 27523 1 712 . 1 1 73 73 PRO HG3 H 1 1.649 . . . . . . . . 328 P HG3 . 27523 1 713 . 1 1 73 73 PRO CA C 13 65.375 . . . . . . . . 328 P CA . 27523 1 714 . 1 1 73 73 PRO CB C 13 32.809 . . . . . . . . 328 P CB . 27523 1 715 . 1 1 73 73 PRO CG C 13 27.858 . . . . . . . . 328 P CG . 27523 1 716 . 1 1 73 73 PRO CD C 13 50.405 . . . . . . . . 328 P CD . 27523 1 717 . 1 1 74 74 ASP H H 1 8.117 . . . . . . . . 329 D H . 27523 1 718 . 1 1 74 74 ASP HA H 1 4.423 . . . . . . . . 329 D HA . 27523 1 719 . 1 1 74 74 ASP HB2 H 1 2.610 . . . . . . . . 329 D HB2 . 27523 1 720 . 1 1 74 74 ASP HB3 H 1 2.545 . . . . . . . . 329 D HB3 . 27523 1 721 . 1 1 74 74 ASP CA C 13 57.540 . . . . . . . . 329 D CA . 27523 1 722 . 1 1 74 74 ASP CB C 13 40.439 . . . . . . . . 329 D CB . 27523 1 723 . 1 1 74 74 ASP N N 15 115.257 . . . . . . . . 329 D N . 27523 1 724 . 1 1 75 75 LYS H H 1 7.382 . . . . . . . . 330 K H . 27523 1 725 . 1 1 75 75 LYS HB2 H 1 1.748 . . . . . . . . 330 K HB2 . 27523 1 726 . 1 1 75 75 LYS HB3 H 1 1.403 . . . . . . . . 330 K HB3 . 27523 1 727 . 1 1 75 75 LYS HG2 H 1 1.367 . . . . . . . . 330 K HG2 . 27523 1 728 . 1 1 75 75 LYS HG3 H 1 1.260 . . . . . . . . 330 K HG3 . 27523 1 729 . 1 1 75 75 LYS HD2 H 1 1.718 . . . . . . . . 330 K QD . 27523 1 730 . 1 1 75 75 LYS HD3 H 1 1.718 . . . . . . . . 330 K QD . 27523 1 731 . 1 1 75 75 LYS HE2 H 1 2.826 . . . . . . . . 330 K QE . 27523 1 732 . 1 1 75 75 LYS HE3 H 1 2.826 . . . . . . . . 330 K QE . 27523 1 733 . 1 1 75 75 LYS CA C 13 59.537 . . . . . . . . 330 K CA . 27523 1 734 . 1 1 75 75 LYS CB C 13 33.169 . . . . . . . . 330 K CB . 27523 1 735 . 1 1 75 75 LYS CG C 13 26.414 . . . . . . . . 330 K CG . 27523 1 736 . 1 1 75 75 LYS CD C 13 29.948 . . . . . . . . 330 K CD . 27523 1 737 . 1 1 75 75 LYS CE C 13 42.134 . . . . . . . . 330 K CE . 27523 1 738 . 1 1 75 75 LYS N N 15 121.073 . . . . . . . . 330 K N . 27523 1 739 . 1 1 76 76 ILE H H 1 7.617 . . . . . . . . 331 I H . 27523 1 740 . 1 1 76 76 ILE HA H 1 3.977 . . . . . . . . 331 I HA . 27523 1 741 . 1 1 76 76 ILE HB H 1 1.815 . . . . . . . . 331 I HB . 27523 1 742 . 1 1 76 76 ILE HG12 H 1 0.715 . . . . . . . . 331 I HG12 . 27523 1 743 . 1 1 76 76 ILE HG13 H 1 0.700 . . . . . . . . 331 I HG13 . 27523 1 744 . 1 1 76 76 ILE HG21 H 1 0.889 . . . . . . . . 331 I QG2 . 27523 1 745 . 1 1 76 76 ILE HG22 H 1 0.889 . . . . . . . . 331 I QG2 . 27523 1 746 . 1 1 76 76 ILE HG23 H 1 0.889 . . . . . . . . 331 I QG2 . 27523 1 747 . 1 1 76 76 ILE HD11 H 1 0.691 . . . . . . . . 331 I QD1 . 27523 1 748 . 1 1 76 76 ILE HD12 H 1 0.691 . . . . . . . . 331 I QD1 . 27523 1 749 . 1 1 76 76 ILE HD13 H 1 0.691 . . . . . . . . 331 I QD1 . 27523 1 750 . 1 1 76 76 ILE CA C 13 66.252 . . . . . . . . 331 I CA . 27523 1 751 . 1 1 76 76 ILE CB C 13 38.285 . . . . . . . . 331 I CB . 27523 1 752 . 1 1 76 76 ILE CG1 C 13 29.876 . . . . . . . . 331 I CG1 . 27523 1 753 . 1 1 76 76 ILE CG2 C 13 18.023 . . . . . . . . 331 I CG2 . 27523 1 754 . 1 1 76 76 ILE CD1 C 13 13.600 . . . . . . . . 331 I CD1 . 27523 1 755 . 1 1 76 76 ILE N N 15 116.723 . . . . . . . . 331 I N . 27523 1 756 . 1 1 77 77 LEU H H 1 7.991 . . . . . . . . 332 L H . 27523 1 757 . 1 1 77 77 LEU HB2 H 1 1.577 . . . . . . . . 332 L HB2 . 27523 1 758 . 1 1 77 77 LEU HB3 H 1 1.550 . . . . . . . . 332 L HB3 . 27523 1 759 . 1 1 77 77 LEU HG H 1 1.375 . . . . . . . . 332 L HG . 27523 1 760 . 1 1 77 77 LEU HD11 H 1 0.382 . . . . . . . . 332 L QD1 . 27523 1 761 . 1 1 77 77 LEU HD12 H 1 0.382 . . . . . . . . 332 L QD1 . 27523 1 762 . 1 1 77 77 LEU HD13 H 1 0.382 . . . . . . . . 332 L QD1 . 27523 1 763 . 1 1 77 77 LEU HD21 H 1 0.273 . . . . . . . . 332 L QD2 . 27523 1 764 . 1 1 77 77 LEU HD22 H 1 0.273 . . . . . . . . 332 L QD2 . 27523 1 765 . 1 1 77 77 LEU HD23 H 1 0.273 . . . . . . . . 332 L QD2 . 27523 1 766 . 1 1 77 77 LEU CA C 13 58.145 . . . . . . . . 332 L CA . 27523 1 767 . 1 1 77 77 LEU CB C 13 41.813 . . . . . . . . 332 L CB . 27523 1 768 . 1 1 77 77 LEU CG C 13 26.474 . . . . . . . . 332 L CG . 27523 1 769 . 1 1 77 77 LEU CD1 C 13 24.650 . . . . . . . . 