data_34291 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34291 _Entry.Title ; NMR structure of the DNA-bound helix bundle domain from the functional pRN1 primase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-21 _Entry.Accession_date 2018-06-21 _Entry.Last_release_date 2018-10-17 _Entry.Original_release_date 2018-10-17 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34291 stop_ 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 J. Boudet J. . . . 34291 2 G. Lipps G. . . . 34291 3 F. Allain F. H.-T. . . 34291 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34291 primase . 34291 'replication initiation' . 34291 'single-stranded DNA' . 34291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 34291 '15N chemical shifts' 104 34291 '1H chemical shifts' 779 34291 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-29 2018-06-15 update BMRB 'update entry citation' 34291 1 . . 2018-12-19 2018-06-15 original author 'original release' 34291 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GVU . 34291 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34291 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30595448 _Citation.Full_citation . _Citation.Title ; A Small Helical Bundle Prepares Primer Synthesis by Binding Two Nucleotides that Enhance Sequence-Specific Recognition of the DNA Template ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 176 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 154 _Citation.Page_last 166 _Citation.Year 2019 _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 J. Boudet J. . . . 34291 1 2 J. Devillier J. C. . . 34291 1 3 T. Wiegand T. . . . 34291 1 4 L. Salmon L. . . . 34291 1 5 B. Meier B. H. . . 34291 1 6 G. Lipps G. . . . 34291 1 7 F. Allain F. H.-T. . . 34291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34291 _Assembly.ID 1 _Assembly.Name 'functional pRN1 primase/DNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34291 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34291 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 2 CYS 29 29 SG . 2 . 2 CYS 42 42 SG . . . 284 CYS SG . . . 297 CYS SG 34291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34291 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CTGTGCTCA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2706.785 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'DNA template of the pRN1 primase' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 34291 1 2 . DT . 34291 1 3 . DG . 34291 1 4 . DT . 34291 1 5 . DG . 34291 1 6 . DC . 34291 1 7 . DT . 34291 1 8 . DC . 34291 1 9 . DA . 34291 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 . DC 1 1 34291 1 . DT 2 2 34291 1 . DG 3 3 34291 1 . DT 4 4 34291 1 . DG 5 5 34291 1 . DC 6 6 34291 1 . DT 7 7 34291 1 . DC 8 8 34291 1 . DA 9 9 34291 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34291 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13528.738 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'helix bundle domain of the functional pRN1 primase' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 256 THR . 34291 2 2 257 VAL . 34291 2 3 258 VAL . 34291 2 4 259 GLU . 34291 2 5 260 PHE . 34291 2 6 261 GLU . 34291 2 7 262 GLU . 34291 2 8 263 LEU . 34291 2 9 264 ARG . 34291 2 10 265 LYS . 34291 2 11 266 GLU . 34291 2 12 267 LEU . 34291 2 13 268 VAL . 34291 2 14 269 LYS . 34291 2 15 270 ARG . 34291 2 16 271 ASP . 34291 2 17 272 SER . 34291 2 18 273 GLY . 34291 2 19 274 LYS . 34291 2 20 275 PRO . 34291 2 21 276 VAL . 34291 2 22 277 GLU . 34291 2 23 278 LYS . 34291 2 24 279 ILE . 34291 2 25 280 LYS . 34291 2 26 281 GLU . 34291 2 27 282 GLU . 34291 2 28 283 ILE . 34291 2 29 284 CYS . 34291 2 30 285 THR . 34291 2 31 286 LYS . 34291 2 32 287 SER . 34291 2 33 288 PRO . 34291 2 34 289 PRO . 34291 2 35 290 LYS . 34291 2 36 291 LEU . 34291 2 37 292 ILE . 34291 2 38 293 LYS . 34291 2 39 294 GLU . 34291 2 40 295 ILE . 34291 2 41 296 ILE . 34291 2 42 297 CYS . 34291 2 43 298 GLU . 34291 2 44 299 ASN . 34291 2 45 300 LYS . 34291 2 46 301 THR . 34291 2 47 302 TYR . 34291 2 48 303 ALA . 34291 2 49 304 ASP . 34291 2 50 305 VAL . 34291 2 51 306 ASN . 34291 2 52 307 ILE . 34291 2 53 308 ASP . 34291 2 54 309 ARG . 34291 2 55 310 SER . 34291 2 56 311 ARG . 34291 2 57 312 GLY . 34291 2 58 313 ASP . 34291 2 59 314 TRP . 34291 2 60 315 HIS . 34291 2 61 316 VAL . 34291 2 62 317 ILE . 34291 2 63 318 LEU . 34291 2 64 319 TYR . 34291 2 65 320 LEU . 34291 2 66 321 MET . 34291 2 67 322 LYS . 34291 2 68 323 HIS . 34291 2 69 324 GLY . 34291 2 70 325 VAL . 34291 2 71 326 THR . 34291 2 72 327 ASP . 34291 2 73 328 PRO . 34291 2 74 329 ASP . 34291 2 75 330 LYS . 34291 2 76 331 ILE . 34291 2 77 332 LEU . 34291 2 78 333 GLU . 34291 2 79 334 LEU . 34291 2 80 335 LEU . 34291 2 81 336 PRO . 34291 2 82 337 ARG . 34291 2 83 338 ASP . 34291 2 84 339 SER . 34291 2 85 340 LYS . 34291 2 86 341 ALA . 34291 2 87 342 LYS . 34291 2 88 343 GLU . 34291 2 89 344 ASN . 34291 2 90 345 GLU . 34291 2 91 346 LYS . 34291 2 92 347 TRP . 34291 2 93 348 ASN . 34291 2 94 349 THR . 34291 2 95 350 GLN . 34291 2 96 351 LYS . 34291 2 97 352 TYR . 34291 2 98 353 PHE . 34291 2 99 354 VAL . 34291 2 100 355 ILE . 34291 2 101 356 THR . 34291 2 102 357 LEU . 34291 2 103 358 SER . 34291 2 104 359 LYS . 34291 2 105 360 ALA . 34291 2 106 361 TRP . 34291 2 107 362 SER . 34291 2 108 363 VAL . 34291 2 109 364 VAL . 34291 2 110 365 LYS . 34291 2 111 366 LYS . 34291 2 112 367 TYR . 34291 2 113 368 LEU . 34291 2 114 369 GLU . 34291 2 115 370 ALA . 34291 2 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 34291 2 . VAL 2 2 34291 2 . VAL 3 3 34291 2 . GLU 4 4 34291 2 . PHE 5 5 34291 2 . GLU 6 6 34291 2 . GLU 7 7 34291 2 . LEU 8 8 34291 2 . ARG 9 9 34291 2 . LYS 10 10 34291 2 . GLU 11 11 34291 2 . LEU 12 12 34291 2 . VAL 13 13 34291 2 . LYS 14 14 34291 2 . ARG 15 15 34291 2 . ASP 16 16 34291 2 . SER 17 17 34291 2 . GLY 18 18 34291 2 . LYS 19 19 34291 2 . PRO 20 20 34291 2 . VAL 21 21 34291 2 . GLU 22 22 34291 2 . LYS 23 23 34291 2 . ILE 24 24 34291 2 . LYS 25 25 34291 2 . GLU 26 26 34291 2 . GLU 27 27 34291 2 . ILE 28 28 34291 2 . CYS 29 29 34291 2 . THR 30 30 34291 2 . LYS 31 31 34291 2 . SER 32 32 34291 2 . PRO 33 33 34291 2 . PRO 34 34 34291 2 . LYS 35 35 34291 2 . LEU 36 36 34291 2 . ILE 37 37 34291 2 . LYS 38 38 34291 2 . GLU 39 39 34291 2 . ILE 40 40 34291 2 . ILE 41 41 34291 2 . CYS 42 42 34291 2 . GLU 43 43 34291 2 . ASN 44 44 34291 2 . LYS 45 45 34291 2 . THR 46 46 34291 2 . TYR 47 47 34291 2 . ALA 48 48 34291 2 . ASP 49 49 34291 2 . VAL 50 50 34291 2 . ASN 51 51 34291 2 . ILE 52 52 34291 2 . ASP 53 53 34291 2 . ARG 54 54 34291 2 . SER 55 55 34291 2 . ARG 56 56 34291 2 . GLY 57 57 34291 2 . ASP 58 58 34291 2 . TRP 59 59 34291 2 . HIS 60 60 34291 2 . VAL 61 61 34291 2 . ILE 62 62 34291 2 . LEU 63 63 34291 2 . TYR 64 64 34291 2 . LEU 65 65 34291 2 . MET 66 66 34291 2 . LYS 67 67 34291 2 . HIS 68 68 34291 2 . GLY 69 69 34291 2 . VAL 70 70 34291 2 . THR 71 71 34291 2 . ASP 72 72 34291 2 . PRO 73 73 34291 2 . ASP 74 74 34291 2 . LYS 75 75 34291 2 . ILE 76 76 34291 2 . LEU 77 77 34291 2 . GLU 78 78 34291 2 . LEU 79 79 34291 2 . LEU 80 80 34291 2 . PRO 81 81 34291 2 . ARG 82 82 34291 2 . ASP 83 83 34291 2 . SER 84 84 34291 2 . LYS 85 85 34291 2 . ALA 86 86 34291 2 . LYS 87 87 34291 2 . GLU 88 88 34291 2 . ASN 89 89 34291 2 . GLU 90 90 34291 2 . LYS 91 91 34291 2 . TRP 92 92 34291 2 . ASN 93 93 34291 2 . THR 94 94 34291 2 . GLN 95 95 34291 2 . LYS 96 96 34291 2 . TYR 97 97 34291 2 . PHE 98 98 34291 2 . VAL 99 99 34291 2 . ILE 100 100 34291 2 . THR 101 101 34291 2 . LEU 102 102 34291 2 . SER 103 103 34291 2 . LYS 104 104 34291 2 . ALA 105 105 34291 2 . TRP 106 106 34291 2 . SER 107 107 34291 2 . VAL 108 108 34291 2 . VAL 109 109 34291 2 . LYS 110 110 34291 2 . LYS 111 111 34291 2 . TYR 112 112 34291 2 . LEU 113 113 34291 2 . GLU 114 114 34291 2 . ALA 115 115 34291 2 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 34291 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 43080 organism . 'Sulfolobus islandicus' 'Sulfolobus islandicus' . . Archaea . Sulfolobus islandicus . . . . . . . . . . . . . 34291 1 2 2 $entity_2 . 43080 organism . 'Sulfolobus islandicus' 'Sulfolobus islandicus' . . Archaea . Sulfolobus islandicus . . . . . . . . . . . . . 34291 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 34291 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34291 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET28b . . . 34291 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34291 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA-bound helix bundle domain' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 1.0 . . mM 0.1 . . . 34291 1 2 "DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3')" 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM 0.1 . . . 34291 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34291 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34291 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O ; _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 'DNA-bound helix bundle domain' '[U-100% 13C]' . . 2 $entity_2 . . 0.7 . . mM 0.1 . . . 34291 2 2 "DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3')" 'natural abundance' . . 1 $entity_1 . . 0.7 . . mM 0.1 . . . 34291 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34291 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34291 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA-bound helix bundle domain' '[U-99% 15N]' . . 2 $entity_2 . . 1.1 . . mM 0.1 . . . 34291 3 2 "DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3')" 'natural abundance' . . 1 $entity_1 . . 1.1 . . mM 0.1 . . . 34291 3 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34291 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34291 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA-bound helix bundle domain' 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 34291 4 2 "DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3')" 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 34291 4 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 34291 4 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 34291 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34291 1 pH 5.5 . pH 34291 1 pressure 1 . atm 34291 1 temperature 323 . K 34291 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 34291 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34291 2 pH 5.5 . pH 34291 2 pressure 1 . atm 34291 2 temperature 298 . K 34291 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34291 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34291 3 pH 7.0 . pH 34291 3 pressure 1 . atm 34291 3 temperature 298 . K 34291 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34291 _Software.ID 1 _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 . . 34291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34291 1 'data analysis' 34291 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34291 _Software.ID 2 _Software.Type . _Software.Name 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' . . 34291 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34291 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34291 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34291 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34291 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34291 _Software.ID 4 _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' . . 34291 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34291 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34291 _Software.ID 5 _Software.Type . _Software.Name AMBER _Software.Version . _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' . . 34291 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34291 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34291 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34291 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34291 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34291 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 900 . . . 34291 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34291 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 600 . . . 34291 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 34291 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34291 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34291 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34291 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34291 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34291 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34291 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 18 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 19 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 20 2D-F1fF2f-NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 21 2D-F2f-NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 22 '3D 13C-aliphatic Hfiltered-Hedited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 23 '3D 13C-aromatic Hfiltered-Hedited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 24 '3D 13C-aliphatic Hfiltered-Hedited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 25 '3D 13C-aromatic Hfiltered-Hedited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34291 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34291 _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 . . . . . 