data_15511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15511 _Entry.Title ; 1H,13C and 15N chemical shift assignments for stereo-array isotope labelled (SAIL) C-terminal dimerization domain of SARS coronavirus nucleocapsid protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-06 _Entry.Accession_date 2007-10-06 _Entry.Last_release_date 2007-10-08 _Entry.Original_release_date 2007-10-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mitsuhiro Takeda . . . . 15511 2 Chung-ke Chang . . . . 15511 3 Teppei Ikeya . . . . 15511 4 Peter Guntert . . . . 15511 5 Yuan-hsiang Chang . . . . 15511 6 Yen-lan Hsu . . . . 15511 7 Tai-huang Huang . . . . 15511 8 Masatsune Kainosho . . . . 15511 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SAIL . 15511 'SARS coronavirus nucleocapsid protein' . 15511 'nucleocapsid packaging' . 15511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 15511 '15N chemical shifts' 123 15511 '1H chemical shifts' 575 15511 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 . . 2008-07-03 2007-10-06 update BMRB 'complete entry citation' 15511 1 . . 2008-06-26 2007-10-06 original author 'original release' 15511 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JW8 'BMRB Entry Tracking System' 15511 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15511 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18561946 _Citation.Full_citation . _Citation.Title ; Solution Structure of the C-terminal Dimerization Domain of SARS Coronavirus Nucleocapsid Protein Solved by the SAIL-NMR Method ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 380 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 608 _Citation.Page_last 622 _Citation.Year 2008 _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 Mitsuhiro Takeda . . . . 15511 1 2 Chung-ke Chang . . . . 15511 1 3 Teppei Ikeya . . . . 15511 1 4 Peter Guntert . . . . 15511 1 5 Yuan-hsiang Chang . . . . 15511 1 6 Yen-lan Hsu . . . . 15511 1 7 Tai-huang Huang . . . . 15511 1 8 Masatsune Kainosho . . . . 15511 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 15511 1 SAIL 15511 1 'SARS nucleocapsid protein' 15511 1 'nucleocapsid packaging' 15511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15511 _Assembly.ID 1 _Assembly.Name 'C-terminal dimerization domain of SARS coronavirus nucleocapsid protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'homo dimer' _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 subunit1 1 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 A . yes native no no 1 'dimerization domain' . 15511 1 2 subunit2 1 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 B . yes native no no 1 'dimerization domain' . 15511 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2cjr . . X-ray 2.50 'crystal structure for the same construct' . 15511 1 yes PDB 2gib . . X-ray 1.75 'crystal structure of the shorter construct' . 15511 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 15511 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID dimerization 15511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SARS_coronavirus_nucleocapsid_protein_residues_248-365 _Entity.Sf_category entity _Entity.Sf_framecode SARS_coronavirus_nucleocapsid_protein_residues_248-365 _Entity.Entry_ID 15511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SARS_coronavirus_nucleocapsid_protein_residues_248-365 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHAMGTKKSAAEASK KPRQKRTATKQYNVTQAFGR RGPEQTQGNFGDQDLIRQGT DYKHWPQIAQFAPSASAFFG MSRIGMEVTPSGTWLTYHGA IKLDDKDPQFKDNVILLNKH IDAYKTFP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 -9 MET . 