332 L CD1 . 27523 1 770 . 1 1 77 77 LEU CD2 C 13 23.970 . . . . . . . . 332 L CD2 . 27523 1 771 . 1 1 77 77 LEU N N 15 116.146 . . . . . . . . 332 L N . 27523 1 772 . 1 1 78 78 GLU H H 1 7.081 . . . . . . . . 333 E H . 27523 1 773 . 1 1 78 78 GLU HA H 1 3.637 . . . . . . . . 333 E HA . 27523 1 774 . 1 1 78 78 GLU HB2 H 1 2.099 . . . . . . . . 333 E HB2 . 27523 1 775 . 1 1 78 78 GLU HB3 H 1 1.986 . . . . . . . . 333 E HB3 . 27523 1 776 . 1 1 78 78 GLU HG2 H 1 2.289 . . . . . . . . 333 E HG2 . 27523 1 777 . 1 1 78 78 GLU HG3 H 1 2.188 . . . . . . . . 333 E HG3 . 27523 1 778 . 1 1 78 78 GLU CA C 13 58.795 . . . . . . . . 333 E CA . 27523 1 779 . 1 1 78 78 GLU CB C 13 29.494 . . . . . . . . 333 E CB . 27523 1 780 . 1 1 78 78 GLU CG C 13 36.224 . . . . . . . . 333 E CG . 27523 1 781 . 1 1 78 78 GLU N N 15 115.941 . . . . . . . . 333 E N . 27523 1 782 . 1 1 79 79 LEU H H 1 7.290 . . . . . . . . 334 L H . 27523 1 783 . 1 1 79 79 LEU HA H 1 4.031 . . . . . . . . 334 L HA . 27523 1 784 . 1 1 79 79 LEU HB2 H 1 1.763 . . . . . . . . 334 L HB2 . 27523 1 785 . 1 1 79 79 LEU HB3 H 1 1.325 . . . . . . . . 334 L HB3 . 27523 1 786 . 1 1 79 79 LEU HG H 1 1.637 . . . . . . . . 334 L HG . 27523 1 787 . 1 1 79 79 LEU HD11 H 1 0.771 . . . . . . . . 334 L QD1 . 27523 1 788 . 1 1 79 79 LEU HD12 H 1 0.771 . . . . . . . . 334 L QD1 . 27523 1 789 . 1 1 79 79 LEU HD13 H 1 0.771 . . . . . . . . 334 L QD1 . 27523 1 790 . 1 1 79 79 LEU HD21 H 1 0.797 . . . . . . . . 334 L QD2 . 27523 1 791 . 1 1 79 79 LEU HD22 H 1 0.797 . . . . . . . . 334 L QD2 . 27523 1 792 . 1 1 79 79 LEU HD23 H 1 0.797 . . . . . . . . 334 L QD2 . 27523 1 793 . 1 1 79 79 LEU CA C 13 55.672 . . . . . . . . 334 L CA . 27523 1 794 . 1 1 79 79 LEU CB C 13 43.015 . . . . . . . . 334 L CB . 27523 1 795 . 1 1 79 79 LEU CG C 13 27.525 . . . . . . . . 334 L CG . 27523 1 796 . 1 1 79 79 LEU CD1 C 13 26.929 . . . . . . . . 334 L CD1 . 27523 1 797 . 1 1 79 79 LEU CD2 C 13 24.080 . . . . . . . . 334 L CD2 . 27523 1 798 . 1 1 79 79 LEU N N 15 118.038 . . . . . . . . 334 L N . 27523 1 799 . 1 1 80 80 LEU H H 1 7.104 . . . . . . . . 335 L H . 27523 1 800 . 1 1 80 80 LEU HA H 1 4.262 . . . . . . . . 335 L HA . 27523 1 801 . 1 1 80 80 LEU N N 15 119.370 . . . . . . . . 335 L N . 27523 1 802 . 1 1 81 81 PRO HB2 H 1 2.258 . . . . . . . . 336 P HB2 . 27523 1 803 . 1 1 81 81 PRO HB3 H 1 1.852 . . . . . . . . 336 P HB3 . 27523 1 804 . 1 1 81 81 PRO HG2 H 1 1.773 . . . . . . . . 336 P HG2 . 27523 1 805 . 1 1 81 81 PRO HG3 H 1 1.728 . . . . . . . . 336 P HG3 . 27523 1 806 . 1 1 81 81 PRO CA C 13 62.259 . . . . . . . . 336 P CA . 27523 1 807 . 1 1 81 81 PRO CB C 13 33.778 . . . . . . . . 336 P CB . 27523 1 808 . 1 1 81 81 PRO CG C 13 26.602 . . . . . . . . 336 P CG . 27523 1 809 . 1 1 81 81 PRO CD C 13 49.625 . . . . . . . . 336 P CD . 27523 1 810 . 1 1 82 82 ARG H H 1 8.494 . . . . . . . . 337 R H . 27523 1 811 . 1 1 82 82 ARG HA H 1 3.850 . . . . . . . . 337 R HA . 27523 1 812 . 1 1 82 82 ARG HB2 H 1 1.727 . . . . . . . . 337 R HB2 . 27523 1 813 . 1 1 82 82 ARG HB3 H 1 1.659 . . . . . . . . 337 R HB3 . 27523 1 814 . 1 1 82 82 ARG HG2 H 1 1.531 . . . . . . . . 337 R HG2 . 27523 1 815 . 1 1 82 82 ARG HG3 H 1 1.490 . . . . . . . . 337 R HG3 . 27523 1 816 . 1 1 82 82 ARG HD2 H 1 3.085 . . . . . . . . 337 R QD . 27523 1 817 . 1 1 82 82 ARG HD3 H 1 3.085 . . . . . . . . 337 R QD . 27523 1 818 . 1 1 82 82 ARG CA C 13 58.256 . . . . . . . . 337 R CA . 27523 1 819 . 1 1 82 82 ARG CB C 13 30.041 . . . . . . . . 337 R CB . 27523 1 820 . 1 1 82 82 ARG CG C 13 26.562 . . . . . . . . 337 R CG . 27523 1 821 . 1 1 82 82 ARG CD C 13 43.219 . . . . . . . . 337 R CD . 27523 1 822 . 1 1 82 82 ARG N N 15 115.035 . . . . . . . . 337 R N . 27523 1 823 . 1 1 83 83 ASP H H 1 8.067 . . . . . . . . 338 D H . 27523 1 824 . 1 1 83 83 ASP HA H 1 4.572 . . . . . . . . 338 D HA . 27523 1 825 . 1 1 83 83 ASP HB2 H 1 3.085 . . . . . . . . 338 D HB2 . 27523 1 826 . 1 1 83 83 ASP HB3 H 1 2.398 . . . . . . . . 338 D HB3 . 27523 1 827 . 1 1 83 83 ASP CA C 13 52.126 . . . . . . . . 