34291 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34291 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34291 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34291 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34291 1 2 '3D HN(CO)CA' . . . 34291 1 3 '3D HNCACB' . . . 34291 1 4 '3D CBCA(CO)NH' . . . 34291 1 5 '3D C(CO)NH' . . . 34291 1 6 '3D H(CCO)NH' . . . 34291 1 7 '3D 1H-15N NOESY' . . . 34291 1 8 '3D 1H-13C NOESY aliphatic' . . . 34291 1 9 '3D 1H-13C NOESY aromatic' . . . 34291 1 10 '3D 1H-13C NOESY aromatic' . . . 34291 1 11 '2D 1H-15N HSQC' . . . 34291 1 12 '2D 1H-15N HSQC' . . . 34291 1 13 '2D 1H-15N HSQC' . . . 34291 1 14 '3D 1H-15N NOESY' . . . 34291 1 15 '3D 1H-15N NOESY' . . . 34291 1 16 '2D 1H-1H NOESY' . . . 34291 1 17 '2D 1H-1H NOESY' . . . 34291 1 18 '2D 1H-1H TOCSY' . . . 34291 1 19 '2D 1H-1H TOCSY' . . . 34291 1 20 2D-F1fF2f-NOESY . . . 34291 1 21 2D-F2f-NOESY . . . 34291 1 22 '3D 13C-aliphatic Hfiltered-Hedited NOESY' . . . 34291 1 23 '3D 13C-aromatic Hfiltered-Hedited NOESY' . . . 34291 1 24 '3D 13C-aliphatic Hfiltered-Hedited NOESY' . . . 34291 1 25 '3D 13C-aromatic Hfiltered-Hedited NOESY' . . . 34291 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 DC H1' H 1 6.210 0.000 . . . . . . A 1 DC H1' . 34291 1 2 . 1 1 1 1 DC H2' H 1 2.293 0.000 . . . . . . A 1 DC H2' . 34291 1 3 . 1 1 1 1 DC H2'' H 1 2.577 0.000 . . . . . . A 1 DC H2'' . 34291 1 4 . 1 1 1 1 DC H3' H 1 4.759 0.000 . . . . . . A 1 DC H3' . 34291 1 5 . 1 1 1 1 DC H4' H 1 4.189 0.000 . . . . . . A 1 DC H4' . 34291 1 6 . 1 1 1 1 DC H5 H 1 6.015 0.000 . . . . . . A 1 DC H5 . 34291 1 7 . 1 1 1 1 DC H5' H 1 3.810 0.000 . . . . . . A 1 DC H5' . 34291 1 8 . 1 1 1 1 DC H5'' H 1 3.810 0.000 . . . . . . A 1 DC H5'' . 34291 1 9 . 1 1 1 1 DC H6 H 1 7.791 0.000 . . . . . . A 1 DC H6 . 34291 1 10 . 1 1 2 2 DT H1' H 1 6.164 0.000 . . . . . . A 2 DT H1' . 34291 1 11 . 1 1 2 2 DT H2' H 1 2.036 0.000 . . . . . . A 2 DT H2' . 34291 1 12 . 1 1 2 2 DT H2'' H 1 2.372 0.000 . . . . . . A 2 DT H2'' . 34291 1 13 . 1 1 2 2 DT H3' H 1 4.817 0.000 . . . . . . A 2 DT H3' . 34291 1 14 . 1 1 2 2 DT H4' H 1 4.181 0.000 . . . . . . A 2 DT H4' . 34291 1 15 . 1 1 2 2 DT H5' H 1 3.989 0.000 . . . . . . A 2 DT H5' . 34291 1 16 . 1 1 2 2 DT H5'' H 1 3.989 0.000 . . . . . . A 2 DT H5'' . 34291 1 17 . 1 1 2 2 DT H6 H 1 7.526 0.000 . . . . . . A 2 DT H6 . 34291 1 18 . 1 1 2 2 DT H71 H 1 1.905 0.000 . . . . . . A 2 DT H71 . 34291 1 19 . 1 1 2 2 DT H72 H 1 1.905 0.000 . . . . . . A 2 DT H72 . 34291 1 20 . 1 1 2 2 DT H73 H 1 1.905 0.000 . . . . . . A 2 DT H73 . 34291 1 21 . 1 1 3 3 DG H1' H 1 6.068 0.000 . . . . . . A 3 DG H1' . 34291 1 22 . 1 1 3 3 DG H2' H 1 2.631 0.000 . . . . . . A 3 DG H2' . 34291 1 23 . 1 1 3 3 DG H2'' H 1 2.753 0.000 . . . . . . A 3 DG H2'' . 34291 1 24 . 1 1 3 3 DG H3' H 1 4.960 0.000 . . . . . . A 3 DG H3' . 34291 1 25 . 1 1 3 3 DG H4' H 1 4.369 0.000 . . . . . . A 3 DG H4' . 34291 1 26 . 1 1 3 3 DG H5' H 1 4.173 0.000 . . . . . . A 3 DG H5' . 34291 1 27 . 1 1 3 3 DG H5'' H 1 4.173 0.000 . . . . . . A 3 DG H5'' . 34291 1 28 . 1 1 3 3 DG H8 H 1 7.891 0.000 . . . . . . A 3 DG H8 . 34291 1 29 . 1 1 4 4 DT H1' H 1 6.044 0.000 . . . . . . A 4 DT H1' . 34291 1 30 . 1 1 4 4 DT H2' H 1 2.599 0.000 . . . . . . A 4 DT H2' . 34291 1 31 . 1 1 4 4 DT H2'' H 1 2.740 0.000 . . . . . . A 4 DT H2'' . 34291 1 32 . 1 1 4 4 DT H3' H 1 4.741 0.000 . . . . . . A 4 DT H3' . 34291 1 33 . 1 1 4 4 DT H4' H 1 4.160 0.000 . . . . . . A 4 DT H4' . 34291 1 34 . 1 1 4 4 DT H5' H 1 4.088 0.000 . . . . . . A 4 DT H5' . 34291 1 35 . 1 1 4 4 DT H5'' H 1 4.088 0.000 . . . . . . A 4 DT H5'' . 34291 1 36 . 1 1 4 4 DT H6 H 1 7.216 0.000 . . . . . . A 4 DT H6 . 34291 1 37 . 1 1 4 4 DT H71 H 1 1.761 0.000 . . . . . . A 4 DT H71 . 34291 1 38 . 1 1 4 4 DT H72 H 1 1.761 0.000 . . . . . . A 4 DT H72 . 34291 1 39 . 1 1 4 4 DT H73 H 1 1.761 0.000 . . . . . . A 4 DT H73 . 34291 1 40 . 1 1 5 5 DG H1' H 1 6.062 0.000 . . . . . . A 5 DG H1' . 34291 1 41 . 1 1 5 5 DG H2' H 1 2.336 0.000 . . . . . . A 5 DG H2' . 34291 1 42 . 1 1 5 5 DG H2'' H 1 2.622 0.000 . . . . . . A 5 DG H2'' . 34291 1 43 . 1 1 5 5 DG H3' H 1 4.918 0.000 . . . . . . A 5 DG H3' . 34291 1 44 . 1 1 5 5 DG H4' H 1 4.171 0.000 . . . . . . A 5 DG H4' . 34291 1 45 . 1 1 5 5 DG H5' H 1 4.173 0.000 . . . . . . A 5 DG H5' . 34291 1 46 . 1 1 5 5 DG H5'' H 1 4.173 0.000 . . . . . . A 5 DG H5'' . 34291 1 47 . 1 1 5 5 DG H8 H 1 7.884 0.000 . . . . . . A 5 DG H8 . 34291 1 48 . 1 1 6 6 DC H1' H 1 6.308 0.000 . . . . . . A 6 DC H1' . 34291 1 49 . 1 1 6 6 DC H2' H 1 2.328 0.000 . . . . . . A 6 DC H2' . 34291 1 50 . 1 1 6 6 DC H2'' H 1 2.646 0.000 . . . . . . A 6 DC H2'' . 34291 1 51 . 1 1 6 6 DC H3' H 1 4.909 0.000 . . . . . . A 6 DC H3' . 34291 1 52 . 1 1 6 6 DC H4' H 1 4.415 0.000 . . . . . . A 6 DC H4' . 34291 1 53 . 1 1 6 6 DC H5 H 1 6.036 0.000 . . . . . . A 6 DC H5 . 34291 1 54 . 1 1 6 6 DC H5' H 1 4.298 0.000 . . . . . . A 6 DC H5' . 34291 1 55 . 1 1 6 6 DC H5'' H 1 4.184 0.000 . . . . . . A 6 DC H5'' . 34291 1 56 . 1 1 6 6 DC H6 H 1 7.861 0.000 . . . . . . A 6 DC H6 . 34291 1 57 . 1 1 7 7 DT H1' H 1 6.241 0.000 . . . . . . A 7 DT H1' . 34291 1 58 . 1 1 7 7 DT H2' H 1 2.313 0.000 . . . . . . A 7 DT H2' . 34291 1 59 . 1 1 7 7 DT H2'' H 1 2.506 0.000 . . . . . . A 7 DT H2'' . 34291 1 60 . 1 1 7 7 DT H3' H 1 4.898 0.000 . . . . . . A 7 DT H3' . 34291 1 61 . 1 1 7 7 DT H4' H 1 4.361 0.000 . . . . . . A 7 DT H4' . 34291 1 62 . 1 1 7 7 DT H5' H 1 4.173 0.000 . . . . . . A 7 DT H5' . 34291 1 63 . 1 1 7 7 DT H5'' H 1 4.173 0.000 . . . . . . A 7 DT H5'' . 34291 1 64 . 1 1 7 7 DT H6 H 1 7.623 0.000 . . . . . . A 7 DT H6 . 34291 1 65 . 1 1 7 7 DT H71 H 1 1.877 0.000 . . . . . . A 7 DT H71 . 34291 1 66 . 1 1 7 7 DT H72 H 1 1.877 0.000 . . . . . . A 7 DT H72 . 34291 1 67 . 1 1 7 7 DT H73 H 1 1.877 0.000 . . . . . . A 7 DT H73 . 34291 1 68 . 1 1 8 8 DC H1' H 1 6.209 0.000 . . . . . . A 8 DC H1' . 34291 1 69 . 1 1 8 8 DC H2' H 1 2.004 0.000 . . . . . . A 8 DC H2' . 34291 1 70 . 1 1 8 8 DC H2'' H 1 2.423 0.000 . . . . . . A 8 DC H2'' . 34291 1 71 . 1 1 8 8 DC H3' H 1 4.827 0.000 . . . . . . A 8 DC H3' . 34291 1 72 . 1 1 8 8 DC H4' H 1 4.253 0.000 . . . . . . A 8 DC H4' . 34291 1 73 . 1 1 8 8 DC H5 H 1 6.082 0.000 . . . . . . A 8 DC H5 . 34291 1 74 . 1 1 8 8 DC H5' H 1 4.068 0.000 . . . . . . A 8 DC H5' . 34291 1 75 . 1 1 8 8 DC H5'' H 1 4.068 0.000 . . . . . . A 8 DC H5'' . 34291 1 76 . 1 1 8 8 DC H6 H 1 7.727 0.000 . . . . . . A 8 DC H6 . 34291 1 77 . 1 1 9 9 DA H1' H 1 6.484 0.000 . . . . . . A 9 DA H1' . 34291 1 78 . 1 1 9 9 DA H2' H 1 2.636 0.000 . . . . . . A 9 DA H2' . 34291 1 79 . 1 1 9 9 DA H2'' H 1 2.861 0.000 . . . . . . A 9 DA H2'' . 34291 1 80 . 1 1 9 9 DA H3' H 1 4.792 0.000 . . . . . . A 9 DA H3' . 34291 1 81 . 1 1 9 9 DA H4' H 1 4.148 0.000 . . . . . . A 9 DA H4' . 34291 1 82 . 1 1 9 9 DA H8 H 1 8.438 0.000 . . . . . . A 9 DA H8 . 34291 1 83 . 2 2 2 2 VAL H H 1 8.361 0.007 . . . . . . B 257 VAL H . 34291 1 84 . 2 2 2 2 VAL HA H 1 4.187 0.003 . . . . . . B 257 VAL HA . 34291 1 85 . 2 2 2 2 VAL HB H 1 2.339 0.007 . . . . . . B 257 VAL HB . 34291 1 86 . 2 2 2 2 VAL HG11 H 1 1.174 0.002 . . . . . . B 257 VAL HG11 . 34291 1 87 . 2 2 2 2 VAL HG12 H 1 1.174 0.002 . . . . . . B 257 VAL HG12 . 34291 1 88 . 2 2 2 2 VAL HG13 H 1 1.174 0.002 . . . . . . B 257 VAL HG13 . 34291 1 89 . 2 2 2 2 VAL HG21 H 1 1.174 0.002 . . . . . . B 257 VAL HG21 . 34291 1 90 . 2 2 2 2 VAL HG22 H 1 1.174 0.002 . . . . . . B 257 VAL HG22 . 34291 1 91 . 2 2 2 2 VAL HG23 H 1 1.174 0.002 . . . . . . B 257 VAL HG23 . 34291 1 92 . 2 2 2 2 VAL CA C 13 64.261 0.000 . . . . . . B 257 VAL CA . 34291 1 93 . 2 2 2 2 VAL CB C 13 32.401 0.000 . . . . . . B 257 VAL CB . 34291 1 94 . 2 2 2 2 VAL CG1 C 13 21.630 0.000 . . . . . . B 257 VAL CG1 . 34291 1 95 . 2 2 2 2 VAL N N 15 121.227 0.000 . . . . . . B 257 VAL N . 34291 1 96 . 2 2 3 3 VAL H H 1 8.002 0.001 . . . . . . B 258 VAL H . 34291 1 97 . 2 2 3 3 VAL HA H 1 4.061 0.002 . . . . . . B 258 VAL HA . 34291 1 98 . 2 2 3 3 VAL HB H 1 2.250 0.001 . . . . . . B 258 VAL HB . 34291 1 99 . 2 2 3 3 VAL HG11 H 1 1.155 0.001 . . . . . . B 258 VAL HG11 . 34291 1 100 . 2 2 3 3 VAL HG12 H 1 1.155 0.001 . . . . . . B 258 VAL HG12 . 34291 1 101 . 2 2 3 3 VAL HG13 H 1 1.155 0.001 . . . . . . B 258 VAL HG13 . 34291 1 102 . 2 2 3 3 VAL HG21 H 1 1.155 0.001 . . . . . . B 258 VAL HG21 . 34291 1 103 . 2 2 3 3 VAL HG22 H 1 1.155 0.001 . . . . . . B 258 VAL HG22 . 34291 1 104 . 2 2 3 3 VAL HG23 H 1 1.155 0.001 . . . . . . B 258 VAL HG23 . 34291 1 105 . 2 2 3 3 VAL CA C 13 64.096 0.000 . . . . . . B 258 VAL CA . 34291 1 106 . 2 2 3 3 VAL CB C 13 32.507 0.000 . . . . . . B 258 VAL CB . 34291 1 107 . 2 2 3 3 VAL CG1 C 13 21.426 0.000 . . . . . . B 258 VAL CG1 . 34291 1 108 . 2 2 3 3 VAL N N 15 121.983 0.000 . . . . . . B 258 VAL N . 34291 1 109 . 2 2 4 4 GLU H H 1 8.367 0.001 . . . . . . B 259 GLU H . 34291 1 110 . 2 2 4 4 GLU HA H 1 4.467 0.002 . . . . . . B 259 GLU HA . 34291 1 111 . 2 2 4 4 GLU HB2 H 1 2.319 0.003 . . . . . . B 259 GLU HB2 . 34291 1 112 . 2 2 4 4 GLU HB3 H 1 2.319 0.003 . . . . . . B 259 GLU HB3 . 34291 1 113 . 2 2 4 4 GLU HG2 H 1 2.530 0.000 . . . . . . B 259 GLU HG2 . 34291 1 114 . 2 2 4 4 GLU HG3 H 1 2.530 0.000 . . . . . . B 259 GLU HG3 . 34291 1 115 . 2 2 4 4 GLU CA C 13 57.976 0.000 . . . . . . B 259 GLU CA . 34291 1 116 . 2 2 4 4 GLU CB C 13 30.110 0.000 . . . . . . B 259 GLU CB . 34291 1 117 . 2 2 4 4 GLU CG C 13 36.892 0.000 . . . . . . B 259 GLU CG . 34291 1 118 . 2 2 4 4 GLU N N 15 122.162 0.000 . . . . . . B 259 GLU N . 34291 1 119 . 2 2 5 5 PHE H H 1 8.691 0.001 . . . . . . B 260 PHE H . 34291 1 120 . 2 2 5 5 PHE HA H 1 4.547 0.001 . . . . . . B 260 PHE HA . 34291 1 121 . 2 2 5 5 PHE HB2 H 1 3.426 0.004 . . . . . . B 260 PHE HB2 . 34291 1 122 . 2 2 5 5 PHE HB3 H 1 3.426 0.004 . . . . . . B 260 PHE HB3 . 34291 1 123 . 2 2 5 5 PHE HD2 H 1 7.444 0.005 . . . . . . B 260 PHE HD2 . 34291 1 124 . 2 2 5 5 PHE HE2 H 1 6.961 0.002 . . . . . . B 260 PHE HE2 . 34291 1 125 . 2 2 5 5 PHE HZ H 1 7.277 0.012 . . . . . . B 260 PHE HZ . 34291 1 126 . 2 2 5 5 PHE CB C 13 39.281 0.010 . . . . . . B 260 PHE CB . 34291 1 127 . 2 2 5 5 PHE CD2 C 13 132.343 0.000 . . . . . . B 260 PHE CD2 . 34291 1 128 . 2 2 5 5 PHE CE2 C 13 131.839 0.000 . . . . . . B 260 PHE CE2 . 34291 1 129 . 2 2 5 5 PHE CZ C 13 129.085 0.000 . . . . . . B 260 PHE CZ . 34291 1 130 . 2 2 5 5 PHE N N 15 122.030 0.000 . . . . . . B 260 PHE N . 34291 1 131 . 2 2 6 6 GLU H H 1 8.583 0.003 . . . . . . B 261 GLU H . 34291 1 132 . 2 2 6 6 GLU HA H 1 4.093 0.003 . . . . . . B 261 GLU HA . 34291 1 133 . 2 2 6 6 GLU HB2 H 1 2.335 0.008 . . . . . . B 261 GLU HB2 . 34291 1 134 . 2 2 6 6 GLU HB3 H 1 2.217 0.000 . . . . . . B 261 GLU HB3 . 34291 1 135 . 2 2 6 6 GLU HG2 H 1 2.541 0.004 . . . . . . B 261 GLU HG2 . 34291 1 136 . 2 2 6 6 GLU HG3 H 1 2.541 0.004 . . . . . . B 261 GLU HG3 . 34291 1 137 . 2 2 6 6 GLU CA C 13 59.721 0.000 . . . . . . B 261 GLU CA . 34291 1 138 . 2 2 6 6 GLU CB C 13 29.159 0.000 . . . . . . B 261 GLU CB . 34291 1 139 . 2 2 6 6 GLU CG C 13 36.208 0.006 . . . . . . B 261 GLU CG . 34291 1 140 . 2 2 6 6 GLU N N 15 118.544 0.000 . . . . . . B 261 GLU N . 34291 1 141 . 2 2 7 7 GLU H H 1 7.802 0.001 . . . . . . B 262 GLU H . 34291 1 142 . 2 2 7 7 GLU HA H 1 4.220 0.002 . . . . . . B 262 GLU HA . 34291 1 143 . 2 2 7 7 GLU HB2 H 1 2.248 0.000 . . . . . . B 262 GLU HB2 . 34291 1 144 . 2 2 7 7 GLU HB3 H 1 2.248 0.000 . . . . . . B 262 GLU HB3 . 34291 1 145 . 2 2 7 7 GLU HG2 H 1 2.477 0.004 . . . . . . B 262 GLU HG2 . 34291 1 146 . 2 2 7 7 GLU HG3 H 1 2.477 0.004 . . . . . . B 262 GLU HG3 . 34291 1 147 . 2 2 7 7 GLU CA C 13 58.982 0.000 . . . . . . B 262 GLU CA . 34291 1 148 . 2 2 7 7 GLU CB C 13 29.473 0.000 . . . . . . B 262 GLU CB . 34291 1 149 . 2 2 7 7 GLU CG C 13 36.228 0.000 . . . . . . B 262 GLU CG . 34291 1 150 . 2 2 7 7 GLU N N 15 117.545 0.000 . . . . . . B 262 GLU N . 34291 1 151 . 2 2 8 8 LEU H H 1 7.776 0.005 . . . . . . B 263 LEU H . 34291 1 152 . 2 2 8 8 LEU HA H 1 4.264 0.001 . . . . . . B 263 LEU HA . 34291 1 153 . 2 2 8 8 LEU HB2 H 1 1.884 0.000 . . . . . . B 263 LEU HB2 . 34291 1 154 . 2 2 8 8 LEU HB3 H 1 1.699 0.003 . . . . . . B 263 LEU HB3 . 34291 1 155 . 2 2 8 8 LEU HG H 1 1.440 0.000 . . . . . . B 263 LEU HG . 34291 1 156 . 2 2 8 8 LEU HD11 H 1 0.970 0.001 . . . . . . B 263 LEU HD11 . 34291 1 157 . 2 2 8 8 LEU HD12 H 1 0.970 0.001 . . . . . . B 263 LEU HD12 . 34291 1 158 . 2 2 8 8 LEU HD13 H 1 0.970 0.001 . . . . . . B 263 LEU HD13 . 34291 1 159 . 2 2 8 8 LEU HD21 H 1 0.970 0.001 . . . . . . B 263 LEU HD21 . 34291 1 160 . 2 2 8 8 LEU HD22 H 1 0.970 0.001 . . . . . . B 263 LEU HD22 . 34291 1 161 . 2 2 8 8 LEU HD23 H 1 0.970 0.001 . . . . . . B 263 LEU HD23 . 