338 D CA . 27523 1 828 . 1 1 83 83 ASP CB C 13 38.887 . . . . . . . . 338 D CB . 27523 1 829 . 1 1 83 83 ASP N N 15 113.806 . . . . . . . . 338 D N . 27523 1 830 . 1 1 84 84 SER H H 1 7.370 . . . . . . . . 339 S H . 27523 1 831 . 1 1 84 84 SER N N 15 111.663 . . . . . . . . 339 S N . 27523 1 832 . 1 1 85 85 LYS H H 1 9.092 . . . . . . . . 340 K H . 27523 1 833 . 1 1 85 85 LYS HB2 H 1 1.152 . . . . . . . . 340 K HB2 . 27523 1 834 . 1 1 85 85 LYS HB3 H 1 1.109 . . . . . . . . 340 K HB3 . 27523 1 835 . 1 1 85 85 LYS HG2 H 1 1.014 . . . . . . . . 340 K HG2 . 27523 1 836 . 1 1 85 85 LYS HG3 H 1 0.916 . . . . . . . . 340 K HG3 . 27523 1 837 . 1 1 85 85 LYS CA C 13 59.071 . . . . . . . . 340 K CA . 27523 1 838 . 1 1 85 85 LYS CB C 13 31.672 . . . . . . . . 340 K CB . 27523 1 839 . 1 1 85 85 LYS CG C 13 25.115 . . . . . . . . 340 K CG . 27523 1 840 . 1 1 85 85 LYS N N 15 132.981 . . . . . . . . 340 K N . 27523 1 841 . 1 1 86 86 ALA H H 1 8.504 . . . . . . . . 341 A H . 27523 1 842 . 1 1 86 86 ALA HB1 H 1 1.047 . . . . . . . . 341 A HB . 27523 1 843 . 1 1 86 86 ALA HB2 H 1 1.047 . . . . . . . . 341 A HB . 27523 1 844 . 1 1 86 86 ALA HB3 H 1 1.047 . . . . . . . . 341 A HB . 27523 1 845 . 1 1 86 86 ALA CA C 13 53.334 . . . . . . . . 341 A CA . 27523 1 846 . 1 1 86 86 ALA CB C 13 19.253 . . . . . . . . 341 A CB . 27523 1 847 . 1 1 86 86 ALA N N 15 118.913 . . . . . . . . 341 A N . 27523 1 848 . 1 1 87 87 LYS H H 1 7.089 . . . . . . . . 342 K H . 27523 1 849 . 1 1 87 87 LYS HA H 1 4.246 . . . . . . . . 342 K HA . 27523 1 850 . 1 1 87 87 LYS HB2 H 1 1.939 . . . . . . . . 342 K HB2 . 27523 1 851 . 1 1 87 87 LYS HB3 H 1 1.481 . . . . . . . . 342 K HB3 . 27523 1 852 . 1 1 87 87 LYS HG2 H 1 1.091 . . . . . . . . 342 K HG2 . 27523 1 853 . 1 1 87 87 LYS HG3 H 1 1.009 . . . . . . . . 342 K HG3 . 27523 1 854 . 1 1 87 87 LYS HD2 H 1 1.550 . . . . . . . . 342 K HD2 . 27523 1 855 . 1 1 87 87 LYS HD3 H 1 1.443 . . . . . . . . 342 K HD3 . 27523 1 856 . 1 1 87 87 LYS HE2 H 1 2.683 . . . . . . . . 342 K HE2 . 27523 1 857 . 1 1 87 87 LYS HE3 H 1 2.662 . . . . . . . . 342 K HE3 . 27523 1 858 . 1 1 87 87 LYS CA C 13 55.281 . . . . . . . . 342 K CA . 27523 1 859 . 1 1 87 87 LYS CB C 13 32.560 . . . . . . . . 342 K CB . 27523 1 860 . 1 1 87 87 LYS CG C 13 26.202 . . . . . . . . 342 K CG . 27523 1 861 . 1 1 87 87 LYS CD C 13 28.455 . . . . . . . . 342 K CD . 27523 1 862 . 1 1 87 87 LYS CE C 13 42.903 . . . . . . . . 342 K CE . 27523 1 863 . 1 1 87 87 LYS N N 15 112.888 . . . . . . . . 342 K N . 27523 1 864 . 1 1 88 88 GLU H H 1 6.945 . . . . . . . . 343 E H . 27523 1 865 . 1 1 88 88 GLU HA H 1 4.091 . . . . . . . . 343 E HA . 27523 1 866 . 1 1 88 88 GLU HG2 H 1 2.255 . . . . . . . . 343 E HG2 . 27523 1 867 . 1 1 88 88 GLU HG3 H 1 2.178 . . . . . . . . 343 E HG3 . 27523 1 868 . 1 1 88 88 GLU CA C 13 57.588 . . . . . . . . 343 E CA . 27523 1 869 . 1 1 88 88 GLU CG C 13 36.310 . . . . . . . . 343 E CG . 27523 1 870 . 1 1 88 88 GLU N N 15 119.569 . . . . . . . . 343 E N . 27523 1 871 . 1 1 89 89 ASN H H 1 7.980 . . . . . . . . 344 N H . 27523 1 872 . 1 1 89 89 ASN CB C 13 38.928 . . . . . . . . 344 N CB . 27523 1 873 . 1 1 90 90 GLU H H 1 8.497 . . . . . . . . 345 E H . 27523 1 874 . 1 1 90 90 GLU CA C 13 56.621 . . . . . . . . 345 E CA . 27523 1 875 . 1 1 90 90 GLU CB C 13 29.492 . . . . . . . . 345 E CB . 27523 1 876 . 1 1 90 90 GLU CG C 13 36.234 . . . . . . . . 345 E CG . 27523 1 877 . 1 1 90 90 GLU N N 15 119.574 . . . . . . . . 345 E N . 27523 1 878 . 1 1 91 91 LYS H H 1 8.159 . . . . . . . . 346 K H . 27523 1 879 . 1 1 91 91 LYS N N 15 121.139 . . . . . . . . 346 K N . 27523 1 880 . 1 1 92 92 TRP HD1 H 1 7.232 . . . . . . . . 347 W HD1 . 27523 1 881 . 1 1 92 92 TRP HE1 H 1 10.148 . . . . . . . . 347 W HE1 . 27523 1 882 . 1 1 92 92 TRP HE3 H 1 7.537 . . . . . . . . 347 W HE3 . 27523 1 883 . 1 1 92 92 TRP HZ2 H 1 7.421 . . . . . . . . 347 W HZ2 . 27523 1 884 . 1 1 92 92 TRP HZ3 H 1 6.990 . . . . . . . . 347 W HZ3 . 27523 1 885 . 1 1 92 92 TRP HH2 H 1 7.079 . . . . . . . . 347 W HH2 . 27523 1 886 . 1 1 92 92 TRP CD1 C 13 127.516 . . . . . . . . 347 W CD1 . 27523 1 887 . 1 1 92 92 TRP CE3 C 13 121.192 . . . . . . . . 347 W CE3 . 27523 1 888 . 1 1 92 92 TRP CZ2 C 13 114.641 . . . . . . . . 347 W CZ2 . 27523 1 889 . 1 1 92 92 TRP CZ3 C 13 121.629 . . . . . . . . 347 W CZ3 . 27523 1 890 . 1 1 92 92 TRP CH2 C 13 124.316 . . . . . . . . 347 W CH2 . 27523 1 891 . 1 1 92 92 TRP NE1 N 15 129.344 . . . . . . . . 347 W NE1 . 27523 1 892 . 1 1 93 93 ASN H H 1 6.870 . . . . . . . . 348 N H . 27523 1 893 . 1 1 93 93 ASN HB2 H 1 3.203 . . . . . . . . 348 N HB2 . 27523 1 894 . 1 1 93 93 ASN HB3 H 1 2.949 . . . . . . . . 348 N HB3 . 27523 1 895 . 1 1 93 93 ASN CB C 13 37.782 . . . . . . . . 348 N CB . 27523 1 896 . 1 1 94 94 THR H H 1 7.787 . . . . . . . . 349 T H . 27523 1 897 . 1 1 94 94 THR HA H 1 4.188 . . . . . . . . 349 T HA . 27523 1 898 . 1 1 94 94 THR HG21 H 1 1.180 . . . . . . . . 349 T QG2 . 27523 1 899 . 1 1 94 94 THR HG22 H 1 1.180 . . . . . . . . 349 T QG2 . 27523 1 900 . 1 1 94 94 THR HG23 H 1 1.180 . . . . . . . . 349 T QG2 . 27523 1 901 . 1 1 94 94 THR CG2 C 13 22.692 . . . . . . . . 349 T CG2 . 27523 1 902 . 1 1 94 94 THR N N 15 116.339 . . . . . . . . 349 T N . 27523 1 903 . 1 1 95 95 GLN H H 1 7.935 . . . . . . . . 350 Q H . 27523 1 904 . 1 1 95 95 GLN HG2 H 1 2.324 . . . . . . . . 350 Q HG2 . 27523 1 905 . 1 1 95 95 GLN HG3 H 1 2.270 . . . . . . . . 350 Q HG3 . 27523 1 906 . 1 1 95 95 GLN CA C 13 57.987 . . . . . . . . 350 Q CA . 27523 1 907 . 1 1 95 95 GLN CG C 13 34.081 . . . . . . . . 350 Q CG . 27523 1 908 . 1 1 95 95 GLN N N 15 121.445 . . . . . . . . 350 Q N . 27523 1 909 . 1 1 96 96 LYS H H 1 8.109 . . . . . . . . 351 K H . 27523 1 910 . 1 1 96 96 LYS HB2 H 1 1.640 . . . . . . . . 351 K HB2 . 27523 1 911 . 1 1 96 96 LYS HB3 H 1 1.491 . . . . . . . . 351 K HB3 . 27523 1 912 . 1 1 96 96 LYS HG2 H 1 1.264 . . . . . . . . 351 K HG2 . 27523 1 913 . 1 1 96 96 LYS HG3 H 1 1.248 . . . . . . . . 351 K HG3 . 27523 1 914 . 1 1 96 96 LYS HE2 H 1 2.853 . . . . . . . . 351 K QE . 27523 1 915 . 1 1 96 96 LYS HE3 H 1 2.853 . . . . . . . . 351 K QE . 27523 1 916 . 1 1 96 96 LYS CA C 13 58.887 . . . . . . . . 351 K CA . 27523 1 917 . 1 1 96 96 LYS CB C 13 32.083 . . . . . . . . 351 K CB . 27523 1 918 . 1 1 96 96 LYS CG C 13 24.992 . . . . . . . . 351 K CG . 27523 1 919 . 1 1 96 96 LYS CE C 13 42.114 . . . . . . . . 351 K CE . 27523 1 920 . 1 1 96 96 LYS N N 15 118.268 . . . . . . . . 351 K N . 27523 1 921 . 1 1 97 97 TYR H H 1 7.792 . . . . . . . . 352 Y H . 27523 1 922 . 1 1 97 97 TYR HA H 1 4.088 . . . . . . . . 352 Y HA . 27523 1 923 . 1 1 97 97 TYR HB2 H 1 3.207 . . . . . . . . 352 Y HB2 . 27523 1 924 . 1 1 97 97 TYR HB3 H 1 2.952 . . . . . . . . 352 Y HB3 . 27523 1 925 . 1 1 97 97 TYR HD1 H 1 6.878 . . . . . . . . 352 Y QD . 27523 1 926 . 1 1 97 97 TYR HD2 H 1 6.878 . . . . . . . . 352 Y QD . 27523 1 927 . 1 1 97 97 TYR HE1 H 1 6.728 . . . . . . . . 352 Y QE . 27523 1 928 . 1 1 97 97 TYR HE2 H 1 6.728 . . . . . . . . 352 Y QE . 27523 1 929 . 1 1 97 97 TYR CA C 13 61.035 . . . . . . . . 352 Y CA . 27523 1 930 . 1 1 97 97 TYR CB C 13 37.747 . . . . . . . . 352 Y CB . 27523 1 931 . 1 1 97 97 TYR CD1 C 13 132.509 . . . . . . . . 352 Y CD . 27523 1 932 . 1 1 97 97 TYR CD2 C 13 132.509 . . . . . . . . 352 Y CD . 27523 1 933 . 1 1 97 97 TYR CE1 C 13 118.362 . . . . . . . . 352 Y CE . 27523 1 934 . 1 1 97 97 TYR CE2 C 13 118.362 . . . . . . . . 352 Y CE . 27523 1 935 . 1 1 97 97 TYR N N 15 118.346 . . . . . . . . 352 Y N . 27523 1 936 . 1 1 98 98 PHE H H 1 8.492 . . . . . . . . 353 F H . 27523 1 937 . 1 1 98 98 PHE HA H 1 4.145 . . . . . . . . 353 F HA . 27523 1 938 . 1 1 98 98 PHE HB2 H 1 3.219 . . . . . . . . 353 F HB2 . 27523 1 939 . 1 1 98 98 PHE HB3 H 1 3.159 . . . . . . . . 353 F HB3 . 27523 1 940 . 1 1 98 98 PHE HD1 H 1 7.033 . . . . . . . . 353 F HD1 . 27523 1 941 . 1 1 98 98 PHE HD2 H 1 7.070 . . . . . . . . 353 F HD2 . 27523 1 942 . 1 1 98 98 PHE HE1 H 1 7.194 . . . . . . . . 353 F HE1 . 27523 1 943 . 1 1 98 98 PHE HE2 H 1 7.081 . . . . . . . . 