34291 1 162 . 2 2 8 8 LEU CA C 13 57.836 0.000 . . . . . . B 263 LEU CA . 34291 1 163 . 2 2 8 8 LEU CB C 13 41.478 0.001 . . . . . . B 263 LEU CB . 34291 1 164 . 2 2 8 8 LEU CG C 13 26.987 0.000 . . . . . . B 263 LEU CG . 34291 1 165 . 2 2 8 8 LEU CD1 C 13 23.317 0.000 . . . . . . B 263 LEU CD1 . 34291 1 166 . 2 2 8 8 LEU CD2 C 13 23.317 0.000 . . . . . . B 263 LEU CD2 . 34291 1 167 . 2 2 8 8 LEU N N 15 122.163 0.000 . . . . . . B 263 LEU N . 34291 1 168 . 2 2 9 9 ARG H H 1 8.754 0.001 . . . . . . B 264 ARG H . 34291 1 169 . 2 2 9 9 ARG HB2 H 1 1.733 0.017 . . . . . . B 264 ARG HB2 . 34291 1 170 . 2 2 9 9 ARG HB3 H 1 1.733 0.017 . . . . . . B 264 ARG HB3 . 34291 1 171 . 2 2 9 9 ARG HG2 H 1 1.431 0.006 . . . . . . B 264 ARG HG2 . 34291 1 172 . 2 2 9 9 ARG HG3 H 1 1.431 0.006 . . . . . . B 264 ARG HG3 . 34291 1 173 . 2 2 9 9 ARG HD2 H 1 3.288 0.002 . . . . . . B 264 ARG HD2 . 34291 1 174 . 2 2 9 9 ARG HD3 H 1 3.288 0.002 . . . . . . B 264 ARG HD3 . 34291 1 175 . 2 2 9 9 ARG CB C 13 29.562 0.000 . . . . . . B 264 ARG CB . 34291 1 176 . 2 2 9 9 ARG CG C 13 27.481 0.000 . . . . . . B 264 ARG CG . 34291 1 177 . 2 2 9 9 ARG CD C 13 43.345 0.002 . . . . . . B 264 ARG CD . 34291 1 178 . 2 2 9 9 ARG N N 15 118.707 0.000 . . . . . . B 264 ARG N . 34291 1 179 . 2 2 10 10 LYS H H 1 7.569 0.001 . . . . . . B 265 LYS H . 34291 1 180 . 2 2 10 10 LYS HA H 1 3.973 0.002 . . . . . . B 265 LYS HA . 34291 1 181 . 2 2 10 10 LYS HB2 H 1 2.034 0.000 . . . . . . B 265 LYS HB2 . 34291 1 182 . 2 2 10 10 LYS HB3 H 1 2.034 0.000 . . . . . . B 265 LYS HB3 . 34291 1 183 . 2 2 10 10 LYS HG2 H 1 1.554 0.000 . . . . . . B 265 LYS HG2 . 34291 1 184 . 2 2 10 10 LYS HG3 H 1 1.554 0.000 . . . . . . B 265 LYS HG3 . 34291 1 185 . 2 2 10 10 LYS HE2 H 1 3.120 0.007 . . . . . . B 265 LYS HE2 . 34291 1 186 . 2 2 10 10 LYS HE3 H 1 3.120 0.007 . . . . . . B 265 LYS HE3 . 34291 1 187 . 2 2 10 10 LYS CA C 13 60.033 0.000 . . . . . . B 265 LYS CA . 34291 1 188 . 2 2 10 10 LYS CB C 13 32.701 0.000 . . . . . . B 265 LYS CB . 34291 1 189 . 2 2 10 10 LYS CG C 13 25.544 0.009 . . . . . . B 265 LYS CG . 34291 1 190 . 2 2 10 10 LYS CE C 13 42.263 0.002 . . . . . . B 265 LYS CE . 34291 1 191 . 2 2 10 10 LYS N N 15 115.661 0.000 . . . . . . B 265 LYS N . 34291 1 192 . 2 2 11 11 GLU H H 1 7.418 0.000 . . . . . . B 266 GLU H . 34291 1 193 . 2 2 11 11 GLU HA H 1 4.136 0.000 . . . . . . B 266 GLU HA . 34291 1 194 . 2 2 11 11 GLU HB2 H 1 2.207 0.000 . . . . . . B 266 GLU HB2 . 34291 1 195 . 2 2 11 11 GLU HB3 H 1 2.214 0.000 . . . . . . B 266 GLU HB3 . 34291 1 196 . 2 2 11 11 GLU HG2 H 1 2.415 0.000 . . . . . . B 266 GLU HG2 . 34291 1 197 . 2 2 11 11 GLU HG3 H 1 2.373 0.000 . . . . . . B 266 GLU HG3 . 34291 1 198 . 2 2 11 11 GLU CB C 13 29.618 0.000 . . . . . . B 266 GLU CB . 34291 1 199 . 2 2 11 11 GLU CG C 13 35.843 0.000 . . . . . . B 266 GLU CG . 34291 1 200 . 2 2 11 11 GLU N N 15 119.518 0.000 . . . . . . B 266 GLU N . 34291 1 201 . 2 2 12 12 LEU H H 1 8.289 0.003 . . . . . . B 267 LEU H . 34291 1 202 . 2 2 12 12 LEU HA H 1 3.437 0.002 . . . . . . B 267 LEU HA . 34291 1 203 . 2 2 12 12 LEU HB2 H 1 1.995 0.004 . . . . . . B 267 LEU HB2 . 34291 1 204 . 2 2 12 12 LEU HB3 H 1 1.627 0.000 . . . . . . B 267 LEU HB3 . 34291 1 205 . 2 2 12 12 LEU HG H 1 0.629 0.002 . . . . . . B 267 LEU HG . 34291 1 206 . 2 2 12 12 LEU HD11 H 1 -0.103 0.002 . . . . . . B 267 LEU HD11 . 34291 1 207 . 2 2 12 12 LEU HD12 H 1 -0.103 0.002 . . . . . . B 267 LEU HD12 . 34291 1 208 . 2 2 12 12 LEU HD13 H 1 -0.103 0.002 . . . . . . B 267 LEU HD13 . 34291 1 209 . 2 2 12 12 LEU HD21 H 1 -0.103 0.002 . . . . . . B 267 LEU HD21 . 34291 1 210 . 2 2 12 12 LEU HD22 H 1 -0.103 0.002 . . . . . . B 267 LEU HD22 . 34291 1 211 . 2 2 12 12 LEU HD23 H 1 -0.103 0.002 . . . . . . B 267 LEU HD23 . 34291 1 212 . 2 2 12 12 LEU CA C 13 57.924 0.000 . . . . . . B 267 LEU CA . 34291 1 213 . 2 2 12 12 LEU CB C 13 39.769 0.002 . . . . . . B 267 LEU CB . 34291 1 214 . 2 2 12 12 LEU CG C 13 25.862 0.000 . . . . . . B 267 LEU CG . 34291 1 215 . 2 2 12 12 LEU CD1 C 13 20.950 0.000 . . . . . . B 267 LEU CD1 . 34291 1 216 . 2 2 12 12 LEU CD2 C 13 20.950 0.000 . . . . . . B 267 LEU CD2 . 34291 1 217 . 2 2 12 12 LEU N N 15 118.416 0.000 . . . . . . B 267 LEU N . 34291 1 218 . 2 2 13 13 VAL H H 1 8.638 0.001 . . . . . . B 268 VAL H . 34291 1 219 . 2 2 13 13 VAL HA H 1 3.618 0.000 . . . . . . B 268 VAL HA . 34291 1 220 . 2 2 13 13 VAL HB H 1 2.255 0.000 . . . . . . B 268 VAL HB . 34291 1 221 . 2 2 13 13 VAL HG11 H 1 1.120 0.002 . . . . . . B 268 VAL HG11 . 34291 1 222 . 2 2 13 13 VAL HG12 H 1 1.120 0.002 . . . . . . B 268 VAL HG12 . 34291 1 223 . 2 2 13 13 VAL HG13 H 1 1.120 0.002 . . . . . . B 268 VAL HG13 . 34291 1 224 . 2 2 13 13 VAL HG21 H 1 1.200 0.000 . . . . . . B 268 VAL HG21 . 34291 1 225 . 2 2 13 13 VAL HG22 H 1 1.200 0.000 . . . . . . B 268 VAL HG22 . 34291 1 226 . 2 2 13 13 VAL HG23 H 1 1.200 0.000 . . . . . . B 268 VAL HG23 . 34291 1 227 . 2 2 13 13 VAL CB C 13 31.552 0.000 . . . . . . B 268 VAL CB . 34291 1 228 . 2 2 13 13 VAL CG1 C 13 21.490 0.000 . . . . . . B 268 VAL CG1 . 34291 1 229 . 2 2 13 13 VAL CG2 C 13 23.015 0.000 . . . . . . B 268 VAL CG2 . 34291 1 230 . 2 2 13 13 VAL N N 15 118.793 0.000 . . . . . . B 268 VAL N . 34291 1 231 . 2 2 14 14 LYS H H 1 7.428 0.003 . . . . . . B 269 LYS H . 34291 1 232 . 2 2 14 14 LYS HA H 1 4.233 0.004 . . . . . . B 269 LYS HA . 34291 1 233 . 2 2 14 14 LYS HB2 H 1 2.087 0.004 . . . . . . B 269 LYS HB2 . 34291 1 234 . 2 2 14 14 LYS HB3 H 1 2.087 0.004 . . . . . . B 269 LYS HB3 . 34291 1 235 . 2 2 14 14 LYS HG2 H 1 1.749 0.000 . . . . . . B 269 LYS HG2 . 34291 1 236 . 2 2 14 14 LYS HG3 H 1 1.664 0.007 . . . . . . B 269 LYS HG3 . 34291 1 237 . 2 2 14 14 LYS HD2 H 1 1.871 0.011 . . . . . . B 269 LYS HD2 . 34291 1 238 . 2 2 14 14 LYS HD3 H 1 1.871 0.011 . . . . . . B 269 LYS HD3 . 34291 1 239 . 2 2 14 14 LYS HE2 H 1 3.135 0.003 . . . . . . B 269 LYS HE2 . 34291 1 240 . 2 2 14 14 LYS HE3 H 1 3.135 0.003 . . . . . . B 269 LYS HE3 . 34291 1 241 . 2 2 14 14 LYS CA C 13 58.900 0.000 . . . . . . B 269 LYS CA . 34291 1 242 . 2 2 14 14 LYS CB C 13 32.461 0.000 . . . . . . B 269 LYS CB . 34291 1 243 . 2 2 14 14 LYS CG C 13 25.160 0.003 . . . . . . B 269 LYS CG . 34291 1 244 . 2 2 14 14 LYS CD C 13 29.610 0.002 . . . . . . B 269 LYS CD . 34291 1 245 . 2 2 14 14 LYS CE C 13 42.295 0.000 . . . . . . B 269 LYS CE . 34291 1 246 . 2 2 14 14 LYS N N 15 119.466 0.000 . . . . . . B 269 LYS N . 34291 1 247 . 2 2 15 15 ARG H H 1 7.429 0.008 . . . . . . B 270 ARG H . 34291 1 248 . 2 2 15 15 ARG HA H 1 4.456 0.002 . . . . . . B 270 ARG HA . 34291 1 249 . 2 2 15 15 ARG HB2 H 1 2.217 0.005 . . . . . . B 270 ARG HB2 . 34291 1 250 . 2 2 15 15 ARG HB3 H 1 1.799 0.000 . . . . . . B 270 ARG HB3 . 34291 1 251 . 2 2 15 15 ARG HG2 H 1 1.974 0.000 . . . . . . B 270 ARG HG2 . 34291 1 252 . 2 2 15 15 ARG HG3 H 1 1.974 0.000 . . . . . . B 270 ARG HG3 . 34291 1 253 . 2 2 15 15 ARG HD2 H 1 3.443 0.008 . . . . . . B 270 ARG HD2 . 34291 1 254 . 2 2 15 15 ARG HD3 H 1 3.351 0.000 . . . . . . B 270 ARG HD3 . 34291 1 255 . 2 2 15 15 ARG CA C 13 54.927 0.000 . . . . . . B 270 ARG CA . 34291 1 256 . 2 2 15 15 ARG CB C 13 30.267 0.001 . . . . . . B 270 ARG CB . 34291 1 257 . 2 2 15 15 ARG CG C 13 27.388 0.000 . . . . . . B 270 ARG CG . 34291 1 258 . 2 2 15 15 ARG CD C 13 43.248 0.000 . . . . . . B 270 ARG CD . 34291 1 259 . 2 2 15 15 ARG N N 15 115.245 0.000 . . . . . . B 270 ARG N . 34291 1 260 . 2 2 16 16 ASP H H 1 7.042 0.000 . . . . . . B 271 ASP H . 34291 1 261 . 2 2 16 16 ASP HA H 1 4.836 0.007 . . . . . . B 271 ASP HA . 34291 1 262 . 2 2 16 16 ASP HB2 H 1 2.888 0.003 . . . . . . B 271 ASP HB2 . 34291 1 263 . 2 2 16 16 ASP HB3 H 1 2.922 0.005 . . . . . . B 271 ASP HB3 . 34291 1 264 . 2 2 16 16 ASP CA C 13 56.507 0.000 . . . . . . B 271 ASP CA . 34291 1 265 . 2 2 16 16 ASP CB C 13 45.105 0.003 . . . . . . B 271 ASP CB . 34291 1 266 . 2 2 16 16 ASP N N 15 121.632 0.000 . . . . . . B 271 ASP N . 34291 1 267 . 2 2 17 17 SER H H 1 8.862 0.000 . . . . . . B 272 SER H . 34291 1 268 . 2 2 17 17 SER HA H 1 4.467 0.005 . . . . . . B 272 SER HA . 34291 1 269 . 2 2 17 17 SER HB2 H 1 4.330 0.007 . . . . . . B 272 SER HB2 . 34291 1 270 . 2 2 17 17 SER HB3 H 1 4.293 0.013 . . . . . . B 272 SER HB3 . 34291 1 271 . 2 2 17 17 SER CA C 13 60.192 0.000 . . . . . . B 272 SER CA . 34291 1 272 . 2 2 17 17 SER CB C 13 64.407 0.002 . . . . . . B 272 SER CB . 34291 1 273 . 2 2 17 17 SER N N 15 118.654 0.000 . . . . . . B 272 SER N . 34291 1 274 . 2 2 18 18 GLY H H 1 9.092 0.000 . . . . . . B 273 GLY H . 34291 1 275 . 2 2 18 18 GLY HA3 H 1 3.905 0.003 . . . . . . B 273 GLY HA3 . 34291 1 276 . 2 2 18 18 GLY CA C 13 45.948 0.010 . . . . . . B 273 GLY CA . 34291 1 277 . 2 2 18 18 GLY N N 15 111.307 0.000 . . . . . . B 273 GLY N . 34291 1 278 . 2 2 19 19 LYS H H 1 7.957 0.000 . . . . . . B 274 LYS H . 34291 1 279 . 2 2 19 19 LYS HB2 H 1 1.730 0.000 . . . . . . B 274 LYS HB2 . 34291 1 280 . 2 2 19 19 LYS HB3 H 1 1.730 0.000 . . . . . . B 274 LYS HB3 . 34291 1 281 . 2 2 19 19 LYS HG2 H 1 1.555 0.000 . . . . . . B 274 LYS HG2 . 34291 1 282 . 2 2 19 19 LYS HG3 H 1 1.551 0.000 . . . . . . B 274 LYS HG3 . 34291 1 283 . 2 2 19 19 LYS HE2 H 1 3.121 0.000 . . . . . . B 274 LYS HE2 . 34291 1 284 . 2 2 19 19 LYS HE3 H 1 3.121 0.000 . . . . . . B 274 LYS HE3 . 34291 1 285 . 2 2 19 19 LYS CB C 13 33.906 0.000 . . . . . . B 274 LYS CB . 34291 1 286 . 2 2 19 19 LYS CG C 13 25.759 0.000 . . . . . . B 274 LYS CG . 34291 1 287 . 2 2 19 19 LYS CE C 13 42.266 0.000 . . . . . . B 274 LYS CE . 34291 1 288 . 2 2 19 19 LYS N N 15 121.184 0.000 . . . . . . B 274 LYS N . 34291 1 289 . 2 2 21 21 VAL H H 1 9.050 0.000 . . . . . . B 276 VAL H . 34291 1 290 . 2 2 21 21 VAL HA H 1 3.781 0.000 . . . . . . B 276 VAL HA . 34291 1 291 . 2 2 21 21 VAL HB H 1 2.236 0.003 . . . . . . B 276 VAL HB . 34291 1 292 . 2 2 21 21 VAL HG11 H 1 1.229 0.016 . . . . . . B 276 VAL HG11 . 34291 1 293 . 2 2 21 21 VAL HG12 H 1 1.229 0.016 . . . . . . B 276 VAL HG12 . 34291 1 294 . 2 2 21 21 VAL HG13 H 1 1.229 0.016 . . . . . . B 276 VAL HG13 . 34291 1 295 . 2 2 21 21 VAL HG21 H 1 1.107 0.003 . . . . . . B 276 VAL HG21 . 34291 1 296 . 2 2 21 21 VAL HG22 H 1 1.107 0.003 . . . . . . B 276 VAL HG22 . 34291 1 297 . 2 2 21 21 VAL HG23 H 1 1.107 0.003 . . . . . . B 276 VAL HG23 . 34291 1 298 . 2 2 21 21 VAL CA C 13 67.610 0.000 . . . . . . B 276 VAL CA . 34291 1 299 . 2 2 21 21 VAL CB C 13 31.651 0.000 . . . . . . B 276 VAL CB . 34291 1 300 . 2 2 21 21 VAL CG1 C 13 22.707 0.000 . . . . . . B 276 VAL CG1 . 34291 1 301 . 2 2 21 21 VAL CG2 C 13 21.444 0.000 . . . . . . B 276 VAL CG2 . 34291 1 302 . 2 2 21 21 VAL N N 15 122.195 0.000 . . . . . . B 276 VAL N . 34291 1 303 . 2 2 22 22 GLU H H 1 9.472 0.000 . . . . . . B 277 GLU H . 34291 1 304 . 2 2 22 22 GLU HA H 1 4.177 0.001 . . . . . . B 277 GLU HA . 34291 1 305 . 2 2 22 22 GLU HB2 H 1 2.203 0.001 . . . . . . B 277 GLU HB2 . 34291 1 306 . 2 2 22 22 GLU HB3 H 1 2.203 0.001 . . . . . . B 277 GLU HB3 . 34291 1 307 . 2 2 22 22 GLU HG2 H 1 2.515 0.010 . . . . . . B 277 GLU HG2 . 34291 1 308 . 2 2 22 22 GLU HG3 H 1 2.515 0.010 . . . . . . B 277 GLU HG3 . 34291 1 309 . 2 2 22 22 GLU CA C 13 60.295 0.000 . . . . . . B 277 GLU CA . 34291 1 310 . 2 2 22 22 GLU CB C 13 28.992 0.000 . . . . . . B 277 GLU CB . 34291 1 311 . 2 2 22 22 GLU CG C 13 36.397 0.000 . . . . . . B 277 GLU CG . 34291 1 312 . 2 2 22 22 GLU N N 15 117.631 0.000 . . . . . . B 277 GLU N . 34291 1 313 . 2 2 23 23 LYS H H 1 7.224 0.000 . . . . . . B 278 LYS H . 34291 1 314 . 2 2 23 23 LYS HA H 1 4.462 0.002 . . . . . . B 278 LYS HA . 34291 1 315 . 2 2 23 23 LYS HB2 H 1 2.142 0.001 . . . . . . B 278 LYS HB2 . 34291 1 316 . 2 2 23 23 LYS HB3 H 1 2.088 0.000 . . . . . . B 278 LYS HB3 . 34291 1 317 . 2 2 23 23 LYS HG2 H 1 1.718 0.005 . . . . . . B 278 LYS HG2 . 34291 1 318 . 2 2 23 23 LYS HG3 H 1 1.688 0.007 . . . . . . B 278 LYS HG3 . 34291 1 319 . 2 2 23 23 LYS HD2 H 1 1.70 0.000 . . . . . . B 278 LYS HD2 . 34291 1 320 . 2 2 23 23 LYS HD3 H 1 2.197 0.003 . . . . . . B 278 LYS HD3 . 34291 1 321 . 2 2 23 23 LYS HE2 H 1 3.164 0.000 . . . . . . B 278 LYS HE2 . 34291 1 322 . 2 2 23 23 LYS HE3 H 1 3.164 0.000 . . . . . . B 278 LYS HE3 . 34291 1 323 . 2 2 23 23 LYS CB C 13 32.171 0.000 . . . . . . B 278 LYS CB . 34291 1 324 . 2 2 23 23 LYS CG C 13 24.541 0.000 . . . . . . B 278 LYS CG . 34291 1 325 . 2 2 23 23 LYS CD C 13 27.859 0.000 . . . . . . B 278 LYS CD . 34291 1 326 . 2 2 23 23 LYS N N 15 118.865 0.000 . . . . . . B 278 LYS N . 34291 1 327 . 2 2 24 24 ILE H H 1 8.161 0.000 . . . . . . B 279 ILE H . 34291 1 328 . 2 2 24 24 ILE HA H 1 3.789 0.000 . . . . . . B 279 ILE HA . 34291 1 329 . 2 2 24 24 ILE HB H 1 2.160 0.003 . . . . . . B 279 ILE HB . 34291 1 330 . 2 2 24 24 ILE HG12 H 1 1.687 0.003 . . . . . . B 279 ILE HG12 . 34291 1 331 . 2 2 24 24 ILE HG13 H 1 1.103 0.000 . . . . . . B 279 ILE HG13 . 34291 1 332 . 2 2 24 24 ILE HG21 H 1 1.012 0.000 . . . . . . B 279 ILE HG21 . 34291 1 333 . 2 2 24 24 ILE HG22 H 1 1.012 0.000 . . . . . . B 279 ILE HG22 . 34291 1 334 . 