353 F HE2 . 27523 1 944 . 1 1 98 98 PHE HZ H 1 7.000 . . . . . . . . 353 F HZ . 27523 1 945 . 1 1 98 98 PHE CA C 13 59.638 . . . . . . . . 353 F CA . 27523 1 946 . 1 1 98 98 PHE CB C 13 39.241 . . . . . . . . 353 F CB . 27523 1 947 . 1 1 98 98 PHE CD1 C 13 131.143 . . . . . . . . 353 F CD1 . 27523 1 948 . 1 1 98 98 PHE CD2 C 13 131.067 . . . . . . . . 353 F CD2 . 27523 1 949 . 1 1 98 98 PHE CE1 C 13 132.147 . . . . . . . . 353 F CE1 . 27523 1 950 . 1 1 98 98 PHE CE2 C 13 130.632 . . . . . . . . 353 F CE2 . 27523 1 951 . 1 1 98 98 PHE CZ C 13 128.918 . . . . . . . . 353 F CZ . 27523 1 952 . 1 1 98 98 PHE N N 15 122.536 . . . . . . . . 353 F N . 27523 1 953 . 1 1 99 99 VAL H H 1 8.103 . . . . . . . . 354 V H . 27523 1 954 . 1 1 99 99 VAL HA H 1 3.043 . . . . . . . . 354 V HA . 27523 1 955 . 1 1 99 99 VAL HB H 1 1.731 . . . . . . . . 354 V HB . 27523 1 956 . 1 1 99 99 VAL HG11 H 1 0.556 . . . . . . . . 354 V QG1 . 27523 1 957 . 1 1 99 99 VAL HG12 H 1 0.556 . . . . . . . . 354 V QG1 . 27523 1 958 . 1 1 99 99 VAL HG13 H 1 0.556 . . . . . . . . 354 V QG1 . 27523 1 959 . 1 1 99 99 VAL HG21 H 1 0.575 . . . . . . . . 354 V QG2 . 27523 1 960 . 1 1 99 99 VAL HG22 H 1 0.575 . . . . . . . . 354 V QG2 . 27523 1 961 . 1 1 99 99 VAL HG23 H 1 0.575 . . . . . . . . 354 V QG2 . 27523 1 962 . 1 1 99 99 VAL CA C 13 66.620 . . . . . . . . 354 V CA . 27523 1 963 . 1 1 99 99 VAL CB C 13 31.223 . . . . . . . . 354 V CB . 27523 1 964 . 1 1 99 99 VAL CG1 C 13 21.932 . . . . . . . . 354 V CG1 . 27523 1 965 . 1 1 99 99 VAL CG2 C 13 21.279 . . . . . . . . 354 V CG2 . 27523 1 966 . 1 1 99 99 VAL N N 15 116.453 . . . . . . . . 354 V N . 27523 1 967 . 1 1 100 100 ILE H H 1 8.174 . . . . . . . . 355 I H . 27523 1 968 . 1 1 100 100 ILE HA H 1 3.607 . . . . . . . . 355 I HA . 27523 1 969 . 1 1 100 100 ILE HB H 1 1.779 . . . . . . . . 355 I HB . 27523 1 970 . 1 1 100 100 ILE HG12 H 1 1.562 . . . . . . . . 355 I HG12 . 27523 1 971 . 1 1 100 100 ILE HG13 H 1 1.116 . . . . . . . . 355 I HG13 . 27523 1 972 . 1 1 100 100 ILE HG21 H 1 0.813 . . . . . . . . 355 I QG2 . 27523 1 973 . 1 1 100 100 ILE HG22 H 1 0.813 . . . . . . . . 355 I QG2 . 27523 1 974 . 1 1 100 100 ILE HG23 H 1 0.813 . . . . . . . . 355 I QG2 . 27523 1 975 . 1 1 100 100 ILE HD11 H 1 0.754 . . . . . . . . 355 I QD1 . 27523 1 976 . 1 1 100 100 ILE HD12 H 1 0.754 . . . . . . . . 355 I QD1 . 27523 1 977 . 1 1 100 100 ILE HD13 H 1 0.754 . . . . . . . . 355 I QD1 . 27523 1 978 . 1 1 100 100 ILE CA C 13 65.073 . . . . . . . . 355 I CA . 27523 1 979 . 1 1 100 100 ILE CB C 13 37.435 . . . . . . . . 355 I CB . 27523 1 980 . 1 1 100 100 ILE CG1 C 13 29.313 . . . . . . . . 355 I CG1 . 27523 1 981 . 1 1 100 100 ILE CG2 C 13 17.185 . . . . . . . . 355 I CG2 . 27523 1 982 . 1 1 100 100 ILE CD1 C 13 13.268 . . . . . . . . 355 I CD1 . 27523 1 983 . 1 1 100 100 ILE N N 15 120.808 . . . . . . . . 355 I N . 27523 1 984 . 1 1 101 101 THR H H 1 7.829 . . . . . . . . 356 T H . 27523 1 985 . 1 1 101 101 THR HA H 1 3.719 . . . . . . . . 356 T HA . 27523 1 986 . 1 1 101 101 THR HG21 H 1 1.226 . . . . . . . . 356 T QG2 . 27523 1 987 . 1 1 101 101 THR HG22 H 1 1.226 . . . . . . . . 356 T QG2 . 27523 1 988 . 1 1 101 101 THR HG23 H 1 1.226 . . . . . . . . 356 T QG2 . 27523 1 989 . 1 1 101 101 THR CA C 13 68.140 . . . . . . . . 356 T CA . 27523 1 990 . 1 1 101 101 THR CB C 13 68.301 . . . . . . . . 356 T CB . 27523 1 991 . 1 1 101 101 THR CG2 C 13 21.637 . . . . . . . . 356 T CG2 . 27523 1 992 . 1 1 101 101 THR N N 15 118.628 . . . . . . . . 356 T N . 27523 1 993 . 1 1 102 102 LEU H H 1 8.482 . . . . . . . . 357 L H . 27523 1 994 . 1 1 102 102 LEU HA H 1 3.718 . . . . . . . . 357 L HA . 27523 1 995 . 1 1 102 102 LEU HB2 H 1 1.644 . . . . . . . . 357 L HB2 . 27523 1 996 . 1 1 102 102 LEU HB3 H 1 0.901 . . . . . . . . 357 L HB3 . 27523 1 997 . 1 1 102 102 LEU HG H 1 0.030 . . . . . . . . 357 L HG . 27523 1 998 . 1 1 102 102 LEU HD11 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 999 . 1 1 102 102 LEU HD12 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 1000 . 1 1 102 102 LEU HD13 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 1001 . 1 1 102 102 LEU HD21 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 1002 . 1 1 102 102 LEU HD22 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 1003 . 1 1 102 102 LEU HD23 H 1 0.439 . . . . . . . . 357 L QQD . 27523 1 1004 . 1 1 102 102 LEU CA C 13 58.249 . . . . . . . . 357 L CA . 27523 1 1005 . 1 1 102 102 LEU CB C 13 42.577 . . . . . . . . 357 L CB . 27523 1 1006 . 1 1 102 102 LEU CG C 13 25.530 . . . . . . . . 357 L CG . 27523 1 1007 . 1 1 102 102 LEU CD1 C 13 23.404 . . . . . . . . 357 L CD . 27523 1 1008 . 1 1 102 102 LEU CD2 C 13 23.404 . . . . . . . . 357 L CD . 27523 1 1009 . 1 1 102 102 LEU N N 15 120.398 . . . . . . . . 357 L N . 27523 1 1010 . 1 1 103 103 SER H H 1 8.136 . . . . . . . . 358 S H . 27523 1 1011 . 1 1 103 103 SER HA H 1 4.094 . . . . . . . . 358 S HA . 27523 1 1012 . 1 1 103 103 SER CA C 13 61.854 . . . . . . . . 358 S CA . 27523 1 1013 . 1 1 103 103 SER CB C 13 62.973 . . . . . . . . 358 S CB . 27523 1 1014 . 1 1 103 103 SER N N 15 112.879 . . . . . . . . 358 S N . 27523 1 1015 . 1 1 104 104 LYS H H 1 8.268 . . . . . . . . 359 K H . 27523 1 1016 . 1 1 104 104 LYS HA H 1 4.133 . . . . . . . . 359 K HA . 27523 1 1017 . 1 1 104 104 LYS HB2 H 1 2.113 . . . . . . . . 359 K HB2 . 27523 1 1018 . 1 1 104 104 LYS HB3 H 1 2.065 . . . . . . . . 359 K HB3 . 27523 1 1019 . 1 1 104 104 LYS HG2 H 1 1.674 . . . . . . . . 359 K HG2 . 27523 1 1020 . 1 1 104 104 LYS HG3 H 1 1.461 . . . . . . . . 359 K HG3 . 27523 1 1021 . 1 1 104 104 LYS HE2 H 1 2.669 . . . . . . . . 359 K QE . 27523 1 1022 . 1 1 104 104 LYS HE3 H 1 2.669 . . . . . . . . 359 K QE . 27523 1 1023 . 1 1 104 104 LYS CA C 13 59.704 . . . . . . . . 359 K CA . 27523 1 1024 . 1 1 104 104 LYS CB C 13 32.889 . . . . . . . . 359 K CB . 27523 1 1025 . 1 1 104 104 LYS CG C 13 25.546 . . . . . . . . 359 K CG . 27523 1 1026 . 1 1 104 104 LYS N N 15 122.759 . . . . . . . . 359 K N . 27523 1 1027 . 1 1 105 105 ALA H H 1 8.851 . . . . . . . . 360 A H . 27523 1 1028 . 1 1 105 105 ALA HA H 1 3.930 . . . . . . . . 360 A HA . 27523 1 1029 . 1 1 105 105 ALA HB1 H 1 1.173 . . . . . . . . 360 A HB . 27523 1 1030 . 1 1 105 105 ALA HB2 H 1 1.173 . . . . . . . . 360 A HB . 27523 1 1031 . 1 1 105 105 ALA HB3 H 1 1.173 . . . . . . . . 360 A HB . 27523 1 1032 . 1 1 105 105 ALA CA C 13 55.372 . . . . . . . . 360 A CA . 27523 1 1033 . 1 1 105 105 ALA CB C 13 18.440 . . . . . . . . 360 A CB . 27523 1 1034 . 1 1 105 105 ALA N N 15 123.707 . . . . . . . . 360 A N . 27523 1 1035 . 1 1 106 106 TRP H H 1 8.867 . . . . . . . . 361 W H . 27523 1 1036 . 1 1 106 106 TRP HB2 H 1 3.234 . . . . . . . . 361 W HB2 . 27523 1 1037 . 1 1 106 106 TRP HB3 H 1 3.192 . . . . . . . . 361 W HB3 . 27523 1 1038 . 1 1 106 106 TRP HD1 H 1 7.035 . . . . . . . . 361 W HD1 . 27523 1 1039 . 1 1 106 106 TRP HE1 H 1 10.003 . . . . . . . . 361 W HE1 . 27523 1 1040 . 1 1 106 106 TRP HE3 H 1 7.567 . . . . . . . . 361 W HE3 . 27523 1 1041 . 1 1 106 106 TRP HZ2 H 1 7.191 . . . . . . . . 361 W HZ2 . 27523 1 1042 . 1 1 106 106 TRP HZ3 H 1 6.725 . . . . . . . . 361 W HZ3 . 27523 1 1043 . 1 1 106 106 TRP HH2 H 1 6.815 . . . . . . . . 361 W HH2 . 27523 1 1044 . 1 1 106 106 TRP CA C 13 58.556 . . . . . . . . 361 W CA . 27523 1 1045 . 1 1 106 106 TRP CB C 13 30.499 . . . . . . . . 361 W CB . 27523 1 1046 . 1 1 106 106 TRP CD1 C 13 126.791 . . . . . . . . 361 W CD1 . 27523 1 1047 . 1 1 106 106 TRP CE3 C 13 122.048 . . . . . . . . 361 W CE3 . 27523 1 1048 . 1 1 106 106 TRP CZ2 C 13 113.434 . . . . . . . . 361 W CZ2 . 27523 1 1049 . 1 1 106 106 TRP CZ3 C 13 120.798 . . . . . . . . 361 W CZ3 . 27523 1 1050 . 1 1 106 106 TRP CH2 C 13 123.162 . . . . . . . . 361 W CH2 . 27523 1 1051 . 1 1 106 106 TRP N N 15 119.182 . . . . . . . . 361 W N . 27523 1 1052 . 1 1 106 106 TRP NE1 N 15 126.977 . . . . . . . . 361 W NE1 . 27523 1 1053 . 1 1 107 107 SER H H 1 7.715 . . . . . . . . 362 S H . 27523 1 1054 . 1 1 107 107 SER HA H 1 3.803 . . . . . . . . 362 S HA . 27523 1 1055 . 