2 2 24 24 ILE HG23 H 1 1.012 0.000 . . . . . . B 279 ILE HG23 . 34291 1 335 . 2 2 24 24 ILE HD11 H 1 1.064 0.001 . . . . . . B 279 ILE HD11 . 34291 1 336 . 2 2 24 24 ILE HD12 H 1 1.064 0.001 . . . . . . B 279 ILE HD12 . 34291 1 337 . 2 2 24 24 ILE HD13 H 1 1.064 0.001 . . . . . . B 279 ILE HD13 . 34291 1 338 . 2 2 24 24 ILE CB C 13 38.237 0.000 . . . . . . B 279 ILE CB . 34291 1 339 . 2 2 24 24 ILE CG1 C 13 28.537 0.000 . . . . . . B 279 ILE CG1 . 34291 1 340 . 2 2 24 24 ILE CG2 C 13 18.304 0.000 . . . . . . B 279 ILE CG2 . 34291 1 341 . 2 2 24 24 ILE CD1 C 13 14.703 0.000 . . . . . . B 279 ILE CD1 . 34291 1 342 . 2 2 24 24 ILE N N 15 122.019 0.000 . . . . . . B 279 ILE N . 34291 1 343 . 2 2 25 25 LYS H H 1 8.275 0.000 . . . . . . B 280 LYS H . 34291 1 344 . 2 2 25 25 LYS HA H 1 3.822 0.001 . . . . . . B 280 LYS HA . 34291 1 345 . 2 2 25 25 LYS HB2 H 1 1.986 0.002 . . . . . . B 280 LYS HB2 . 34291 1 346 . 2 2 25 25 LYS HB3 H 1 1.944 0.000 . . . . . . B 280 LYS HB3 . 34291 1 347 . 2 2 25 25 LYS HG2 H 1 1.793 0.000 . . . . . . B 280 LYS HG2 . 34291 1 348 . 2 2 25 25 LYS HG3 H 1 1.346 0.005 . . . . . . B 280 LYS HG3 . 34291 1 349 . 2 2 25 25 LYS HE2 H 1 3.120 0.007 . . . . . . B 280 LYS HE2 . 34291 1 350 . 2 2 25 25 LYS HE3 H 1 3.120 0.007 . . . . . . B 280 LYS HE3 . 34291 1 351 . 2 2 25 25 LYS CA C 13 61.103 0.000 . . . . . . B 280 LYS CA . 34291 1 352 . 2 2 25 25 LYS CB C 13 32.529 0.000 . . . . . . B 280 LYS CB . 34291 1 353 . 2 2 25 25 LYS CG C 13 26.636 0.000 . . . . . . B 280 LYS CG . 34291 1 354 . 2 2 25 25 LYS CE C 13 42.269 0.000 . . . . . . B 280 LYS CE . 34291 1 355 . 2 2 25 25 LYS N N 15 116.686 0.000 . . . . . . B 280 LYS N . 34291 1 356 . 2 2 26 26 GLU H H 1 7.454 0.000 . . . . . . B 281 GLU H . 34291 1 357 . 2 2 26 26 GLU HA H 1 4.137 0.000 . . . . . . B 281 GLU HA . 34291 1 358 . 2 2 26 26 GLU HB2 H 1 2.331 0.002 . . . . . . B 281 GLU HB2 . 34291 1 359 . 2 2 26 26 GLU HB3 H 1 2.331 0.002 . . . . . . B 281 GLU HB3 . 34291 1 360 . 2 2 26 26 GLU HG2 H 1 2.538 0.002 . . . . . . B 281 GLU HG2 . 34291 1 361 . 2 2 26 26 GLU HG3 H 1 2.328 0.004 . . . . . . B 281 GLU HG3 . 34291 1 362 . 2 2 26 26 GLU CA C 13 59.819 0.000 . . . . . . B 281 GLU CA . 34291 1 363 . 2 2 26 26 GLU CB C 13 30.033 0.006 . . . . . . B 281 GLU CB . 34291 1 364 . 2 2 26 26 GLU CG C 13 36.257 0.000 . . . . . . B 281 GLU CG . 34291 1 365 . 2 2 26 26 GLU N N 15 118.231 0.000 . . . . . . B 281 GLU N . 34291 1 366 . 2 2 27 27 GLU H H 1 8.447 0.000 . . . . . . B 282 GLU H . 34291 1 367 . 2 2 27 27 GLU HA H 1 4.093 0.001 . . . . . . B 282 GLU HA . 34291 1 368 . 2 2 27 27 GLU HB2 H 1 2.359 0.004 . . . . . . B 282 GLU HB2 . 34291 1 369 . 2 2 27 27 GLU HB3 H 1 2.215 0.000 . . . . . . B 282 GLU HB3 . 34291 1 370 . 2 2 27 27 GLU HG2 H 1 2.667 0.001 . . . . . . B 282 GLU HG2 . 34291 1 371 . 2 2 27 27 GLU HG3 H 1 2.387 0.005 . . . . . . B 282 GLU HG3 . 34291 1 372 . 2 2 27 27 GLU CA C 13 59.769 0.000 . . . . . . B 282 GLU CA . 34291 1 373 . 2 2 27 27 GLU CB C 13 29.999 0.000 . . . . . . B 282 GLU CB . 34291 1 374 . 2 2 27 27 GLU CG C 13 36.858 0.000 . . . . . . B 282 GLU CG . 34291 1 375 . 2 2 27 27 GLU N N 15 119.519 0.000 . . . . . . B 282 GLU N . 34291 1 376 . 2 2 28 28 ILE H H 1 8.477 0.000 . . . . . . B 283 ILE H . 34291 1 377 . 2 2 28 28 ILE HA H 1 3.926 0.000 . . . . . . B 283 ILE HA . 34291 1 378 . 2 2 28 28 ILE HB H 1 2.056 0.005 . . . . . . B 283 ILE HB . 34291 1 379 . 2 2 28 28 ILE HG12 H 1 1.317 0.000 . . . . . . B 283 ILE HG12 . 34291 1 380 . 2 2 28 28 ILE HG13 H 1 2.013 0.000 . . . . . . B 283 ILE HG13 . 34291 1 381 . 2 2 28 28 ILE HG21 H 1 0.893 0.004 . . . . . . B 283 ILE HG21 . 34291 1 382 . 2 2 28 28 ILE HG22 H 1 0.893 0.004 . . . . . . B 283 ILE HG22 . 34291 1 383 . 2 2 28 28 ILE HG23 H 1 0.893 0.004 . . . . . . B 283 ILE HG23 . 34291 1 384 . 2 2 28 28 ILE HD11 H 1 0.916 0.003 . . . . . . B 283 ILE HD11 . 34291 1 385 . 2 2 28 28 ILE HD12 H 1 0.916 0.003 . . . . . . B 283 ILE HD12 . 34291 1 386 . 2 2 28 28 ILE HD13 H 1 0.916 0.003 . . . . . . B 283 ILE HD13 . 34291 1 387 . 2 2 28 28 ILE CB C 13 38.640 0.000 . . . . . . B 283 ILE CB . 34291 1 388 . 2 2 28 28 ILE CG1 C 13 28.846 0.000 . . . . . . B 283 ILE CG1 . 34291 1 389 . 2 2 28 28 ILE CG2 C 13 17.187 0.057 . . . . . . B 283 ILE CG2 . 34291 1 390 . 2 2 28 28 ILE CD1 C 13 14.094 0.061 . . . . . . B 283 ILE CD1 . 34291 1 391 . 2 2 28 28 ILE N N 15 117.018 0.000 . . . . . . B 283 ILE N . 34291 1 392 . 2 2 29 29 CYS H H 1 8.514 0.000 . . . . . . B 284 CYS H . 34291 1 393 . 2 2 29 29 CYS HA H 1 4.456 0.010 . . . . . . B 284 CYS HA . 34291 1 394 . 2 2 29 29 CYS HB2 H 1 3.331 0.000 . . . . . . B 284 CYS HB2 . 34291 1 395 . 2 2 29 29 CYS HB3 H 1 3.331 0.000 . . . . . . B 284 CYS HB3 . 34291 1 396 . 2 2 29 29 CYS CA C 13 58.456 0.000 . . . . . . B 284 CYS CA . 34291 1 397 . 2 2 29 29 CYS CB C 13 40.998 0.000 . . . . . . B 284 CYS CB . 34291 1 398 . 2 2 29 29 CYS N N 15 113.983 0.000 . . . . . . B 284 CYS N . 34291 1 399 . 2 2 30 30 THR H H 1 7.803 0.000 . . . . . . B 285 THR H . 34291 1 400 . 2 2 30 30 THR HA H 1 4.095 0.000 . . . . . . B 285 THR HA . 34291 1 401 . 2 2 30 30 THR HB H 1 4.675 0.000 . . . . . . B 285 THR HB . 34291 1 402 . 2 2 30 30 THR HG21 H 1 1.536 0.003 . . . . . . B 285 THR HG21 . 34291 1 403 . 2 2 30 30 THR HG22 H 1 1.536 0.003 . . . . . . B 285 THR HG22 . 34291 1 404 . 2 2 30 30 THR HG23 H 1 1.536 0.003 . . . . . . B 285 THR HG23 . 34291 1 405 . 2 2 30 30 THR CG2 C 13 21.665 0.001 . . . . . . B 285 THR CG2 . 34291 1 406 . 2 2 30 30 THR N N 15 109.950 0.000 . . . . . . B 285 THR N . 34291 1 407 . 2 2 31 31 LYS H H 1 7.185 0.000 . . . . . . B 286 LYS H . 34291 1 408 . 2 2 31 31 LYS HA H 1 4.876 0.002 . . . . . . B 286 LYS HA . 34291 1 409 . 2 2 31 31 LYS HB2 H 1 2.192 0.003 . . . . . . B 286 LYS HB2 . 34291 1 410 . 2 2 31 31 LYS HB3 H 1 1.950 0.004 . . . . . . B 286 LYS HB3 . 34291 1 411 . 2 2 31 31 LYS HG2 H 1 1.762 0.000 . . . . . . B 286 LYS HG2 . 34291 1 412 . 2 2 31 31 LYS HG3 H 1 1.598 0.000 . . . . . . B 286 LYS HG3 . 34291 1 413 . 2 2 31 31 LYS HD2 H 1 1.883 0.004 . . . . . . B 286 LYS HD2 . 34291 1 414 . 2 2 31 31 LYS HD3 H 1 1.883 0.004 . . . . . . B 286 LYS HD3 . 34291 1 415 . 2 2 31 31 LYS HE2 H 1 3.201 0.000 . . . . . . B 286 LYS HE2 . 34291 1 416 . 2 2 31 31 LYS HE3 H 1 3.201 0.000 . . . . . . B 286 LYS HE3 . 34291 1 417 . 2 2 31 31 LYS CA C 13 55.388 0.000 . . . . . . B 286 LYS CA . 34291 1 418 . 2 2 31 31 LYS CB C 13 31.760 0.003 . . . . . . B 286 LYS CB . 34291 1 419 . 2 2 31 31 LYS CG C 13 24.995 0.000 . . . . . . B 286 LYS CG . 34291 1 420 . 2 2 31 31 LYS CD C 13 29.145 0.000 . . . . . . B 286 LYS CD . 34291 1 421 . 2 2 31 31 LYS N N 15 122.391 0.000 . . . . . . B 286 LYS N . 34291 1 422 . 2 2 37 37 ILE H H 1 8.642 0.000 . . . . . . B 292 ILE H . 34291 1 423 . 2 2 37 37 ILE HA H 1 3.598 0.000 . . . . . . B 292 ILE HA . 34291 1 424 . 2 2 37 37 ILE HB H 1 1.837 0.000 . . . . . . B 292 ILE HB . 34291 1 425 . 2 2 37 37 ILE HG12 H 1 1.353 0.000 . . . . . . B 292 ILE HG12 . 34291 1 426 . 2 2 37 37 ILE HG13 H 1 0.345 0.000 . . . . . . B 292 ILE HG13 . 34291 1 427 . 2 2 37 37 ILE HG21 H 1 0.564 0.000 . . . . . . B 292 ILE HG21 . 34291 1 428 . 2 2 37 37 ILE HG22 H 1 0.564 0.000 . . . . . . B 292 ILE HG22 . 34291 1 429 . 2 2 37 37 ILE HG23 H 1 0.564 0.000 . . . . . . B 292 ILE HG23 . 34291 1 430 . 2 2 37 37 ILE HD11 H 1 0.698 0.000 . . . . . . B 292 ILE HD11 . 34291 1 431 . 2 2 37 37 ILE HD12 H 1 0.698 0.000 . . . . . . B 292 ILE HD12 . 34291 1 432 . 2 2 37 37 ILE HD13 H 1 0.698 0.000 . . . . . . B 292 ILE HD13 . 34291 1 433 . 2 2 37 37 ILE CB C 13 35.092 0.000 . . . . . . B 292 ILE CB . 34291 1 434 . 2 2 37 37 ILE CG1 C 13 26.713 0.000 . . . . . . B 292 ILE CG1 . 34291 1 435 . 2 2 37 37 ILE CG2 C 13 17.567 0.000 . . . . . . B 292 ILE CG2 . 34291 1 436 . 2 2 37 37 ILE CD1 C 13 9.880 0.000 . . . . . . B 292 ILE CD1 . 34291 1 437 . 2 2 37 37 ILE N N 15 120.843 0.000 . . . . . . B 292 ILE N . 34291 1 438 . 2 2 39 39 GLU H H 1 8.562 0.000 . . . . . . B 294 GLU H . 34291 1 439 . 2 2 39 39 GLU HA H 1 4.106 0.000 . . . . . . B 294 GLU HA . 34291 1 440 . 2 2 39 39 GLU HB2 H 1 2.317 0.000 . . . . . . B 294 GLU HB2 . 34291 1 441 . 2 2 39 39 GLU HB3 H 1 1.893 0.000 . . . . . . B 294 GLU HB3 . 34291 1 442 . 2 2 39 39 GLU HG2 H 1 2.559 0.000 . . . . . . B 294 GLU HG2 . 34291 1 443 . 2 2 39 39 GLU HG3 H 1 2.386 0.000 . . . . . . B 294 GLU HG3 . 34291 1 444 . 2 2 39 39 GLU CB C 13 29.790 0.000 . . . . . . B 294 GLU CB . 34291 1 445 . 2 2 39 39 GLU CG C 13 36.928 0.000 . . . . . . B 294 GLU CG . 34291 1 446 . 2 2 39 39 GLU N N 15 116.428 0.000 . . . . . . B 294 GLU N . 34291 1 447 . 2 2 40 40 ILE H H 1 8.171 0.000 . . . . . . B 295 ILE H . 34291 1 448 . 2 2 40 40 ILE HA H 1 4.214 0.000 . . . . . . B 295 ILE HA . 34291 1 449 . 2 2 40 40 ILE HB H 1 2.120 0.000 . . . . . . B 295 ILE HB . 34291 1 450 . 2 2 40 40 ILE HG12 H 1 2.061 0.000 . . . . . . B 295 ILE HG12 . 34291 1 451 . 2 2 40 40 ILE HG13 H 1 1.437 0.000 . . . . . . B 295 ILE HG13 . 34291 1 452 . 2 2 40 40 ILE HG21 H 1 1.044 0.000 . . . . . . B 295 ILE HG21 . 34291 1 453 . 2 2 40 40 ILE HG22 H 1 1.044 0.000 . . . . . . B 295 ILE HG22 . 34291 1 454 . 2 2 40 40 ILE HG23 H 1 1.044 0.000 . . . . . . B 295 ILE HG23 . 34291 1 455 . 2 2 40 40 ILE HD11 H 1 0.675 0.000 . . . . . . B 295 ILE HD11 . 34291 1 456 . 2 2 40 40 ILE HD12 H 1 0.675 0.000 . . . . . . B 295 ILE HD12 . 34291 1 457 . 2 2 40 40 ILE HD13 H 1 0.675 0.000 . . . . . . B 295 ILE HD13 . 34291 1 458 . 2 2 40 40 ILE CB C 13 37.443 0.000 . . . . . . B 295 ILE CB . 34291 1 459 . 2 2 40 40 ILE CG1 C 13 28.070 0.000 . . . . . . B 295 ILE CG1 . 34291 1 460 . 2 2 40 40 ILE CG2 C 13 17.985 0.000 . . . . . . B 295 ILE CG2 . 34291 1 461 . 2 2 40 40 ILE CD1 C 13 11.004 0.000 . . . . . . B 295 ILE CD1 . 34291 1 462 . 2 2 40 40 ILE N N 15 115.783 0.000 . . . . . . B 295 ILE N . 34291 1 463 . 2 2 41 41 ILE H H 1 8.686 0.000 . . . . . . B 296 ILE H . 34291 1 464 . 2 2 41 41 ILE HA H 1 4.273 0.000 . . . . . . B 296 ILE HA . 34291 1 465 . 2 2 41 41 ILE HB H 1 2.353 0.000 . . . . . . B 296 ILE HB . 34291 1 466 . 2 2 41 41 ILE HG12 H 1 1.657 0.000 . . . . . . B 296 ILE HG12 . 34291 1 467 . 2 2 41 41 ILE HG13 H 1 1.687 0.000 . . . . . . B 296 ILE HG13 . 34291 1 468 . 2 2 41 41 ILE HG21 H 1 1.009 0.000 . . . . . . B 296 ILE HG21 . 34291 1 469 . 2 2 41 41 ILE HG22 H 1 1.009 0.000 . . . . . . B 296 ILE HG22 . 34291 1 470 . 2 2 41 41 ILE HG23 H 1 1.009 0.000 . . . . . . B 296 ILE HG23 . 34291 1 471 . 2 2 41 41 ILE HD11 H 1 1.055 0.000 . . . . . . B 296 ILE HD11 . 34291 1 472 . 2 2 41 41 ILE HD12 H 1 1.055 0.000 . . . . . . B 296 ILE HD12 . 34291 1 473 . 2 2 41 41 ILE HD13 H 1 1.055 0.000 . . . . . . B 296 ILE HD13 . 34291 1 474 . 2 2 41 41 ILE CA C 13 62.977 0.000 . . . . . . B 296 ILE CA . 34291 1 475 . 2 2 41 41 ILE CB C 13 36.435 0.000 . . . . . . B 296 ILE CB . 34291 1 476 . 2 2 41 41 ILE CG1 C 13 28.720 0.000 . . . . . . B 296 ILE CG1 . 34291 1 477 . 2 2 41 41 ILE CG2 C 13 17.504 0.000 . . . . . . B 296 ILE CG2 . 34291 1 478 . 2 2 41 41 ILE CD1 C 13 12.267 0.000 . . . . . . B 296 ILE CD1 . 34291 1 479 . 2 2 41 41 ILE N N 15 116.094 0.000 . . . . . . B 296 ILE N . 34291 1 480 . 2 2 42 42 CYS H H 1 8.623 0.000 . . . . . . B 297 CYS H . 34291 1 481 . 2 2 42 42 CYS HA H 1 4.833 0.000 . . . . . . B 297 CYS HA . 34291 1 482 . 2 2 42 42 CYS HB2 H 1 3.877 0.000 . . . . . . B 297 CYS HB2 . 34291 1 483 . 2 2 42 42 CYS HB3 H 1 3.525 0.000 . . . . . . B 297 CYS HB3 . 34291 1 484 . 2 2 42 42 CYS CB C 13 39.071 0.000 . . . . . . B 297 CYS CB . 34291 1 485 . 2 2 42 42 CYS N N 15 116.188 0.000 . . . . . . B 297 CYS N . 34291 1 486 . 2 2 43 43 GLU H H 1 7.658 0.000 . . . . . . B 298 GLU H . 34291 1 487 . 2 2 43 43 GLU HA H 1 4.681 0.000 . . . . . . B 298 GLU HA . 34291 1 488 . 2 2 43 43 GLU HB2 H 1 2.415 0.000 . . . . . . B 298 GLU HB2 . 34291 1 489 . 2 2 43 43 GLU HB3 H 1 2.560 0.000 . . . . . . B 298 GLU HB3 . 34291 1 490 . 2 2 43 43 GLU HG2 H 1 2.369 0.000 . . . . . . B 298 GLU HG2 . 34291 1 491 . 2 2 43 43 GLU HG3 H 1 2.254 0.000 . . . . . . B 298 GLU HG3 . 34291 1 492 . 2 2 43 43 GLU CB C 13 29.726 0.000 . . . . . . B 298 GLU CB . 34291 1 493 . 2 2 43 43 GLU CG C 13 36.116 0.000 . . . . . . B 298 GLU CG . 34291 1 494 . 2 2 43 43 GLU N N 15 116.015 0.000 . . . . . . B 298 GLU N . 34291 1 495 . 2 2 44 44 ASN H H 1 7.151 0.001 . . . . . . B 299 ASN H . 34291 1 496 . 2 2 44 44 ASN HA H 1 4.741 0.003 . . . . . . B 299 ASN HA . 34291 1 497 . 2 2 44 44 ASN HB2 H 1 3.267 0.000 . . . . . . B 299 ASN HB2 . 34291 1 498 . 2 2 44 44 ASN HB3 H 1 2.876 0.000 . . . . . . B 299 ASN HB3 . 34291 1 499 . 2 2 44 44 ASN CB C 13 37.676 0.002 . . . . . . B 299 ASN CB . 34291 1 500 . 2 2 44 44 ASN N N 15 113.400 0.000 . . . . . . B 299 ASN N . 34291 1 501 . 2 2 45 45 LYS H H 1 8.232 0.003 . . . . . . B 300 LYS H . 34291 1 502 . 2 2 45 45 LYS HA H 1 4.204 0.003 . . . . . . B 300 LYS HA . 34291 1 503 . 2 2 45 45 LYS HB2 H 1 2.168 0.012 . . . . . . B 300 LYS HB2 . 34291 1 504 . 2 2 45 45 LYS HB3 H 1 1.591 0.000 . . . . . . B 300 LYS HB3 . 34291 1 505 . 2 2 45 45 LYS HG2 H 1 1.644 0.000 . . . . . . B 300 LYS HG2 . 34291 1 506 . 