1 1 107 107 SER CA C 13 62.066 . . . . . . . . 362 S CA . 27523 1 1056 . 1 1 107 107 SER CB C 13 62.971 . . . . . . . . 362 S CB . 27523 1 1057 . 1 1 107 107 SER N N 15 111.614 . . . . . . . . 362 S N . 27523 1 1058 . 1 1 108 108 VAL H H 1 7.218 . . . . . . . . 363 V H . 27523 1 1059 . 1 1 108 108 VAL HA H 1 3.717 . . . . . . . . 363 V HA . 27523 1 1060 . 1 1 108 108 VAL HB H 1 2.298 . . . . . . . . 363 V HB . 27523 1 1061 . 1 1 108 108 VAL HG11 H 1 1.229 . . . . . . . . 363 V QG1 . 27523 1 1062 . 1 1 108 108 VAL HG12 H 1 1.229 . . . . . . . . 363 V QG1 . 27523 1 1063 . 1 1 108 108 VAL HG13 H 1 1.229 . . . . . . . . 363 V QG1 . 27523 1 1064 . 1 1 108 108 VAL HG21 H 1 0.919 . . . . . . . . 363 V QG2 . 27523 1 1065 . 1 1 108 108 VAL HG22 H 1 0.919 . . . . . . . . 363 V QG2 . 27523 1 1066 . 1 1 108 108 VAL HG23 H 1 0.919 . . . . . . . . 363 V QG2 . 27523 1 1067 . 1 1 108 108 VAL CA C 13 65.696 . . . . . . . . 363 V CA . 27523 1 1068 . 1 1 108 108 VAL CB C 13 32.063 . . . . . . . . 363 V CB . 27523 1 1069 . 1 1 108 108 VAL CG1 C 13 22.379 . . . . . . . . 363 V CG1 . 27523 1 1070 . 1 1 108 108 VAL CG2 C 13 21.379 . . . . . . . . 363 V CG2 . 27523 1 1071 . 1 1 108 108 VAL N N 15 120.008 . . . . . . . . 363 V N . 27523 1 1072 . 1 1 109 109 VAL H H 1 8.129 . . . . . . . . 364 V H . 27523 1 1073 . 1 1 109 109 VAL HA H 1 3.477 . . . . . . . . 364 V HA . 27523 1 1074 . 1 1 109 109 VAL HB H 1 1.927 . . . . . . . . 364 V HB . 27523 1 1075 . 1 1 109 109 VAL HG11 H 1 0.910 . . . . . . . . 364 V QG1 . 27523 1 1076 . 1 1 109 109 VAL HG12 H 1 0.910 . . . . . . . . 364 V QG1 . 27523 1 1077 . 1 1 109 109 VAL HG13 H 1 0.910 . . . . . . . . 364 V QG1 . 27523 1 1078 . 1 1 109 109 VAL HG21 H 1 0.765 . . . . . . . . 364 V QG2 . 27523 1 1079 . 1 1 109 109 VAL HG22 H 1 0.765 . . . . . . . . 364 V QG2 . 27523 1 1080 . 1 1 109 109 VAL HG23 H 1 0.765 . . . . . . . . 364 V QG2 . 27523 1 1081 . 1 1 109 109 VAL CA C 13 65.910 . . . . . . . . 364 V CA . 27523 1 1082 . 1 1 109 109 VAL CB C 13 31.744 . . . . . . . . 364 V CB . 27523 1 1083 . 1 1 109 109 VAL CG1 C 13 23.838 . . . . . . . . 364 V CG1 . 27523 1 1084 . 1 1 109 109 VAL CG2 C 13 21.943 . . . . . . . . 364 V CG2 . 27523 1 1085 . 1 1 109 109 VAL N N 15 119.826 . . . . . . . . 364 V N . 27523 1 1086 . 1 1 110 110 LYS H H 1 8.385 . . . . . . . . 365 K H . 27523 1 1087 . 1 1 110 110 LYS HA H 1 3.087 . . . . . . . . 365 K HA . 27523 1 1088 . 1 1 110 110 LYS HB2 H 1 0.573 . . . . . . . . 365 K QB . 27523 1 1089 . 1 1 110 110 LYS HB3 H 1 0.573 . . . . . . . . 365 K QB . 27523 1 1090 . 1 1 110 110 LYS HG2 H 1 0.799 . . . . . . . . 365 K HG2 . 27523 1 1091 . 1 1 110 110 LYS HG3 H 1 0.573 . . . . . . . . 365 K HG3 . 27523 1 1092 . 1 1 110 110 LYS HD2 H 1 1.161 . . . . . . . . 365 K QD . 27523 1 1093 . 1 1 110 110 LYS HD3 H 1 1.161 . . . . . . . . 365 K QD . 27523 1 1094 . 1 1 110 110 LYS HE2 H 1 2.684 . . . . . . . . 365 K HE2 . 27523 1 1095 . 1 1 110 110 LYS HE3 H 1 2.601 . . . . . . . . 365 K HE3 . 27523 1 1096 . 1 1 110 110 LYS CA C 13 59.520 . . . . . . . . 365 K CA . 27523 1 1097 . 1 1 110 110 LYS CB C 13 30.746 . . . . . . . . 365 K CB . 27523 1 1098 . 1 1 110 110 LYS CG C 13 24.051 . . . . . . . . 365 K CG . 27523 1 1099 . 1 1 110 110 LYS CD C 13 29.294 . . . . . . . . 365 K CD . 27523 1 1100 . 1 1 110 110 LYS CE C 13 41.721 . . . . . . . . 365 K CE . 27523 1 1101 . 1 1 110 110 LYS N N 15 119.987 . . . . . . . . 365 K N . 27523 1 1102 . 1 1 111 111 LYS H H 1 6.859 . . . . . . . . 366 K H . 27523 1 1103 . 1 1 111 111 LYS HA H 1 3.904 . . . . . . . . 366 K HA . 27523 1 1104 . 1 1 111 111 LYS HB2 H 1 1.600 . . . . . . . . 366 K QB . 27523 1 1105 . 1 1 111 111 LYS HB3 H 1 1.600 . . . . . . . . 366 K QB . 27523 1 1106 . 1 1 111 111 LYS HG2 H 1 2.010 . . . . . . . . 366 K HG2 . 27523 1 1107 . 1 1 111 111 LYS HG3 H 1 1.174 . . . . . . . . 366 K HG3 . 27523 1 1108 . 1 1 111 111 LYS HD2 H 1 1.515 . . . . . . . . 366 K QD . 27523 1 1109 . 1 1 111 111 LYS HD3 H 1 1.515 . . . . . . . . 366 K QD . 27523 1 1110 . 1 1 111 111 LYS HE2 H 1 2.829 . . . . . . . . 366 K QE . 27523 1 1111 . 1 1 111 111 LYS HE3 H 1 2.829 . . . . . . . . 366 K QE . 27523 1 1112 . 1 1 111 111 LYS CA C 13 57.942 . . . . . . . . 366 K CA . 27523 1 1113 . 1 1 111 111 LYS CB C 13 31.899 . . . . . . . . 366 K CB . 27523 1 1114 . 1 1 111 111 LYS CG C 13 24.605 . . . . . . . . 366 K CG . 27523 1 1115 . 1 1 111 111 LYS CD C 13 29.021 . . . . . . . . 366 K CD . 27523 1 1116 . 1 1 111 111 LYS CE C 13 42.001 . . . . . . . . 366 K CE . 27523 1 1117 . 1 1 111 111 LYS N N 15 116.145 . . . . . . . . 366 K N . 27523 1 1118 . 1 1 112 112 TYR H H 1 7.514 . . . . . . . . 367 Y H . 27523 1 1119 . 1 1 112 112 TYR HB2 H 1 3.145 . . . . . . . . 367 Y HB2 . 27523 1 1120 . 1 1 112 112 TYR HB3 H 1 2.924 . . . . . . . . 367 Y HB3 . 27523 1 1121 . 1 1 112 112 TYR HD1 H 1 7.047 . . . . . . . . 367 Y QD . 27523 1 1122 . 1 1 112 112 TYR HD2 H 1 7.047 . . . . . . . . 367 Y QD . 27523 1 1123 . 1 1 112 112 TYR HE1 H 1 6.722 . . . . . . . . 367 Y QE . 27523 1 1124 . 1 1 112 112 TYR HE2 H 1 6.722 . . . . . . . . 367 Y QE . 27523 1 1125 . 1 1 112 112 TYR CA C 13 59.037 . . . . . . . . 367 Y CA . 27523 1 1126 . 1 1 112 112 TYR CB C 13 38.017 . . . . . . . . 367 Y CB . 27523 1 1127 . 1 1 112 112 TYR CD1 C 13 133.059 . . . . . . . . 367 Y CD . 27523 1 1128 . 1 1 112 112 TYR CD2 C 13 133.059 . . . . . . . . 367 Y CD . 27523 1 1129 . 1 1 112 112 TYR CE1 C 13 118.257 . . . . . . . . 367 Y CE . 27523 1 1130 . 1 1 112 112 TYR CE2 C 13 118.257 . . . . . . . . 367 Y CE . 27523 1 1131 . 1 1 112 112 TYR N N 15 118.569 . . . . . . . . 367 Y N . 27523 1 1132 . 1 1 113 113 LEU H H 1 7.684 . . . . . . . . 368 L H . 27523 1 1133 . 1 1 113 113 LEU HA H 1 4.098 . . . . . . . . 368 L HA . 27523 1 1134 . 1 1 113 113 LEU HB2 H 1 1.604 . . . . . . . . 368 L HB2 . 27523 1 1135 . 1 1 113 113 LEU HB3 H 1 1.488 . . . . . . . . 368 L HB3 . 27523 1 1136 . 1 1 113 113 LEU HG H 1 1.656 . . . . . . . . 368 L HG . 27523 1 1137 . 1 1 113 113 LEU HD11 H 1 1.600 . . . . . . . . 368 L QD1 . 27523 1 1138 . 1 1 113 113 LEU HD12 H 1 1.600 . . . . . . . . 368 L QD1 . 27523 1 1139 . 1 1 113 113 LEU HD13 H 1 1.600 . . . . . . . . 368 L QD1 . 27523 1 1140 . 1 1 113 113 LEU HD21 H 1 0.816 . . . . . . . . 368 L QD2 . 27523 1 1141 . 1 1 113 113 LEU HD22 H 1 0.816 . . . . . . . . 368 L QD2 . 27523 1 1142 . 1 1 113 113 LEU HD23 H 1 0.816 . . . . . . . . 368 L QD2 . 27523 1 1143 . 1 1 113 113 LEU CA C 13 55.482 . . . . . . . . 368 L CA . 27523 1 1144 . 1 1 113 113 LEU CB C 13 42.499 . . . . . . . . 368 L CB . 27523 1 1145 . 1 1 113 113 LEU CG C 13 26.648 . . . . . . . . 368 L CG . 27523 1 1146 . 1 1 113 113 LEU CD1 C 13 25.621 . . . . . . . . 368 L CD1 . 27523 1 1147 . 1 1 113 113 LEU CD2 C 13 22.501 . . . . . . . . 368 L CD2 . 27523 1 1148 . 1 1 113 113 LEU N N 15 119.213 . . . . . . . . 368 L N . 27523 1 1149 . 1 1 114 114 GLU H H 1 7.699 . . . . . . . . 369 E H . 27523 1 1150 . 1 1 114 114 GLU HA H 1 4.134 . . . . . . . . 369 E HA . 27523 1 1151 . 1 1 114 114 GLU HB2 H 1 1.987 . . . . . . . . 369 E HB2 . 27523 1 1152 . 1 1 114 114 GLU HB3 H 1 1.844 . . . . . . . . 369 E HB3 . 27523 1 1153 . 1 1 114 114 GLU HG2 H 1 2.236 . . . . . . . . 369 E HG2 . 27523 1 1154 . 1 1 114 114 GLU HG3 H 1 2.133 . . . . . . . . 369 E HG3 . 27523 1 1155 . 1 1 114 114 GLU CA C 13 56.387 . . . . . . . . 369 E CA . 27523 1 1156 . 1 1 114 114 GLU CB C 13 29.940 . . . . . . . . 369 E CB . 27523 1 1157 . 1 1 114 114 GLU CG C 13 36.306 . . . . . . . . 369 E CG . 27523 1 1158 . 1 1 114 114 GLU N N 15 119.446 . . . . . . . . 369 E N . 27523 1 1159 . 1 1 115 115 ALA H H 1 7.519 . . . . . . . . 370 A H . 27523 1 1160 . 1 1 115 115 ALA HA H 1 3.992 . . . . . . . . 370 A HA . 27523 1 1161 . 1 1 115 115 ALA HB1 H 1 1.241 . . . . . . . . 370 A HB . 27523 1 1162 . 1 1 115 115 ALA HB2 H 1 1.241 . . . . . . . . 370 A HB . 27523 1 1163 . 1 1 115 115 ALA HB3 H 1 1.241 . . . . . . . . 370 A HB . 27523 1 1164 . 1 1 115 115 ALA CB C 13 20.040 . . . . . . . . 370 A CB . 27523 1 1165 . 1 1 115 115 ALA N N 15 129.507 . . . . . . . . 370 A N . 27523 1 stop_ save_