2 2 45 45 LYS HG3 H 1 1.537 0.000 . . . . . . B 300 LYS HG3 . 34291 1 507 . 2 2 45 45 LYS HD2 H 1 1.701 0.000 . . . . . . B 300 LYS HD2 . 34291 1 508 . 2 2 45 45 LYS HD3 H 1 1.701 0.000 . . . . . . B 300 LYS HD3 . 34291 1 509 . 2 2 45 45 LYS HE2 H 1 3.275 0.000 . . . . . . B 300 LYS HE2 . 34291 1 510 . 2 2 45 45 LYS HE3 H 1 3.118 0.000 . . . . . . B 300 LYS HE3 . 34291 1 511 . 2 2 45 45 LYS CB C 13 33.672 0.000 . . . . . . B 300 LYS CB . 34291 1 512 . 2 2 45 45 LYS CG C 13 26.437 0.000 . . . . . . B 300 LYS CG . 34291 1 513 . 2 2 45 45 LYS CD C 13 29.288 0.000 . . . . . . B 300 LYS CD . 34291 1 514 . 2 2 45 45 LYS CE C 13 43.164 0.000 . . . . . . B 300 LYS CE . 34291 1 515 . 2 2 45 45 LYS N N 15 117.633 0.000 . . . . . . B 300 LYS N . 34291 1 516 . 2 2 46 46 THR H H 1 8.612 0.001 . . . . . . B 301 THR H . 34291 1 517 . 2 2 46 46 THR HA H 1 4.500 0.002 . . . . . . B 301 THR HA . 34291 1 518 . 2 2 46 46 THR HB H 1 5.146 0.000 . . . . . . B 301 THR HB . 34291 1 519 . 2 2 46 46 THR HG21 H 1 1.358 0.003 . . . . . . B 301 THR HG21 . 34291 1 520 . 2 2 46 46 THR HG22 H 1 1.358 0.003 . . . . . . B 301 THR HG22 . 34291 1 521 . 2 2 46 46 THR HG23 H 1 1.358 0.003 . . . . . . B 301 THR HG23 . 34291 1 522 . 2 2 46 46 THR CA C 13 59.900 0.000 . . . . . . B 301 THR CA . 34291 1 523 . 2 2 46 46 THR CB C 13 70.381 0.000 . . . . . . B 301 THR CB . 34291 1 524 . 2 2 46 46 THR CG2 C 13 22.277 0.000 . . . . . . B 301 THR CG2 . 34291 1 525 . 2 2 46 46 THR N N 15 108.325 0.000 . . . . . . B 301 THR N . 34291 1 526 . 2 2 47 47 TYR H H 1 10.090 0.001 . . . . . . B 302 TYR H . 34291 1 527 . 2 2 47 47 TYR HA H 1 4.686 0.006 . . . . . . B 302 TYR HA . 34291 1 528 . 2 2 47 47 TYR HB2 H 1 3.064 0.000 . . . . . . B 302 TYR HB2 . 34291 1 529 . 2 2 47 47 TYR HB3 H 1 3.432 0.001 . . . . . . B 302 TYR HB3 . 34291 1 530 . 2 2 47 47 TYR HD1 H 1 6.919 0.000 . . . . . . B 302 TYR HD1 . 34291 1 531 . 2 2 47 47 TYR HD2 H 1 7.296 0.001 . . . . . . B 302 TYR HD2 . 34291 1 532 . 2 2 47 47 TYR HE2 H 1 6.945 0.000 . . . . . . B 302 TYR HE2 . 34291 1 533 . 2 2 47 47 TYR CB C 13 35.439 0.006 . . . . . . B 302 TYR CB . 34291 1 534 . 2 2 47 47 TYR CD2 C 13 133.227 0.000 . . . . . . B 302 TYR CD2 . 34291 1 535 . 2 2 47 47 TYR CE2 C 13 118.298 0.000 . . . . . . B 302 TYR CE2 . 34291 1 536 . 2 2 47 47 TYR N N 15 122.493 0.000 . . . . . . B 302 TYR N . 34291 1 537 . 2 2 48 48 ALA H H 1 9.256 0.000 . . . . . . B 303 ALA H . 34291 1 538 . 2 2 48 48 ALA HA H 1 4.351 0.001 . . . . . . B 303 ALA HA . 34291 1 539 . 2 2 48 48 ALA HB1 H 1 1.618 0.001 . . . . . . B 303 ALA HB1 . 34291 1 540 . 2 2 48 48 ALA HB2 H 1 1.618 0.001 . . . . . . B 303 ALA HB2 . 34291 1 541 . 2 2 48 48 ALA HB3 H 1 1.618 0.001 . . . . . . B 303 ALA HB3 . 34291 1 542 . 2 2 48 48 ALA CA C 13 54.922 0.000 . . . . . . B 303 ALA CA . 34291 1 543 . 2 2 48 48 ALA CB C 13 18.367 0.000 . . . . . . B 303 ALA CB . 34291 1 544 . 2 2 48 48 ALA N N 15 122.338 0.000 . . . . . . B 303 ALA N . 34291 1 545 . 2 2 49 49 ASP H H 1 7.949 0.003 . . . . . . B 304 ASP H . 34291 1 546 . 2 2 49 49 ASP HA H 1 4.507 0.003 . . . . . . B 304 ASP HA . 34291 1 547 . 2 2 49 49 ASP HB2 H 1 3.286 0.000 . . . . . . B 304 ASP HB2 . 34291 1 548 . 2 2 49 49 ASP HB3 H 1 2.813 0.007 . . . . . . B 304 ASP HB3 . 34291 1 549 . 2 2 49 49 ASP CA C 13 57.447 0.000 . . . . . . B 304 ASP CA . 34291 1 550 . 2 2 49 49 ASP CB C 13 41.918 0.009 . . . . . . B 304 ASP CB . 34291 1 551 . 2 2 49 49 ASP N N 15 117.650 0.000 . . . . . . B 304 ASP N . 34291 1 552 . 2 2 50 50 VAL H H 1 7.556 0.002 . . . . . . B 305 VAL H . 34291 1 553 . 2 2 50 50 VAL HA H 1 4.489 0.003 . . . . . . B 305 VAL HA . 34291 1 554 . 2 2 50 50 VAL HB H 1 2.541 0.003 . . . . . . B 305 VAL HB . 34291 1 555 . 2 2 50 50 VAL HG11 H 1 1.215 0.001 . . . . . . B 305 VAL HG11 . 34291 1 556 . 2 2 50 50 VAL HG12 H 1 1.215 0.001 . . . . . . B 305 VAL HG12 . 34291 1 557 . 2 2 50 50 VAL HG13 H 1 1.215 0.001 . . . . . . B 305 VAL HG13 . 34291 1 558 . 2 2 50 50 VAL HG21 H 1 1.050 0.000 . . . . . . B 305 VAL HG21 . 34291 1 559 . 2 2 50 50 VAL HG22 H 1 1.050 0.000 . . . . . . B 305 VAL HG22 . 34291 1 560 . 2 2 50 50 VAL HG23 H 1 1.050 0.000 . . . . . . B 305 VAL HG23 . 34291 1 561 . 2 2 50 50 VAL CA C 13 61.016 0.000 . . . . . . B 305 VAL CA . 34291 1 562 . 2 2 50 50 VAL CB C 13 31.673 0.000 . . . . . . B 305 VAL CB . 34291 1 563 . 2 2 50 50 VAL CG1 C 13 22.054 0.000 . . . . . . B 305 VAL CG1 . 34291 1 564 . 2 2 50 50 VAL CG2 C 13 20.654 0.000 . . . . . . B 305 VAL CG2 . 34291 1 565 . 2 2 50 50 VAL N N 15 111.488 0.000 . . . . . . B 305 VAL N . 34291 1 566 . 2 2 51 51 ASN H H 1 8.167 0.001 . . . . . . B 306 ASN H . 34291 1 567 . 2 2 51 51 ASN HA H 1 4.462 0.001 . . . . . . B 306 ASN HA . 34291 1 568 . 2 2 51 51 ASN HB2 H 1 3.407 0.000 . . . . . . B 306 ASN HB2 . 34291 1 569 . 2 2 51 51 ASN HB3 H 1 2.837 0.003 . . . . . . B 306 ASN HB3 . 34291 1 570 . 2 2 51 51 ASN CA C 13 54.271 0.000 . . . . . . B 306 ASN CA . 34291 1 571 . 2 2 51 51 ASN CB C 13 37.216 0.001 . . . . . . B 306 ASN CB . 34291 1 572 . 2 2 51 51 ASN N N 15 118.145 0.000 . . . . . . B 306 ASN N . 34291 1 573 . 2 2 52 52 ILE H H 1 7.778 0.000 . . . . . . B 307 ILE H . 34291 1 574 . 2 2 52 52 ILE HB H 1 1.686 0.001 . . . . . . B 307 ILE HB . 34291 1 575 . 2 2 52 52 ILE HG12 H 1 1.703 0.006 . . . . . . B 307 ILE HG12 . 34291 1 576 . 2 2 52 52 ILE HG13 H 1 1.493 0.000 . . . . . . B 307 ILE HG13 . 34291 1 577 . 2 2 52 52 ILE HG21 H 1 0.869 0.000 . . . . . . B 307 ILE HG21 . 34291 1 578 . 2 2 52 52 ILE HG22 H 1 0.869 0.000 . . . . . . B 307 ILE HG22 . 34291 1 579 . 2 2 52 52 ILE HG23 H 1 0.869 0.000 . . . . . . B 307 ILE HG23 . 34291 1 580 . 2 2 52 52 ILE HD11 H 1 0.841 0.002 . . . . . . B 307 ILE HD11 . 34291 1 581 . 2 2 52 52 ILE HD12 H 1 0.841 0.002 . . . . . . B 307 ILE HD12 . 34291 1 582 . 2 2 52 52 ILE HD13 H 1 0.841 0.002 . . . . . . B 307 ILE HD13 . 34291 1 583 . 2 2 52 52 ILE CB C 13 42.259 0.000 . . . . . . B 307 ILE CB . 34291 1 584 . 2 2 52 52 ILE CG1 C 13 29.005 0.000 . . . . . . B 307 ILE CG1 . 34291 1 585 . 2 2 52 52 ILE CG2 C 13 16.739 0.000 . . . . . . B 307 ILE CG2 . 34291 1 586 . 2 2 52 52 ILE CD1 C 13 14.162 0.000 . . . . . . B 307 ILE CD1 . 34291 1 587 . 2 2 52 52 ILE N N 15 118.188 0.000 . . . . . . B 307 ILE N . 34291 1 588 . 2 2 53 53 ASP H H 1 8.118 0.003 . . . . . . B 308 ASP H . 34291 1 589 . 2 2 53 53 ASP HA H 1 4.569 0.000 . . . . . . B 308 ASP HA . 34291 1 590 . 2 2 53 53 ASP HB2 H 1 2.930 0.007 . . . . . . B 308 ASP HB2 . 34291 1 591 . 2 2 53 53 ASP HB3 H 1 2.641 0.000 . . . . . . B 308 ASP HB3 . 34291 1 592 . 2 2 53 53 ASP CA C 13 55.046 0.000 . . . . . . B 308 ASP CA . 34291 1 593 . 2 2 53 53 ASP CB C 13 43.188 0.006 . . . . . . B 308 ASP CB . 34291 1 594 . 2 2 53 53 ASP N N 15 126.263 0.000 . . . . . . B 308 ASP N . 34291 1 595 . 2 2 54 54 ARG H H 1 8.526 0.001 . . . . . . B 309 ARG H . 34291 1 596 . 2 2 54 54 ARG HA H 1 4.704 0.000 . . . . . . B 309 ARG HA . 34291 1 597 . 2 2 54 54 ARG HB2 H 1 2.161 0.006 . . . . . . B 309 ARG HB2 . 34291 1 598 . 2 2 54 54 ARG HB3 H 1 2.043 0.000 . . . . . . B 309 ARG HB3 . 34291 1 599 . 2 2 54 54 ARG HD2 H 1 3.691 0.000 . . . . . . B 309 ARG HD2 . 34291 1 600 . 2 2 54 54 ARG HD3 H 1 3.574 0.000 . . . . . . B 309 ARG HD3 . 34291 1 601 . 2 2 54 54 ARG CB C 13 31.207 0.003 . . . . . . B 309 ARG CB . 34291 1 602 . 2 2 54 54 ARG CG C 13 27.200 0.000 . . . . . . B 309 ARG CG . 34291 1 603 . 2 2 54 54 ARG CD C 13 44.840 0.000 . . . . . . B 309 ARG CD . 34291 1 604 . 2 2 54 54 ARG N N 15 124.051 0.000 . . . . . . B 309 ARG N . 34291 1 605 . 2 2 55 55 SER H H 1 8.422 0.001 . . . . . . B 310 SER H . 34291 1 606 . 2 2 55 55 SER HA H 1 4.803 0.002 . . . . . . B 310 SER HA . 34291 1 607 . 2 2 55 55 SER HB2 H 1 4.132 0.000 . . . . . . B 310 SER HB2 . 34291 1 608 . 2 2 55 55 SER HB3 H 1 4.013 0.002 . . . . . . B 310 SER HB3 . 34291 1 609 . 2 2 55 55 SER CA C 13 61.506 0.000 . . . . . . B 310 SER CA . 34291 1 610 . 2 2 55 55 SER CB C 13 62.755 0.055 . . . . . . B 310 SER CB . 34291 1 611 . 2 2 55 55 SER N N 15 115.625 0.000 . . . . . . B 310 SER N . 34291 1 612 . 2 2 56 56 ARG H H 1 8.144 0.002 . . . . . . B 311 ARG H . 34291 1 613 . 2 2 56 56 ARG HA H 1 4.409 0.003 . . . . . . B 311 ARG HA . 34291 1 614 . 2 2 56 56 ARG HB2 H 1 2.097 0.002 . . . . . . B 311 ARG HB2 . 34291 1 615 . 2 2 56 56 ARG HB3 H 1 2.097 0.002 . . . . . . B 311 ARG HB3 . 34291 1 616 . 2 2 56 56 ARG HG2 H 1 2.104 0.003 . . . . . . B 311 ARG HG2 . 34291 1 617 . 2 2 56 56 ARG HG3 H 1 2.104 0.003 . . . . . . B 311 ARG HG3 . 34291 1 618 . 2 2 56 56 ARG HD2 H 1 3.466 0.004 . . . . . . B 311 ARG HD2 . 34291 1 619 . 2 2 56 56 ARG HD3 H 1 3.466 0.004 . . . . . . B 311 ARG HD3 . 34291 1 620 . 2 2 56 56 ARG CA C 13 59.798 0.000 . . . . . . B 311 ARG CA . 34291 1 621 . 2 2 56 56 ARG CB C 13 30.272 0.003 . . . . . . B 311 ARG CB . 34291 1 622 . 2 2 56 56 ARG CG C 13 29.010 0.000 . . . . . . B 311 ARG CG . 34291 1 623 . 2 2 56 56 ARG CD C 13 43.463 0.000 . . . . . . B 311 ARG CD . 34291 1 624 . 2 2 56 56 ARG N N 15 126.075 0.000 . . . . . . B 311 ARG N . 34291 1 625 . 2 2 57 57 GLY H H 1 8.800 0.005 . . . . . . B 312 GLY H . 34291 1 626 . 2 2 57 57 GLY HA2 H 1 3.560 0.000 . . . . . . B 312 GLY HA2 . 34291 1 627 . 2 2 57 57 GLY HA3 H 1 2.988 0.002 . . . . . . B 312 GLY HA3 . 34291 1 628 . 2 2 57 57 GLY CA C 13 48.373 0.029 . . . . . . B 312 GLY CA . 34291 1 629 . 2 2 57 57 GLY N N 15 108.148 0.000 . . . . . . B 312 GLY N . 34291 1 630 . 2 2 58 58 ASP H H 1 7.861 0.002 . . . . . . B 313 ASP H . 34291 1 631 . 2 2 58 58 ASP HA H 1 4.698 0.005 . . . . . . B 313 ASP HA . 34291 1 632 . 2 2 58 58 ASP HB2 H 1 3.315 0.000 . . . . . . B 313 ASP HB2 . 34291 1 633 . 2 2 58 58 ASP HB3 H 1 2.817 0.003 . . . . . . B 313 ASP HB3 . 34291 1 634 . 2 2 58 58 ASP CB C 13 40.476 0.005 . . . . . . B 313 ASP CB . 34291 1 635 . 2 2 58 58 ASP N N 15 119.731 0.000 . . . . . . B 313 ASP N . 34291 1 636 . 2 2 59 59 TRP H H 1 8.048 0.003 . . . . . . B 314 TRP H . 34291 1 637 . 2 2 59 59 TRP HA H 1 4.184 0.005 . . . . . . B 314 TRP HA . 34291 1 638 . 2 2 59 59 TRP HB2 H 1 4.037 0.000 . . . . . . B 314 TRP HB2 . 34291 1 639 . 2 2 59 59 TRP HB3 H 1 3.691 0.001 . . . . . . B 314 TRP HB3 . 34291 1 640 . 2 2 59 59 TRP HD1 H 1 6.523 0.001 . . . . . . B 314 TRP HD1 . 34291 1 641 . 2 2 59 59 TRP HE1 H 1 9.707 0.006 . . . . . . B 314 TRP HE1 . 34291 1 642 . 2 2 59 59 TRP HE3 H 1 6.774 0.008 . . . . . . B 314 TRP HE3 . 34291 1 643 . 2 2 59 59 TRP HZ2 H 1 7.130 0.000 . . . . . . B 314 TRP HZ2 . 34291 1 644 . 2 2 59 59 TRP HZ3 H 1 6.727 0.015 . . . . . . B 314 TRP HZ3 . 34291 1 645 . 2 2 59 59 TRP HH2 H 1 6.699 0.006 . . . . . . B 314 TRP HH2 . 34291 1 646 . 2 2 59 59 TRP CA C 13 60.565 0.000 . . . . . . B 314 TRP CA . 34291 1 647 . 2 2 59 59 TRP CB C 13 29.784 0.002 . . . . . . B 314 TRP CB . 34291 1 648 . 2 2 59 59 TRP CD1 C 13 125.651 0.000 . . . . . . B 314 TRP CD1 . 34291 1 649 . 2 2 59 59 TRP CE3 C 13 119.084 0.000 . . . . . . B 314 TRP CE3 . 34291 1 650 . 2 2 59 59 TRP CZ2 C 13 113.626 0.035 . . . . . . B 314 TRP CZ2 . 34291 1 651 . 2 2 59 59 TRP CZ3 C 13 120.773 0.000 . . . . . . B 314 TRP CZ3 . 34291 1 652 . 2 2 59 59 TRP CH2 C 13 123.096 0.000 . . . . . . B 314 TRP CH2 . 34291 1 653 . 2 2 59 59 TRP N N 15 118.413 0.000 . . . . . . B 314 TRP N . 34291 1 654 . 2 2 59 59 TRP NE1 N 15 128.130 0.000 . . . . . . B 314 TRP NE1 . 34291 1 655 . 2 2 60 60 HIS H H 1 8.288 0.003 . . . . . . B 315 HIS H . 34291 1 656 . 2 2 60 60 HIS HA H 1 4.190 0.001 . . . . . . B 315 HIS HA . 34291 1 657 . 2 2 60 60 HIS HB2 H 1 3.232 0.008 . . . . . . B 315 HIS HB2 . 34291 1 658 . 2 2 60 60 HIS HB3 H 1 3.232 0.008 . . . . . . B 315 HIS HB3 . 34291 1 659 . 2 2 60 60 HIS HD2 H 1 7.619 0.000 . . . . . . B 315 HIS HD2 . 34291 1 660 . 2 2 60 60 HIS CB C 13 31.246 0.004 . . . . . . B 315 HIS CB . 34291 1 661 . 2 2 60 60 HIS CD2 C 13 119.401 0.000 . . . . . . B 315 HIS CD2 . 34291 1 662 . 2 2 60 60 HIS N N 15 113.373 0.000 . . . . . . B 315 HIS N . 34291 1 663 . 2 2 61 61 VAL H H 1 8.943 0.004 . . . . . . B 316 VAL H . 34291 1 664 . 2 2 61 61 VAL HA H 1 3.784 0.000 . . . . . . B 316 VAL HA . 34291 1 665 . 2 2 61 61 VAL HB H 1 2.465 0.000 . . . . . . B 316 VAL HB . 34291 1 666 . 2 2 61 61 VAL HG11 H 1 1.069 0.003 . . . . . . B 316 VAL HG11 . 34291 1 667 . 2 2 61 61 VAL HG12 H 1 1.069 0.003 . . . . . . B 316 VAL HG12 . 34291 1 668 . 2 2 61 61 VAL HG13 H 1 1.069 0.003 . . . . . . B 316 VAL HG13 . 34291 1 669 . 2 2 61 61 VAL CA C 13 67.159 0.000 . . . . . . B 316 VAL CA . 34291 1 670 . 2 2 61 61 VAL CB C 13 31.679 0.000 . . . . . . B 316 VAL CB . 34291 1 671 . 2 2 61 61 VAL CG1 C 13 26.712 0.000 . . . . . . B 316 VAL CG1 . 34291 1 672 . 2 2 61 61 VAL CG2 C 13 23.680 0.000 . . . . . . B 316 VAL CG2 . 34291 1 673 . 2 2 61 61 VAL N N 15 120.208 0.000 . . . . . . B 316 VAL N . 34291 1 674 . 2 2 62 62 ILE H H 1 9.027 0.003 . . . . . . B 317 ILE H . 34291 1 675 . 2 2 62 62 ILE HA H 1 3.620 0.000 . . . . . . B 317 ILE HA . 34291 1 676 . 2 2 62 62 ILE HB H 1 1.930 0.010 . . . . . . B 317 ILE HB . 34291 1 677 . 2 2 62 62 ILE HG21 H 1 0.910 0.004 . . . . . . B 317 ILE HG21 . 34291 1 678 . 2 2 62 62 ILE HG22 H 1 0.910 0.004 . . . . . . B 317 ILE HG22 . 34291 1 679 . 2 2 62 62 ILE HG23 H 1 0.910 0.004 . . . . . . B 317 ILE HG23 . 34291 1 680 . 2 2 62 62 ILE HD11 H 1 1.028 0.001 . . . . . . B 317 ILE HD11 . 34291 1 681 . 2 2 62 62 ILE HD12 H 1 1.028 0.001 . . . . . . B 317 ILE HD12 . 34291 1 682 . 2 2 62 62 ILE HD13 H 1 1.028 0.001 . . . . . . B 317 ILE HD13 . 34291 1 683 . 2 2 62 62 ILE CA C 13 67.311 0.000 . . . . . . B 317 ILE CA . 34291 1 684 . 2 2 62 62 ILE CB C 13 37.545 0.000 . . . . . . B 317 ILE CB . 34291 1 685 . 2 2 62 62 ILE CG2 C 13 17.779 0.121 . . . . . . B 317 ILE CG2 . 34291 1 686 . 2 2 62 62 ILE CD1 C 13 14.264 0.000 . . . . . . B 317 ILE CD1 . 34291 1 687 . 2 2 62 62 ILE N N 15 119.378 0.000 . . . . . . B 317 ILE N . 34291 1 688 . 2 2 63 63 LEU H H 1 8.224 0.002 . . . . . . B 318 LEU H . 34291 1 689 . 2 2 63 63 LEU HA H 1 3.714 0.000 . . . . . . B 318 LEU HA . 34291 1 690 . 2 2 63 63 LEU HB2 H 1 1.520 0.004 . . . . . . B 318 LEU HB2 . 34291 1 691 . 2 2 63 63 LEU HB3 H 1 1.223 0.000 . . . . . . B 318 LEU HB3 . 34291 1 692 . 2 2 63 63 LEU HG H 1 1.065 0.001 . . . . . . B 318 LEU HG . 34291 1 693 . 2 2 63 63 LEU HD11 H 1 0.181 0.004 . . . . . . B 318 LEU HD11 . 34291 1 694 . 2 2 63 63 LEU HD12 H 1 0.181 0.004 . . . . . . B 318 LEU HD12 . 34291 1 695 . 2 2 63 63 LEU HD13 H 1 0.181 0.004 . . . . . . B 318 LEU HD13 . 34291 1 696 . 2 2 63 63 LEU CA C 13 59.113 0.000 . . . . . . B 318 LEU CA . 34291 1 697 . 2 2 63 63 LEU CB C 13 41.932 0.006 . . . . . . B 318 LEU CB . 34291 1 698 . 2 2 63 63 LEU CG C 13 27.173 0.000 . . . . . . B 318 LEU CG . 34291 1 699 . 2 2 63 63 LEU CD1 C 13 24.410 0.000 . . . . . . B 318 LEU CD1 . 34291 1 700 . 2 2 63 63 LEU CD2 C 13 24.100 0.000 . . . . . . B 318 LEU CD2 . 34291 1 701 . 2 2 63 63 LEU N N 15 119.022 0.000 . . . . . . B 318 LEU N . 34291 1 702 . 2 2 64 64 TYR H H 1 7.696 0.001 . . . . . . B 319 TYR H . 34291 1 703 . 2 2 64 64 TYR HA H 1 4.076 0.009 . . . . . . B 319 TYR HA . 34291 1 704 . 2 2 64 64 TYR HB2 H 1 3.407 0.000 . . . . . . B 319 TYR HB2 . 34291 1 705 . 2 2 64 64 TYR HB3 H 1 3.350 0.002 . . . . . . B 319 TYR HB3 . 34291 1 706 . 2 2 64 64 TYR HD1 H 1 7.123 0.005 . . . . . . B 319 TYR HD1 . 34291 1 707 . 2 2 64 64 TYR HD2 H 1 7.123 0.005 . . . . . . B 319 TYR HD2 . 34291 1 708 . 2 2 64 64 TYR HE1 H 1 6.704 0.001 . . . . . . B 319 TYR HE1 . 34291 1 709 . 2 2 64 64 TYR HE2 H 1 6.704 0.001 . . . . . . B 319 TYR HE2 . 34291 1 710 . 2 2 64 64 TYR CA C 13 63.306 0.000 . . . . . . B 319 TYR CA . 34291 1 711 . 2 2 64 64 TYR CB C 13 39.162 0.002 . . . . . . B 319 TYR CB . 34291 1 712 . 2 2 64 64 TYR N N 15 117.276 0.000 . . . . . . B 319 TYR N . 34291 1 713 . 2 2 65 65 LEU H H 1 8.897 0.001 . . . . . . B 320 LEU H . 34291 1 714 . 2 2 65 65 LEU HA H 1 4.042 0.000 . . . . . . B 320 LEU HA . 34291 1 715 . 2 2 65 65 LEU HB2 H 1 2.299 0.000 . . . . . . B 320 LEU HB2 . 34291 1 716 . 2 2 65 65 LEU HB3 H 1 1.772 0.000 . . . . . . B 320 LEU HB3 . 34291 1 717 . 2 2 65 65 LEU HG H 1 1.033 0.000 . . . . . . B 320 LEU HG . 34291 1 718 . 2 2 65 65 LEU HD11 H 1 1.01 0.000 . . . . . . B 320 LEU HD11 . 34291 1 719 . 2 2 65 65 LEU HD12 H 1 1.01 0.000 . . . . . . B 320 LEU HD12 . 34291 1 720 . 2 2 65 65 LEU HD13 H 1 1.01 0.000 . . . . . . B 320 LEU HD13 . 34291 1 721 . 2 2 65 65 LEU HD21 H 1 2.349 0.001 . . . . . . B 320 LEU HD21 . 34291 1 722 . 2 2 65 65 LEU HD22 H 1 2.349 0.001 . . . . . . B 320 LEU HD22 . 34291 1 723 . 2 2 65 65 LEU HD23 H 1 2.349 0.001 . . . . . . B 320 LEU HD23 . 34291 1 724 . 2 2 65 65 LEU CB C 13 40.639 0.000 . . . . . . B 320 LEU CB . 34291 1 725 . 2 2 65 65 LEU CG C 13 27.940 0.000 . . . . . . B 320 LEU CG . 34291 1 726 . 2 2 65 65 LEU CD1 C 13 22.370 0.000 . . . . . . B 320 LEU CD1 . 34291 1 727 . 2 2 65 65 LEU CD2 C 13 27.07 0.000 . . . . . . B 320 LEU CD2 . 34291 1 728 . 2 2 65 65 LEU N N 15 121.026 0.000 . . . . . . B 320 LEU N . 34291 1 729 . 2 2 67 67 LYS H H 1 8.195 0.002 . . . . . . B 322 LYS H . 34291 1 730 . 2 2 67 67 LYS HA H 1 3.987 0.003 . . . . . . B 322 LYS HA . 34291 1 731 . 2 2 67 67 LYS HB2 H 1 1.834 0.027 . . . . . . B 322 LYS HB2 . 34291 1 732 . 2 2 67 67 LYS HB3 H 1 1.738 0.000 . . . . . . B 322 LYS HB3 . 34291 1 733 . 2 2 67 67 LYS HG2 H 1 1.638 0.000 . . . . . . B 322 LYS HG2 . 34291 1 734 . 2 2 67 67 LYS HG3 H 1 1.224 0.003 . . . . . . B 322 LYS HG3 . 34291 1 735 . 2 2 67 67 LYS HD2 H 1 1.580 0.000 . . . . . . B 322 LYS HD2 . 34291 1 736 . 2 2 67 67 LYS HD3 H 1 1.500 0.000 . . . . . . B 322 LYS HD3 . 34291 1 737 . 2 2 67 67 LYS CA C 13 59.202 0.000 . . . . . . B 322 LYS CA . 34291 1 738 . 2 2 67 67 LYS CB C 13 32.276 0.000 . . . . . . B 322 LYS CB . 34291 1 739 . 2 2 67 67 LYS CG C 13 26.581 0.001 . . . . . . B 322 LYS CG . 34291 1 740 . 2 2 67 67 LYS CD C 13 29.830 0.000 . . . . . . B 322 LYS CD . 34291 1 741 . 2 2 67 67 LYS N N 15 117.682 0.000 . . . . . . B 322 LYS N . 34291 1 742 . 2 2 68 68 HIS H H 1 7.740 0.002 . . . . . . B 323 HIS H . 34291 1 743 . 2 2 68 68 HIS HA H 1 4.583 0.002 . . . . . . B 323 HIS HA . 34291 1 744 . 2 2 68 68 HIS HB2 H 1 3.776 0.001 . . . . . . B 323 HIS HB2 . 34291 1 745 . 2 2 68 68 HIS HD2 H 1 7.110 0.001 . . . . . . B 323 HIS HD2 . 34291 1 746 . 2 2 68 68 HIS CB C 13 27.967 0.196 . . . . . . B 323 HIS CB . 34291 1 747 . 2 2 68 68 HIS CD2 C 13 121.098 0.000 . . . . . . B 323 HIS CD2 . 34291 1 748 . 2 2 68 68 HIS N N 15 115.805 0.000 . . . . . . B 323 HIS N . 34291 1 749 . 2 2 69 69 GLY H H 1 7.861 0.002 . . . . . . B 324 GLY H . 34291 1 750 . 2 2 69 69 GLY HA2 H 1 4.385 0.002 . . . . . . B 324 GLY HA2 . 34291 1 751 . 2 2 69 69 GLY CA C 13 46.205 0.001 . . . . . . B 324 GLY CA . 34291 1 752 . 2 2 69 69 GLY N N 15 106.864 0.000 . . . . . . B 324 GLY N . 34291 1 753 . 2 2 70 70 VAL H H 1 8.368 0.001 . . . . . . B 325 VAL H . 34291 1 754 . 2 2 70 70 VAL HA H 1 4.697 0.002 . . . . . . B 325 VAL HA . 34291 1 755 . 2 2 70 70 VAL HB H 1 2.290 0.001 . . . . . . B 325 VAL HB . 34291 1 756 . 2 2 70 70 VAL HG11 H 1 1.040 0.003 . . . . . . B 325 VAL HG11 . 34291 1 757 . 2 2 70 70 VAL HG12 H 1 1.040 0.003 . . . . . . B 325 VAL HG12 . 34291 1 758 . 2 2 70 70 VAL HG13 H 1 1.040 0.003 . . . . . . B 325 VAL HG13 . 34291 1 759 . 2 2 70 70 VAL HG21 H 1 1.000 0.000 . . . . . . B 325 VAL HG21 . 34291 1 760 . 2 2 70 70 VAL HG22 H 1 1.000 0.000 . . . . . . B 325 VAL HG22 . 34291 1 761 . 2 2 70 70 VAL HG23 H 1 1.000 0.000 . . . . . . B 325 VAL HG23 . 34291 1 762 . 2 2 70 70 VAL CB C 13 30.204 0.000 . . . . . . B 325 VAL CB . 34291 1 763 . 2 2 70 70 VAL CG1 C 13 21.305 0.000 . . . . . . B 325 VAL CG1 . 34291 1 764 . 2 2 70 70 VAL CG2 C 13 20.654 0.000 . . . . . . B 325 VAL CG2 . 34291 1 765 . 2 2 70 70 VAL N N 15 124.147 0.000 . . . . . . B 325 VAL N . 34291 1 766 . 2 2 71 71 THR H H 1 8.204 0.002 . . . . . . B 326 THR H . 34291 1 767 . 2 2 71 71 THR HA H 1 4.650 0.002 . . . . . . B 326 THR HA . 34291 1 768 . 2 2 71 71 THR HG21 H 1 0.988 0.000 . . . . . . B 326 THR HG21 . 34291 1 769 . 2 2 71 71 THR HG22 H 1 0.988 0.000 . . . . . . B 326 THR HG22 . 34291 1 770 . 2 2 71 71 THR HG23 H 1 0.988 0.000 . . . . . . B 326 THR HG23 . 34291 1 771 . 2 2 71 71 THR CG2 C 13 22.085 0.000 . . . . . . B 326 THR CG2 . 34291 1 772 . 2 2 71 71 THR N N 15 110.779 0.000 . . . . . . B 326 THR N . 34291 1 773 . 2 2 72 72 ASP H H 1 7.760 0.000 . . . . . . B 327 ASP H . 34291 1 774 . 2 2 72 72 ASP N N 15 121.083 0.000 . . . . . . B 327 ASP N . 34291 1 775 . 2 2 74 74 ASP H H 1 8.364 0.001 . . . . . . B 329 ASP H . 34291 1 776 . 2 2 74 74 ASP HA H 1 4.676 0.000 . . . . . . B 329 ASP HA . 34291 1 777 . 2 2 74 74 ASP HB2 H 1 2.867 0.020 . . . . . . B 329 ASP HB2 . 34291 1 778 . 2 2 74 74 ASP HB3 H 1 2.867 0.020 . . . . . . B 329 ASP HB3 . 34291 1 779 . 2 2 74 74 ASP CB C 13 40.630 0.002 . . . . . . B 329 ASP CB . 34291 1 780 . 2 2 74 74 ASP N N 15 115.800 0.000 . . . . . . B 329 ASP N . 34291 1 781 . 2 2 75 75 LYS H H 1 7.543 0.002 . . . . . . B 330 LYS H . 34291 1 782 . 2 2 75 75 LYS HA H 1 4.146 0.003 . . . . . . B 330 LYS HA . 34291 1 783 . 2 2 75 75 LYS HB2 H 1 2.036 0.013 . . . . . . B 330 LYS HB2 . 34291 1 784 . 2 2 75 75 LYS HB3 H 1 1.933 0.001 . . . . . . B 330 LYS HB3 . 34291 1 785 . 2 2 75 75 LYS HG2 H 1 1.636 0.000 . . . . . . B 330 LYS HG2 . 34291 1 786 . 2 2 75 75 LYS HG3 H 1 1.497 0.003 . . . . . . B 330 LYS HG3 . 34291 1 787 . 2 2 75 75 LYS HE2 H 1 3.150 0.007 . . . . . . B 330 LYS HE2 . 34291 1 788 . 2 2 75 75 LYS HE3 H 1 3.121 0.010 . . . . . . B 330 LYS HE3 . 34291 1 789 . 2 2 75 75 LYS CA C 13 59.905 0.000 . . . . . . B 330 LYS CA . 34291 1 790 . 2 2 75 75 LYS CB C 13 33.334 0.000 . . . . . . B 330 LYS CB . 34291 1 791 . 2 2 75 75 LYS CG C 13 26.557 0.012 . . . . . . B 330 LYS CG . 34291 1 792 . 2 2 75 75 LYS CE C 13 42.206 0.005 . . . . . . B 330 LYS CE . 34291 1 793 . 2 2 75 75 LYS N N 15 120.705 0.000 . . . . . . B 330 LYS N . 34291 1 794 . 2 2 76 76 ILE H H 1 7.877 0.001 . . . . . . B 331 ILE H . 34291 1 795 . 2 2 76 76 ILE HA H 1 3.525 0.003 . . . . . . B 331 ILE HA . 34291 1 796 . 2 2 76 76 ILE HB H 1 2.070 0.013 . . . . . . B 331 ILE HB . 34291 1 797 . 2 2 76 76 ILE HG13 H 1 1.776 0.001 . . . . . . B 331 ILE HG13 . 34291 1 798 . 2 2 76 76 ILE HG21 H 1 1.125 0.002 . . . . . . B 331 ILE HG21 . 34291 1 799 . 2 2 76 76 ILE HG22 H 1 1.125 0.002 . . . . . . B 331 ILE HG22 . 34291 1 800 . 2 2 76 76 ILE HG23 H 1 1.125 0.002 . . . . . . B 331 ILE HG23 . 34291 1 801 . 2 2 76 76 ILE HD11 H 1 0.910 0.002 . . . . . . B 331 ILE HD11 . 34291 1 802 . 2 2 76 76 ILE HD12 H 1 0.910 0.002 . . . . . . B 331 ILE HD12 . 34291 1 803 . 2 2 76 76 ILE HD13 H 1 0.910 0.002 . . . . . . B 331 ILE HD13 . 34291 1 804 . 2 2 76 76 ILE CA C 13 66.479 0.000 . . . . . . B 331 ILE CA . 34291 1 805 . 2 2 76 76 ILE CB C 13 38.300 0.000 . . . . . . B 331 ILE CB . 34291 1 806 . 2 2 76 76 ILE CG1 C 13 29.974 0.000 . . . . . . B 331 ILE CG1 . 34291 1 807 . 2 2 76 76 ILE CG2 C 13 18.087 0.020 . . . . . . B 331 ILE CG2 . 34291 1 808 . 2 2 76 76 ILE CD1 C 13 13.518 0.205 . . . . . . B 331 ILE CD1 . 34291 1 809 . 2 2 76 76 ILE N N 15 116.957 0.000 . . . . . . B 331 ILE N . 34291 1 810 . 2 2 77 77 LEU H H 1 8.167 0.001 . . . . . . B 332 LEU H . 34291 1 811 . 2 2 77 77 LEU HA H 1 3.920 0.002 . . . . . . B 332 LEU HA . 34291 1 812 . 2 2 77 77 LEU HB2 H 1 1.869 0.009 . . . . . . B 332 LEU HB2 . 34291 1 813 . 2 2 77 77 LEU HB3 H 1 1.773 0.007 . . . . . . B 332 LEU HB3 . 34291 1 814 . 2 2 77 77 LEU HG H 1 1.727 0.004 . . . . . . B 332 LEU HG . 34291 1 815 . 2 2 77 77 LEU HD11 H 1 0.615 0.002 . . . . . . B 332 LEU HD11 . 34291 1 816 . 2 2 77 77 LEU HD12 H 1 0.615 0.002 . . . . . . B 332 LEU HD12 . 34291 1 817 . 2 2 77 77 LEU HD13 H 1 0.615 0.002 . . . . . . B 332 LEU HD13 . 34291 1 818 . 2 2 77 77 LEU CA C 13 58.463 0.000 . . . . . . B 332 LEU CA . 34291 1 819 . 2 2 77 77 LEU CB C 13 42.164 0.002 . . . . . . B 332 LEU CB . 34291 1 820 . 2 2 77 77 LEU CG C 13 26.924 0.000 . . . . . . B 332 LEU CG . 34291 1 821 . 2 2 77 77 LEU CD1 C 13 24.476 0.012 . . . . . . B 332 LEU CD1 . 34291 1 822 . 2 2 77 77 LEU N N 15 116.290 0.000 . . . . . . B 332 LEU N . 34291 1 823 . 2 2 78 78 GLU H H 1 7.309 0.002 . . . . . . B 333 GLU H . 34291 1 824 . 2 2 78 78 GLU HA H 1 4.132 0.001 . . . . . . B 333 GLU HA . 34291 1 825 . 2 2 78 78 GLU HB2 H 1 2.220 0.000 . . . . . . B 333 GLU HB2 . 34291 1 826 . 2 2 78 78 GLU HG2 H 1 2.557 0.017 . . . . . . B 333 GLU HG2 . 34291 1 827 . 2 2 78 78 GLU HG3 H 1 2.418 0.003 . . . . . . B 333 GLU HG3 . 34291 1 828 . 2 2 78 78 GLU CA C 13 58.511 0.000 . . . . . . B 333 GLU CA . 34291 1 829 . 2 2 78 78 GLU CB C 13 29.828 0.000 . . . . . . B 333 GLU CB . 34291 1 830 . 2 2 78 78 GLU CG C 13 36.246 0.001 . . . . . . B 333 GLU CG . 34291 1 831 . 2 2 78 78 GLU N N 15 116.113 0.000 . . . . . . B 333 GLU N . 34291 1 832 . 2 2 79 79 LEU H H 1 7.531 0.001 . . . . . . B 334 LEU H . 34291 1 833 . 2 2 79 79 LEU HA H 1 4.314 0.002 . . . . . . B 334 LEU HA . 34291 1 834 . 2 2 79 79 LEU HB2 H 1 2.004 0.001 . . . . . . B 334 LEU HB2 . 34291 1 835 . 2 2 79 79 LEU HB3 H 1 1.602 0.001 . . . . . . B 334 LEU HB3 . 34291 1 836 . 2 2 79 79 LEU HG H 1 1.891 0.006 . . . . . . B 334 LEU HG . 34291 1 837 . 2 2 79 79 LEU HD11 H 1 1.041 0.001 . . . . . . B 334 LEU HD11 . 34291 1 838 . 2 2 79 79 LEU HD12 H 1 1.041 0.001 . . . . . . B 334 LEU HD12 . 34291 1 839 . 2 2 79 79 LEU HD13 H 1 1.041 0.001 . . . . . . B 334 LEU HD13 . 34291 1 840 . 2 2 79 79 LEU CA C 13 55.900 0.000 . . . . . . B 334 LEU CA . 34291 1 841 . 2 2 79 79 LEU CB C 13 43.259 0.002 . . . . . . B 334 LEU CB . 34291 1 842 . 2 2 79 79 LEU CG C 13 27.503 0.000 . . . . . . B 334 LEU CG . 34291 1 843 . 2 2 79 79 LEU CD1 C 13 24.198 0.000 . . . . . . B 334 LEU CD1 . 34291 1 844 . 2 2 79 79 LEU N N 15 118.206 0.000 . . . . . . B 334 LEU N . 34291 1 845 . 2 2 80 80 LEU H H 1 7.314 0.001 . . . . . . B 335 LEU H . 34291 1 846 . 2 2 80 80 LEU N N 15 119.120 0.000 . . . . . . B 335 LEU N . 34291 1 847 . 2 2 82 82 ARG H H 1 8.618 0.001 . . . . . . B 337 ARG H . 34291 1 848 . 2 2 82 82 ARG HA H 1 4.117 0.000 . . . . . . B 337 ARG HA . 34291 1 849 . 2 2 82 82 ARG HB2 H 1 1.988 0.000 . . . . . . B 337 ARG HB2 . 34291 1 850 . 2 2 82 82 ARG HB3 H 1 1.786 0.042 . . . . . . B 337 ARG HB3 . 34291 1 851 . 2 2 82 82 ARG HD2 H 1 3.351 0.001 . . . . . . B 337 ARG HD2 . 34291 1 852 . 2 2 82 82 ARG CA C 13 58.293 0.000 . . . . . . B 337 ARG CA . 34291 1 853 . 2 2 82 82 ARG CB C 13 29.912 0.004 . . . . . . B 337 ARG CB . 34291 1 854 . 2 2 82 82 ARG CD C 13 43.458 0.000 . . . . . . B 337 ARG CD . 34291 1 855 . 2 2 82 82 ARG N N 15 115.329 0.000 . . . . . . B 337 ARG N . 34291 1 856 . 2 2 83 83 ASP H H 1 8.268 0.002 . . . . . . B 338 ASP H . 34291 1 857 . 2 2 83 83 ASP HA H 1 4.849 0.000 . . . . . . B 338 ASP HA . 34291 1 858 . 2 2 83 83 ASP HB2 H 1 3.337 0.003 . . . . . . B 338 ASP HB2 . 34291 1 859 . 2 2 83 83 ASP HB3 H 1 2.629 0.000 . . . . . . B 338 ASP HB3 . 34291 1 860 . 2 2 83 83 ASP CA C 13 52.427 0.000 . . . . . . B 338 ASP CA . 34291 1 861 . 2 2 83 83 ASP CB C 13 39.153 0.002 . . . . . . B 338 ASP CB . 34291 1 862 . 2 2 83 83 ASP N N 15 113.853 0.000 . . . . . . B 338 ASP N . 34291 1 863 . 2 2 84 84 SER H H 1 7.588 0.005 . . . . . . B 339 SER H . 34291 1 864 . 2 2 84 84 SER HA H 1 4.826 0.000 . . . . . . B 339 SER HA . 34291 1 865 . 2 2 84 84 SER HB2 H 1 3.757 0.000 . . . . . . B 339 SER HB2 . 34291 1 866 . 2 2 84 84 SER HB3 H 1 3.757 0.000 . . . . . . B 339 SER HB3 . 34291 1 867 . 2 2 84 84 SER N N 15 111.872 0.000 . . . . . . B 339 SER N . 34291 1 868 . 2 2 85 85 LYS H H 1 8.843 0.002 . . . . . . B 340 LYS H . 34291 1 869 . 2 2 85 85 LYS HA H 1 4.173 0.003 . . . . . . B 340 LYS HA . 34291 1 870 . 2 2 85 85 LYS HG2 H 1 1.368 0.000 . . . . . . B 340 LYS HG2 . 34291 1 871 . 2 2 85 85 LYS HG3 H 1 0.984 0.000 . . . . . . B 340 LYS HG3 . 34291 1 872 . 2 2 85 85 LYS HD2 H 1 1.556 0.000 . . . . . . B 340 LYS HD2 . 34291 1 873 . 2 2 85 85 LYS HD3 H 1 1.272 0.000 . . . . . . B 340 LYS HD3 . 34291 1 874 . 2 2 85 85 LYS HE2 H 1 2.788 0.000 . . . . . . B 340 LYS HE2 . 34291 1 875 . 2 2 85 85 LYS HE3 H 1 2.735 0.000 . . . . . . B 340 LYS HE3 . 34291 1 876 . 2 2 85 85 LYS CA C 13 59.376 0.000 . . . . . . B 340 LYS CA . 34291 1 877 . 2 2 85 85 LYS CG C 13 25.673 0.000 . . . . . . B 340 LYS CG . 34291 1 878 . 2 2 85 85 LYS CD C 13 29.661 0.000 . . . . . . B 340 LYS CD . 34291 1 879 . 2 2 85 85 LYS CE C 13 41.812 0.000 . . . . . . B 340 LYS CE . 34291 1 880 . 2 2 85 85 LYS N N 15 132.113 0.000 . . . . . . B 340 LYS N . 34291 1 881 . 2 2 86 86 ALA H H 1 8.671 0.004 . . . . . . B 341 ALA H . 34291 1 882 . 2 2 86 86 ALA HA H 1 4.442 0.002 . . . . . . B 341 ALA HA . 34291 1 883 . 2 2 86 86 ALA HB1 H 1 1.336 0.000 . . . . . . B 341 ALA HB1 . 34291 1 884 . 2 2 86 86 ALA HB2 H 1 1.336 0.000 . . . . . . B 341 ALA HB2 . 34291 1 885 . 2 2 86 86 ALA HB3 H 1 1.336 0.000 . . . . . . B 341 ALA HB3 . 34291 1 886 . 2 2 86 86 ALA CA C 13 53.584 0.000 . . . . . . B 341 ALA CA . 34291 1 887 . 2 2 86 86 ALA CB C 13 19.446 0.000 . . . . . . B 341 ALA CB . 34291 1 888 . 2 2 86 86 ALA N N 15 118.808 0.000 . . . . . . B 341 ALA N . 34291 1 889 . 2 2 87 87 LYS H H 1 7.327 0.001 . . . . . . B 342 LYS H . 34291 1 890 . 2 2 87 87 LYS HA H 1 4.533 0.004 . . . . . . B 342 LYS HA . 34291 1 891 . 2 2 87 87 LYS HB2 H 1 2.203 0.003 . . . . . . B 342 LYS HB2 . 34291 1 892 . 2 2 87 87 LYS HB3 H 1 1.685 0.000 . . . . . . B 342 LYS HB3 . 34291 1 893 . 2 2 87 87 LYS HG2 H 1 1.316 0.000 . . . . . . B 342 LYS HG2 . 34291 1 894 . 2 2 87 87 LYS HG3 H 1 1.316 0.000 . . . . . . B 342 LYS HG3 . 34291 1 895 . 2 2 87 87 LYS HD2 H 1 1.856 0.000 . . . . . . B 342 LYS HD2 . 34291 1 896 . 2 2 87 87 LYS HD3 H 1 1.761 0.000 . . . . . . B 342 LYS HD3 . 34291 1 897 . 2 2 87 87 LYS HE2 H 1 2.984 0.002 . . . . . . B 342 LYS HE2 . 34291 1 898 . 2 2 87 87 LYS HE3 H 1 2.961 0.002 . . . . . . B 342 LYS HE3 . 34291 1 899 . 2 2 87 87 LYS CA C 13 55.805 0.000 . . . . . . B 342 LYS CA . 34291 1 900 . 2 2 87 87 LYS CB C 13 33.022 0.005 . . . . . . B 342 LYS CB . 34291 1 901 . 2 2 87 87 LYS CG C 13 26.397 0.000 . . . . . . B 342 LYS CG . 34291 1 902 . 2 2 87 87 LYS CD C 13 29.067 0.000 . . . . . . B 342 LYS CD . 34291 1 903 . 2 2 87 87 LYS CE C 13 43.125 0.001 . . . . . . B 342 LYS CE . 34291 1 904 . 2 2 87 87 LYS N N 15 113.357 0.000 . . . . . . B 342 LYS N . 34291 1 905 . 2 2 88 88 GLU H H 1 7.198 0.001 . . . . . . B 343 GLU H . 34291 1 906 . 2 2 88 88 GLU HA H 1 4.420 0.003 . . . . . . B 343 GLU HA . 34291 1 907 . 2 2 88 88 GLU HB2 H 1 2.217 0.000 . . . . . . B 343 GLU HB2 . 34291 1 908 . 2 2 88 88 GLU HB3 H 1 2.176 0.000 . . . . . . B 343 GLU HB3 . 34291 1 909 . 2 2 88 88 GLU HG2 H 1 2.417 0.003 . . . . . . B 343 GLU HG2 . 34291 1 910 . 2 2 88 88 GLU HG3 H 1 2.417 0.003 . . . . . . B 343 GLU HG3 . 34291 1 911 . 2 2 88 88 GLU CA C 13 57.534 0.000 . . . . . . B 343 GLU CA . 34291 1 912 . 2 2 88 88 GLU CB C 13 30.259 0.000 . . . . . . B 343 GLU CB . 34291 1 913 . 2 2 88 88 GLU CG C 13 36.491 0.000 . . . . . . B 343 GLU CG . 34291 1 914 . 2 2 88 88 GLU N N 15 119.921 0.000 . . . . . . B 343 GLU N . 34291 1 915 . 2 2 89 89 ASN H H 1 8.210 0.004 . . . . . . B 344 ASN H . 34291 1 916 . 2 2 89 89 ASN HA H 1 4.785 0.004 . . . . . . B 344 ASN HA . 34291 1 917 . 2 2 89 89 ASN HB2 H 1 3.127 0.004 . . . . . . B 344 ASN HB2 . 34291 1 918 . 2 2 89 89 ASN HB3 H 1 2.988 0.000 . . . . . . B 344 ASN HB3 . 34291 1 919 . 2 2 89 89 ASN CA C 13 53.754 0.000 . . . . . . B 344 ASN CA . 34291 1 920 . 2 2 89 89 ASN CB C 13 39.239 0.002 . . . . . . B 344 ASN CB . 34291 1 921 . 2 2 89 89 ASN N N 15 116.987 0.000 . . . . . . B 344 ASN N . 34291 1 922 . 2 2 91 91 LYS H H 1 8.279 0.001 . . . . . . B 346 LYS H . 34291 1 923 . 2 2 91 91 LYS HA H 1 4.421 0.000 . . . . . . B 346 LYS HA . 34291 1 924 . 2 2 91 91 LYS HB2 H 1 1.927 0.005 . . . . . . B 346 LYS HB2 . 34291 1 925 . 2 2 91 91 LYS HB3 H 1 1.927 0.005 . . . . . . B 346 LYS HB3 . 34291 1 926 . 2 2 91 91 LYS HG2 H 1 1.489 0.007 . . . . . . B 346 LYS HG2 . 34291 1 927 . 2 2 91 91 LYS HG3 H 1 1.440 0.000 . . . . . . B 346 LYS HG3 . 34291 1 928 . 2 2 91 91 LYS CB C 13 32.954 0.000 . . . . . . B 346 LYS CB . 34291 1 929 . 2 2 91 91 LYS CG C 13 25.093 0.001 . . . . . . B 346 LYS CG . 34291 1 930 . 2 2 91 91 LYS N N 15 120.715 0.000 . . . . . . B 346 LYS N . 34291 1 931 . 2 2 92 92 TRP HD1 H 1 7.489 0.001 . . . . . . B 347 TRP HD1 . 34291 1 932 . 2 2 92 92 TRP HE1 H 1 10.334 0.000 . . . . . . B 347 TRP HE1 . 34291 1 933 . 2 2 92 92 TRP HE3 H 1 7.800 0.001 . . . . . . B 347 TRP HE3 . 34291 1 934 . 2 2 92 92 TRP HZ2 H 1 7.670 0.000 . . . . . . B 347 TRP HZ2 . 34291 1 935 . 2 2 92 92 TRP HZ3 H 1 7.294 0.002 . . . . . . B 347 TRP HZ3 . 34291 1 936 . 2 2 92 92 TRP HH2 H 1 7.367 0.004 . . . . . . B 347 TRP HH2 . 34291 1 937 . 2 2 92 92 TRP CD1 C 13 127.465 0.000 . . . . . . B 347 TRP CD1 . 34291 1 938 . 2 2 92 92 TRP CE3 C 13 121.126 0.000 . . . . . . B 347 TRP CE3 . 34291 1 939 . 2 2 92 92 TRP CZ2 C 13 114.826 0.000 . . . . . . B 347 TRP CZ2 . 34291 1 940 . 2 2 92 92 TRP CZ3 C 13 122.119 0.000 . . . . . . B 347 TRP CZ3 . 34291 1 941 . 2 2 92 92 TRP CH2 C 13 124.690 0.000 . . . . . . B 347 TRP CH2 . 34291 1 942 . 2 2 92 92 TRP NE1 N 15 129.574 0.000 . . . . . . B 347 TRP NE1 . 34291 1 943 . 2 2 94 94 THR H H 1 7.995 0.004 . . . . . . B 349 THR H . 34291 1 944 . 2 2 94 94 THR HA H 1 4.318 0.002 . . . . . . B 349 THR HA . 34291 1 945 . 2 2 94 94 THR HB H 1 4.435 0.006 . . . . . . B 349 THR HB . 34291 1 946 . 2 2 94 94 THR HG21 H 1 1.429 0.002 . . . . . . B 349 THR HG21 . 34291 1 947 . 2 2 94 94 THR HG22 H 1 1.429 0.002 . . . . . . B 349 THR HG22 . 34291 1 948 . 2 2 94 94 THR HG23 H 1 1.429 0.002 . . . . . . B 349 THR HG23 . 34291 1 949 . 2 2 94 94 THR CA C 13 64.863 0.000 . . . . . . B 349 THR CA . 34291 1 950 . 2 2 94 94 THR CB C 13 68.929 0.000 . . . . . . B 349 THR CB . 34291 1 951 . 2 2 94 94 THR CG2 C 13 22.894 0.000 . . . . . . B 349 THR CG2 . 34291 1 952 . 2 2 94 94 THR N N 15 116.377 0.000 . . . . . . B 349 THR N . 34291 1 953 . 2 2 95 95 GLN H H 1 8.126 0.004 . . . . . . B 350 GLN H . 34291 1 954 . 2 2 95 95 GLN HA H 1 4.440 0.000 . . . . . . B 350 GLN HA . 34291 1 955 . 2 2 95 95 GLN HB2 H 1 2.369 0.000 . . . . . . B 350 GLN HB2 . 34291 1 956 . 2 2 95 95 GLN HB3 H 1 2.342 0.000 . . . . . . B 350 GLN HB3 . 34291 1 957 . 2 2 95 95 GLN HG2 H 1 2.600 0.000 . . . . . . B 350 GLN HG2 . 34291 1 958 . 2 2 95 95 GLN HG3 H 1 2.539 0.000 . . . . . . B 350 GLN HG3 . 34291 1 959 . 2 2 95 95 GLN CA C 13 58.606 0.000 . . . . . . B 350 GLN CA . 34291 1 960 . 2 2 95 95 GLN CB C 13 28.797 0.008 . . . . . . B 350 GLN CB . 34291 1 961 . 2 2 95 95 GLN CG C 13 34.295 0.007 . . . . . . B 350 GLN CG . 34291 1 962 . 2 2 95 95 GLN N N 15 121.869 0.000 . . . . . . B 350 GLN N . 34291 1 963 . 2 2 96 96 LYS H H 1 8.313 0.000 . . . . . . B 351 LYS H . 34291 1 964 . 2 2 96 96 LYS HA H 1 4.057 0.003 . . . . . . B 351 LYS HA . 34291 1 965 . 2 2 96 96 LYS HB2 H 1 1.958 0.000 . . . . . . B 351 LYS HB2 . 34291 1 966 . 2 2 96 96 LYS HB3 H 1 1.853 0.000 . . . . . . B 351 LYS HB3 . 34291 1 967 . 2 2 96 96 LYS HG2 H 1 1.567 0.000 . . . . . . B 351 LYS HG2 . 34291 1 968 . 2 2 96 96 LYS HG3 H 1 1.567 0.000 . . . . . . B 351 LYS HG3 . 34291 1 969 . 2 2 96 96 LYS HD2 H 1 1.905 0.000 . . . . . . B 351 LYS HD2 . 34291 1 970 . 2 2 96 96 LYS HD3 H 1 1.869 0.000 . . . . . . B 351 LYS HD3 . 34291 1 971 . 2 2 96 96 LYS HE2 H 1 2.333 0.000 . . . . . . B 351 LYS HE2 . 34291 1 972 . 2 2 96 96 LYS HE3 H 1 2.333 0.000 . . . . . . B 351 LYS HE3 . 34291 1 973 . 2 2 96 96 LYS CA C 13 59.411 0.000 . . . . . . B 351 LYS CA . 34291 1 974 . 2 2 96 96 LYS CB C 13 32.306 0.000 . . . . . . B 351 LYS CB . 34291 1 975 . 2 2 96 96 LYS CD C 13 29.535 0.000 . . . . . . B 351 LYS CD . 34291 1 976 . 2 2 96 96 LYS N N 15 120.225 0.000 . . . . . . B 351 LYS N . 34291 1 977 . 2 2 97 97 TYR H H 1 8.097 0.001 . . . . . . B 352 TYR H . 34291 1 978 . 2 2 97 97 TYR HA H 1 4.276 0.000 . . . . . . B 352 TYR HA . 34291 1 979 . 2 2 97 97 TYR HB2 H 1 3.317 0.000 . . . . . . B 352 TYR HB2 . 34291 1 980 . 2 2 97 97 TYR HB3 H 1 3.524 0.286 . . . . . . B 352 TYR HB3 . 34291 1 981 . 2 2 97 97 TYR HD1 H 1 7.248 0.002 . . . . . . B 352 TYR HD1 . 34291 1 982 . 2 2 97 97 TYR HD2 H 1 7.248 0.002 . . . . . . B 352 TYR HD2 . 34291 1 983 . 2 2 97 97 TYR HE1 H 1 6.984 0.002 . . . . . . B 352 TYR HE1 . 34291 1 984 . 2 2 97 97 TYR CA C 13 61.536 0.000 . . . . . . B 352 TYR CA . 34291 1 985 . 2 2 97 97 TYR CB C 13 38.057 0.006 . . . . . . B 352 TYR CB . 34291 1 986 . 2 2 97 97 TYR N N 15 118.075 0.000 . . . . . . B 352 TYR N . 34291 1 987 . 2 2 98 98 PHE H H 1 8.653 0.002 . . . . . . B 353 PHE H . 34291 1 988 . 2 2 98 98 PHE HA H 1 4.235 0.000 . . . . . . B 353 PHE HA . 34291 1 989 . 2 2 98 98 PHE HB2 H 1 3.532 0.000 . . . . . . B 353 PHE HB2 . 34291 1 990 . 2 2 98 98 PHE HB3 H 1 3.430 0.005 . . . . . . B 353 PHE HB3 . 34291 1 991 . 2 2 98 98 PHE HD2 H 1 7.325 0.011 . . . . . . B 353 PHE HD2 . 34291 1 992 . 2 2 98 98 PHE HE2 H 1 7.348 0.001 . . . . . . B 353 PHE HE2 . 34291 1 993 . 2 2 98 98 PHE HZ H 1 7.478 0.015 . . . . . . B 353 PHE HZ . 34291 1 994 . 2 2 98 98 PHE CB C 13 39.539 0.003 . . . . . . B 353 PHE CB . 34291 1 995 . 2 2 98 98 PHE CD2 C 13 131.275 0.000 . . . . . . B 353 PHE CD2 . 34291 1 996 . 2 2 98 98 PHE CE2 C 13 130.986 0.000 . . . . . . B 353 PHE CE2 . 34291 1 997 . 2 2 98 98 PHE CZ C 13 130.229 0.000 . . . . . . B 353 PHE CZ . 34291 1 998 . 2 2 98 98 PHE N N 15 122.990 0.000 . . . . . . B 353 PHE N . 34291 1 999 . 2 2 99 99 VAL H H 1 8.416 0.000 . . . . . . B 354 VAL H . 34291 1 1000 . 2 2 99 99 VAL HA H 1 4.066 0.000 . . . . . . B 354 VAL HA . 34291 1 1001 . 2 2 99 99 VAL HB H 1 2.078 0.000 . . . . . . B 354 VAL HB . 34291 1 1002 . 2 2 99 99 VAL HG11 H 1 0.884 0.000 . . . . . . B 354 VAL HG11 . 34291 1 1003 . 2 2 99 99 VAL HG12 H 1 0.884 0.000 . . . . . . B 354 VAL HG12 . 34291 1 1004 . 2 2 99 99 VAL HG13 H 1 0.884 0.000 . . . . . . B 354 VAL HG13 . 34291 1 1005 . 2 2 99 99 VAL HG21 H 1 0.884 0.000 . . . . . . B 354 VAL HG21 . 34291 1 1006 . 2 2 99 99 VAL HG22 H 1 0.884 0.000 . . . . . . B 354 VAL HG22 . 34291 1 1007 . 2 2 99 99 VAL HG23 H 1 0.884 0.000 . . . . . . B 354 VAL HG23 . 34291 1 1008 . 2 2 99 99 VAL CB C 13 31.459 0.000 . . . . . . B 354 VAL CB . 34291 1 1009 . 2 2 99 99 VAL CG1 C 13 21.430 0.000 . . . . . . B 354 VAL CG1 . 34291 1 1010 . 2 2 99 99 VAL N N 15 117.202 0.000 . . . . . . B 354 VAL N . 34291 1 1011 . 2 2 100 100 ILE H H 1 8.476 0.001 . . . . . . B 355 ILE H . 34291 1 1012 . 2 2 100 100 ILE HA H 1 3.889 0.004 . . . . . . B 355 ILE HA . 34291 1 1013 . 2 2 100 100 ILE HB H 1 2.065 0.000 . . . . . . B 355 ILE HB . 34291 1 1014 . 2 2 100 100 ILE HD11 H 1 0.970 0.000 . . . . . . B 355 ILE HD11 . 34291 1 1015 . 2 2 100 100 ILE HD12 H 1 0.970 0.000 . . . . . . B 355 ILE HD12 . 34291 1 1016 . 2 2 100 100 ILE HD13 H 1 0.970 0.000 . . . . . . B 355 ILE HD13 . 34291 1 1017 . 2 2 100 100 ILE CA C 13 65.568 0.000 . . . . . . B 355 ILE CA . 34291 1 1018 . 2 2 100 100 ILE CB C 13 37.631 0.000 . . . . . . B 355 ILE CB . 34291 1 1019 . 2 2 100 100 ILE CD1 C 13 13.561 0.000 . . . . . . B 355 ILE CD1 . 34291 1 1020 . 2 2 100 100 ILE N N 15 121.173 0.000 . . . . . . B 355 ILE N . 34291 1 1021 . 2 2 101 101 THR H H 1 7.933 0.000 . . . . . . B 356 THR H . 34291 1 1022 . 2 2 101 101 THR HB H 1 4.186 0.000 . . . . . . B 356 THR HB . 34291 1 1023 . 2 2 101 101 THR HG21 H 1 1.390 0.000 . . . . . . B 356 THR HG21 . 34291 1 1024 . 2 2 101 101 THR HG22 H 1 1.390 0.000 . . . . . . B 356 THR HG22 . 34291 1 1025 . 2 2 101 101 THR HG23 H 1 1.390 0.000 . . . . . . B 356 THR HG23 . 34291 1 1026 . 2 2 101 101 THR CG2 C 13 21.449 0.000 . . . . . . B 356 THR CG2 . 34291 1 1027 . 2 2 101 101 THR N N 15 117.196 0.000 . . . . . . B 356 THR N . 34291 1 1028 . 2 2 102 102 LEU H H 1 8.640 0.001 . . . . . . B 357 LEU H . 34291 1 1029 . 2 2 102 102 LEU HA H 1 3.883 0.004 . . . . . . B 357 LEU HA . 34291 1 1030 . 2 2 102 102 LEU HB2 H 1 1.777 0.000 . . . . . . B 357 LEU HB2 . 34291 1 1031 . 2 2 102 102 LEU HB3 H 1 1.177 0.000 . . . . . . B 357 LEU HB3 . 34291 1 1032 . 2 2 102 102 LEU HG H 1 1.334 0.004 . . . . . . B 357 LEU HG . 34291 1 1033 . 2 2 102 102 LEU HD11 H 1 0.672 0.000 . . . . . . B 357 LEU HD11 . 34291 1 1034 . 2 2 102 102 LEU HD12 H 1 0.672 0.000 . . . . . . B 357 LEU HD12 . 34291 1 1035 . 2 2 102 102 LEU HD13 H 1 0.672 0.000 . . . . . . B 357 LEU HD13 . 34291 1 1036 . 2 2 102 102 LEU CA C 13 58.484 0.000 . . . . . . B 357 LEU CA . 34291 1 1037 . 2 2 102 102 LEU CB C 13 42.981 0.006 . . . . . . B 357 LEU CB . 34291 1 1038 . 2 2 102 102 LEU CG C 13 26.429 0.000 . . . . . . B 357 LEU CG . 34291 1 1039 . 2 2 102 102 LEU CD1 C 13 23.830 0.000 . . . . . . B 357 LEU CD1 . 34291 1 1040 . 2 2 102 102 LEU CD2 C 13 25.730 0.000 . . . . . . B 357 LEU CD2 . 34291 1 1041 . 2 2 102 102 LEU N N 15 119.387 0.000 . . . . . . B 357 LEU N . 34291 1 1042 . 2 2 103 103 SER H H 1 8.389 0.001 . . . . . . B 358 SER H . 34291 1 1043 . 2 2 103 103 SER HA H 1 4.225 0.000 . . . . . . B 358 SER HA . 34291 1 1044 . 2 2 103 103 SER HB2 H 1 3.314 0.003 . . . . . . B 358 SER HB2 . 34291 1 1045 . 2 2 103 103 SER HB3 H 1 3.314 0.003 . . . . . . B 358 SER HB3 . 34291 1 1046 . 2 2 103 103 SER CA C 13 59.865 0.000 . . . . . . B 358 SER CA . 34291 1 1047 . 2 2 103 103 SER N N 15 113.087 0.000 . . . . . . B 358 SER N . 34291 1 1048 . 2 2 104 104 LYS H H 1 8.614 0.003 . . . . . . B 359 LYS H . 34291 1 1049 . 2 2 104 104 LYS HA H 1 4.297 0.003 . . . . . . B 359 LYS HA . 34291 1 1050 . 2 2 104 104 LYS HB2 H 1 2.237 0.000 . . . . . . B 359 LYS HB2 . 34291 1 1051 . 2 2 104 104 LYS HB3 H 1 2.204 0.000 . . . . . . B 359 LYS HB3 . 34291 1 1052 . 2 2 104 104 LYS HG2 H 1 1.674 0.004 . . . . . . B 359 LYS HG2 . 34291 1 1053 . 2 2 104 104 LYS HG3 H 1 1.674 0.004 . . . . . . B 359 LYS HG3 . 34291 1 1054 . 2 2 104 104 LYS HD2 H 1 2.032 0.000 . . . . . . B 359 LYS HD2 . 34291 1 1055 . 2 2 104 104 LYS HD3 H 1 2.032 0.000 . . . . . . B 359 LYS HD3 . 34291 1 1056 . 2 2 104 104 LYS HE2 H 1 3.162 0.004 . . . . . . B 359 LYS HE2 . 34291 1 1057 . 2 2 104 104 LYS HE3 H 1 3.162 0.004 . . . . . . B 359 LYS HE3 . 34291 1 1058 . 2 2 104 104 LYS CA C 13 59.871 0.000 . . . . . . B 359 LYS CA . 34291 1 1059 . 2 2 104 104 LYS CB C 13 32.554 0.003 . . . . . . B 359 LYS CB . 34291 1 1060 . 2 2 104 104 LYS CG C 13 25.655 0.000 . . . . . . B 359 LYS CG . 34291 1 1061 . 2 2 104 104 LYS N N 15 122.988 0.000 . . . . . . B 359 LYS N . 34291 1 1062 . 2 2 105 105 ALA H H 1 8.871 0.000 . . . . . . B 360 ALA H . 34291 1 1063 . 2 2 105 105 ALA HA H 1 3.770 0.002 . . . . . . B 360 ALA HA . 34291 1 1064 . 2 2 105 105 ALA HB1 H 1 1.181 0.001 . . . . . . B 360 ALA HB1 . 34291 1 1065 . 2 2 105 105 ALA HB2 H 1 1.181 0.001 . . . . . . B 360 ALA HB2 . 34291 1 1066 . 2 2 105 105 ALA HB3 H 1 1.181 0.001 . . . . . . B 360 ALA HB3 . 34291 1 1067 . 2 2 105 105 ALA CA C 13 55.596 0.000 . . . . . . B 360 ALA CA . 34291 1 1068 . 2 2 105 105 ALA CB C 13 18.084 0.000 . . . . . . B 360 ALA CB . 34291 1 1069 . 2 2 105 105 ALA N N 15 123.420 0.000 . . . . . . B 360 ALA N . 34291 1 1070 . 2 2 106 106 TRP H H 1 8.824 0.002 . . . . . . B 361 TRP H . 34291 1 1071 . 2 2 106 106 TRP HA H 1 4.914 0.002 . . . . . . B 361 TRP HA . 34291 1 1072 . 2 2 106 106 TRP HB2 H 1 3.451 0.002 . . . . . . B 361 TRP HB2 . 34291 1 1073 . 2 2 106 106 TRP HB3 H 1 3.451 0.002 . . . . . . B 361 TRP HB3 . 34291 1 1074 . 2 2 106 106 TRP HD1 H 1 7.267 0.000 . . . . . . B 361 TRP HD1 . 34291 1 1075 . 2 2 106 106 TRP HE1 H 1 10.181 0.000 . . . . . . B 361 TRP HE1 . 34291 1 1076 . 2 2 106 106 TRP HE3 H 1 7.803 0.002 . . . . . . B 361 TRP HE3 . 34291 1 1077 . 2 2 106 106 TRP HZ2 H 1 7.421 0.000 . . . . . . B 361 TRP HZ2 . 34291 1 1078 . 2 2 106 106 TRP HZ3 H 1 7.033 0.044 . . . . . . B 361 TRP HZ3 . 34291 1 1079 . 2 2 106 106 TRP HH2 H 1 7.059 0.004 . . . . . . B 361 TRP HH2 . 34291 1 1080 . 2 2 106 106 TRP CA C 13 58.871 0.000 . . . . . . B 361 TRP CA . 34291 1 1081 . 2 2 106 106 TRP CB C 13 30.573 0.000 . . . . . . B 361 TRP CB . 34291 1 1082 . 2 2 106 106 TRP CD1 C 13 126.656 0.000 . . . . . . B 361 TRP CD1 . 34291 1 1083 . 2 2 106 106 TRP CE3 C 13 122.340 0.000 . . . . . . B 361 TRP CE3 . 34291 1 1084 . 2 2 106 106 TRP CZ2 C 13 113.569 0.000 . . . . . . B 361 TRP CZ2 . 34291 1 1085 . 2 2 106 106 TRP CZ3 C 13 120.817 0.000 . . . . . . B 361 TRP CZ3 . 34291 1 1086 . 2 2 106 106 TRP CH2 C 13 123.373 0.000 . . . . . . B 361 TRP CH2 . 34291 1 1087 . 2 2 106 106 TRP N N 15 118.374 0.000 . . . . . . B 361 TRP N . 34291 1 1088 . 2 2 106 106 TRP NE1 N 15 126.928 0.000 . . . . . . B 361 TRP NE1 . 34291 1 1089 . 2 2 107 107 SER H H 1 7.805 0.002 . . . . . . B 362 SER H . 34291 1 1090 . 2 2 107 107 SER HA H 1 4.010 0.002 . . . . . . B 362 SER HA . 34291 1 1091 . 2 2 107 107 SER HB2 H 1 4.241 0.000 . . . . . . B 362 SER HB2 . 34291 1 1092 . 2 2 107 107 SER HB3 H 1 4.216 0.000 . . . . . . B 362 SER HB3 . 34291 1 1093 . 2 2 107 107 SER CA C 13 62.258 0.000 . . . . . . B 362 SER CA . 34291 1 1094 . 2 2 107 107 SER CB C 13 63.225 0.000 . . . . . . B 362 SER CB . 34291 1 1095 . 2 2 107 107 SER N N 15 112.070 0.000 . . . . . . B 362 SER N . 34291 1 1096 . 2 2 108 108 VAL H H 1 7.516 0.002 . . . . . . B 363 VAL H . 34291 1 1097 . 2 2 108 108 VAL HA H 1 3.936 0.002 . . . . . . B 363 VAL HA . 34291 1 1098 . 2 2 108 108 VAL HB H 1 2.421 0.008 . . . . . . B 363 VAL HB . 34291 1 1099 . 2 2 108 108 VAL HG11 H 1 1.335 0.000 . . . . . . B 363 VAL HG11 . 34291 1 1100 . 2 2 108 108 VAL HG12 H 1 1.335 0.000 . . . . . . B 363 VAL HG12 . 34291 1 1101 . 2 2 108 108 VAL HG13 H 1 1.335 0.000 . . . . . . B 363 VAL HG13 . 34291 1 1102 . 2 2 108 108 VAL HG21 H 1 1.079 0.000 . . . . . . B 363 VAL HG21 . 34291 1 1103 . 2 2 108 108 VAL HG22 H 1 1.079 0.000 . . . . . . B 363 VAL HG22 . 34291 1 1104 . 2 2 108 108 VAL HG23 H 1 1.079 0.000 . . . . . . B 363 VAL HG23 . 34291 1 1105 . 2 2 108 108 VAL CA C 13 65.793 0.000 . . . . . . B 363 VAL CA . 34291 1 1106 . 2 2 108 108 VAL CB C 13 32.009 0.000 . . . . . . B 363 VAL CB . 34291 1 1107 . 2 2 108 108 VAL CG1 C 13 22.030 0.000 . . . . . . B 363 VAL CG1 . 34291 1 1108 . 2 2 108 108 VAL CG2 C 13 22.640 0.000 . . . . . . B 363 VAL CG2 . 34291 1 1109 . 2 2 108 108 VAL N N 15 120.497 0.000 . . . . . . B 363 VAL N . 34291 1 1110 . 2 2 109 109 VAL H H 1 8.232 0.002 . . . . . . B 364 VAL H . 34291 1 1111 . 2 2 109 109 VAL HA H 1 3.803 0.003 . . . . . . B 364 VAL HA . 34291 1 1112 . 2 2 109 109 VAL HB H 1 2.166 0.001 . . . . . . B 364 VAL HB . 34291 1 1113 . 2 2 109 109 VAL HG11 H 1 0.991 0.015 . . . . . . B 364 VAL HG11 . 34291 1 1114 . 2 2 109 109 VAL HG12 H 1 0.991 0.015 . . . . . . B 364 VAL HG12 . 34291 1 1115 . 2 2 109 109 VAL HG13 H 1 0.991 0.015 . . . . . . B 364 VAL HG13 . 34291 1 1116 . 2 2 109 109 VAL HG21 H 1 1.110 0.003 . . . . . . B 364 VAL HG21 . 34291 1 1117 . 2 2 109 109 VAL HG22 H 1 1.110 0.003 . . . . . . B 364 VAL HG22 . 34291 1 1118 . 2 2 109 109 VAL HG23 H 1 1.110 0.003 . . . . . . B 364 VAL HG23 . 34291 1 1119 . 2 2 109 109 VAL CA C 13 65.321 0.000 . . . . . . B 364 VAL CA . 34291 1 1120 . 2 2 109 109 VAL CB C 13 31.929 0.000 . . . . . . B 364 VAL CB . 34291 1 1121 . 2 2 109 109 VAL CG1 C 13 24.010 0.000 . . . . . . B 364 VAL CG1 . 34291 1 1122 . 2 2 109 109 VAL CG2 C 13 22.290 0.000 . . . . . . B 364 VAL CG2 . 34291 1 1123 . 2 2 109 109 VAL N N 15 118.877 0.000 . . . . . . B 364 VAL N . 34291 1 1124 . 2 2 110 110 LYS H H 1 8.375 0.000 . . . . . . B 365 LYS H . 34291 1 1125 . 2 2 110 110 LYS HA H 1 3.359 0.004 . . . . . . B 365 LYS HA . 34291 1 1126 . 2 2 110 110 LYS HB2 H 1 0.960 0.007 . . . . . . B 365 LYS HB2 . 34291 1 1127 . 2 2 110 110 LYS HB3 H 1 0.855 0.000 . . . . . . B 365 LYS HB3 . 34291 1 1128 . 2 2 110 110 LYS HG2 H 1 1.038 0.008 . . . . . . B 365 LYS HG2 . 34291 1 1129 . 2 2 110 110 LYS HG3 H 1 0.840 0.000 . . . . . . B 365 LYS HG3 . 34291 1 1130 . 2 2 110 110 LYS HD2 H 1 1.364 0.000 . . . . . . B 365 LYS HD2 . 34291 1 1131 . 2 2 110 110 LYS HD3 H 1 1.364 0.000 . . . . . . B 365 LYS HD3 . 34291 1 1132 . 2 2 110 110 LYS CA C 13 59.721 0.000 . . . . . . B 365 LYS CA . 34291 1 1133 . 2 2 110 110 LYS CB C 13 30.930 0.004 . . . . . . B 365 LYS CB . 34291 1 1134 . 2 2 110 110 LYS CG C 13 24.160 0.000 . . . . . . B 365 LYS CG . 34291 1 1135 . 2 2 110 110 LYS N N 15 119.885 0.000 . . . . . . B 365 LYS N . 34291 1 1136 . 2 2 111 111 LYS H H 1 7.171 0.002 . . . . . . B 366 LYS H . 34291 1 1137 . 2 2 111 111 LYS HA H 1 4.115 0.001 . . . . . . B 366 LYS HA . 34291 1 1138 . 2 2 111 111 LYS HB2 H 1 1.820 0.000 . . . . . . B 366 LYS HB2 . 34291 1 1139 . 2 2 111 111 LYS HB3 H 1 1.760 0.003 . . . . . . B 366 LYS HB3 . 34291 1 1140 . 2 2 111 111 LYS HG2 H 1 1.338 0.003 . . . . . . B 366 LYS HG2 . 34291 1 1141 . 2 2 111 111 LYS HG3 H 1 1.338 0.003 . . . . . . B 366 LYS HG3 . 34291 1 1142 . 2 2 111 111 LYS CA C 13 58.388 0.000 . . . . . . B 366 LYS CA . 34291 1 1143 . 2 2 111 111 LYS CB C 13 31.915 0.002 . . . . . . B 366 LYS CB . 34291 1 1144 . 2 2 111 111 LYS CG C 13 24.453 0.001 . . . . . . B 366 LYS CG . 34291 1 1145 . 2 2 111 111 LYS N N 15 116.499 0.000 . . . . . . B 366 LYS N . 34291 1 1146 . 2 2 112 112 TYR H H 1 7.741 0.002 . . . . . . B 367 TYR H . 34291 1 1147 . 2 2 112 112 TYR HA H 1 4.580 0.005 . . . . . . B 367 TYR HA . 34291 1 1148 . 2 2 112 112 TYR HB2 H 1 3.076 0.004 . . . . . . B 367 TYR HB2 . 34291 1 1149 . 2 2 112 112 TYR HB3 H 1 3.378 0.000 . . . . . . B 367 TYR HB3 . 34291 1 1150 . 2 2 112 112 TYR HD2 H 1 7.158 0.001 . . . . . . B 367 TYR HD2 . 34291 1 1151 . 2 2 112 112 TYR HE2 H 1 6.730 0.000 . . . . . . B 367 TYR HE2 . 34291 1 1152 . 2 2 112 112 TYR CB C 13 38.345 0.003 . . . . . . B 367 TYR CB . 34291 1 1153 . 2 2 112 112 TYR CD2 C 13 133.356 0.000 . . . . . . B 367 TYR CD2 . 34291 1 1154 . 2 2 112 112 TYR CE2 C 13 118.038 0.000 . . . . . . B 367 TYR CE2 . 34291 1 1155 . 2 2 112 112 TYR N N 15 117.727 0.000 . . . . . . B 367 TYR N . 34291 1 1156 . 2 2 113 113 LEU H H 1 7.743 0.002 . . . . . . B 368 LEU H . 34291 1 1157 . 2 2 113 113 LEU HA H 1 4.429 0.003 . . . . . . B 368 LEU HA . 34291 1 1158 . 2 2 113 113 LEU HB2 H 1 1.827 0.000 . . . . . . B 368 LEU HB2 . 34291 1 1159 . 2 2 113 113 LEU HB3 H 1 1.766 0.014 . . . . . . B 368 LEU HB3 . 34291 1 1160 . 2 2 113 113 LEU HG H 1 1.893 0.003 . . . . . . B 368 LEU HG . 34291 1 1161 . 2 2 113 113 LEU HD11 H 1 1.075 0.007 . . . . . . B 368 LEU HD11 . 34291 1 1162 . 2 2 113 113 LEU HD12 H 1 1.075 0.007 . . . . . . B 368 LEU HD12 . 34291 1 1163 . 2 2 113 113 LEU HD13 H 1 1.075 0.007 . . . . . . B 368 LEU HD13 . 34291 1 1164 . 2 2 113 113 LEU HD21 H 1 1.045 0.007 . . . . . . B 368 LEU HD21 . 34291 1 1165 . 2 2 113 113 LEU HD22 H 1 1.045 0.007 . . . . . . B 368 LEU HD22 . 34291 1 1166 . 2 2 113 113 LEU HD23 H 1 1.045 0.007 . . . . . . B 368 LEU HD23 . 34291 1 1167 . 2 2 113 113 LEU CA C 13 55.616 0.000 . . . . . . B 368 LEU CA . 34291 1 1168 . 2 2 113 113 LEU CB C 13 42.878 0.070 . . . . . . B 368 LEU CB . 34291 1 1169 . 2 2 113 113 LEU CG C 13 26.899 0.000 . . . . . . B 368 LEU CG . 34291 1 1170 . 2 2 113 113 LEU CD1 C 13 25.950 0.000 . . . . . . B 368 LEU CD1 . 34291 1 1171 . 2 2 113 113 LEU CD2 C 13 22.900 0.000 . . . . . . B 368 LEU CD2 . 34291 1 1172 . 2 2 113 113 LEU N N 15 119.230 0.000 . . . . . . B 368 LEU N . 34291 1 1173 . 2 2 114 114 GLU H H 1 7.931 0.001 . . . . . . B 369 GLU H . 34291 1 1174 . 2 2 114 114 GLU HA H 1 4.420 0.001 . . . . . . B 369 GLU HA . 34291 1 1175 . 2 2 114 114 GLU HB2 H 1 2.231 0.002 . . . . . . B 369 GLU HB2 . 34291 1 1176 . 2 2 114 114 GLU HB3 H 1 2.085 0.000 . . . . . . B 369 GLU HB3 . 34291 1 1177 . 2 2 114 114 GLU CA C 13 56.603 0.000 . . . . . . B 369 GLU CA . 34291 1 1178 . 2 2 114 114 GLU CB C 13 30.214 0.000 . . . . . . B 369 GLU CB . 34291 1 1179 . 2 2 114 114 GLU N N 15 119.636 0.000 . . . . . . B 369 GLU N . 34291 1 1180 . 2 2 115 115 ALA H H 1 7.688 0.001 . . . . . . B 370 ALA H . 34291 1 1181 . 2 2 115 115 ALA HA H 1 4.276 0.001 . . . . . . B 370 ALA HA . 34291 1 1182 . 2 2 115 115 ALA HB1 H 1 1.502 0.001 . . . . . . B 370 ALA HB1 . 34291 1 1183 . 2 2 115 115 ALA HB2 H 1 1.502 0.001 . . . . . . B 370 ALA HB2 . 34291 1 1184 . 2 2 115 115 ALA HB3 H 1 1.502 0.001 . . . . . . B 370 ALA HB3 . 34291 1 1185 . 2 2 115 115 ALA CB C 13 20.360 0.000 . . . . . . B 370 ALA CB . 34291 1 1186 . 2 2 115 115 ALA N N 15 129.651 0.000 . . . . . . B 370 ALA N . 34291 1 stop_ save_