15511 1 2 -8 HIS . 15511 1 3 -7 HIS . 15511 1 4 -6 HIS . 15511 1 5 -5 HIS . 15511 1 6 -4 HIS . 15511 1 7 -3 HIS . 15511 1 8 -2 ALA . 15511 1 9 -1 MET . 15511 1 10 0 GLY . 15511 1 11 248 THR . 15511 1 12 249 LYS . 15511 1 13 250 LYS . 15511 1 14 251 SER . 15511 1 15 252 ALA . 15511 1 16 253 ALA . 15511 1 17 254 GLU . 15511 1 18 255 ALA . 15511 1 19 256 SER . 15511 1 20 257 LYS . 15511 1 21 258 LYS . 15511 1 22 259 PRO . 15511 1 23 260 ARG . 15511 1 24 261 GLN . 15511 1 25 262 LYS . 15511 1 26 263 ARG . 15511 1 27 264 THR . 15511 1 28 265 ALA . 15511 1 29 266 THR . 15511 1 30 267 LYS . 15511 1 31 268 GLN . 15511 1 32 269 TYR . 15511 1 33 270 ASN . 15511 1 34 271 VAL . 15511 1 35 272 THR . 15511 1 36 273 GLN . 15511 1 37 274 ALA . 15511 1 38 275 PHE . 15511 1 39 276 GLY . 15511 1 40 277 ARG . 15511 1 41 278 ARG . 15511 1 42 279 GLY . 15511 1 43 280 PRO . 15511 1 44 281 GLU . 15511 1 45 282 GLN . 15511 1 46 283 THR . 15511 1 47 284 GLN . 15511 1 48 285 GLY . 15511 1 49 286 ASN . 15511 1 50 287 PHE . 15511 1 51 288 GLY . 15511 1 52 289 ASP . 15511 1 53 290 GLN . 15511 1 54 291 ASP . 15511 1 55 292 LEU . 15511 1 56 293 ILE . 15511 1 57 294 ARG . 15511 1 58 295 GLN . 15511 1 59 296 GLY . 15511 1 60 297 THR . 15511 1 61 298 ASP . 15511 1 62 299 TYR . 15511 1 63 300 LYS . 15511 1 64 301 HIS . 15511 1 65 302 TRP . 15511 1 66 303 PRO . 15511 1 67 304 GLN . 15511 1 68 305 ILE . 15511 1 69 306 ALA . 15511 1 70 307 GLN . 15511 1 71 308 PHE . 15511 1 72 309 ALA . 15511 1 73 310 PRO . 15511 1 74 311 SER . 15511 1 75 312 ALA . 15511 1 76 313 SER . 15511 1 77 314 ALA . 15511 1 78 315 PHE . 15511 1 79 316 PHE . 15511 1 80 317 GLY . 15511 1 81 318 MET . 15511 1 82 319 SER . 15511 1 83 320 ARG . 15511 1 84 321 ILE . 15511 1 85 322 GLY . 15511 1 86 323 MET . 15511 1 87 324 GLU . 15511 1 88 325 VAL . 15511 1 89 326 THR . 15511 1 90 327 PRO . 15511 1 91 328 SER . 15511 1 92 329 GLY . 15511 1 93 330 THR . 15511 1 94 331 TRP . 15511 1 95 332 LEU . 15511 1 96 333 THR . 15511 1 97 334 TYR . 15511 1 98 335 HIS . 15511 1 99 336 GLY . 15511 1 100 337 ALA . 15511 1 101 338 ILE . 15511 1 102 339 LYS . 15511 1 103 340 LEU . 15511 1 104 341 ASP . 15511 1 105 342 ASP . 15511 1 106 343 LYS . 15511 1 107 344 ASP . 15511 1 108 345 PRO . 15511 1 109 346 GLN . 15511 1 110 347 PHE . 15511 1 111 348 LYS . 15511 1 112 349 ASP . 15511 1 113 350 ASN . 15511 1 114 351 VAL . 15511 1 115 352 ILE . 15511 1 116 353 LEU . 15511 1 117 354 LEU . 15511 1 118 355 ASN . 15511 1 119 356 LYS . 15511 1 120 357 HIS . 15511 1 121 358 ILE . 15511 1 122 359 ASP . 15511 1 123 360 ALA . 15511 1 124 361 TYR . 15511 1 125 362 LYS . 15511 1 126 363 THR . 15511 1 127 364 PHE . 15511 1 128 365 PRO . 15511 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15511 1 . HIS 2 2 15511 1 . HIS 3 3 15511 1 . HIS 4 4 15511 1 . HIS 5 5 15511 1 . HIS 6 6 15511 1 . HIS 7 7 15511 1 . ALA 8 8 15511 1 . MET 9 9 15511 1 . GLY 10 10 15511 1 . THR 11 11 15511 1 . LYS 12 12 15511 1 . LYS 13 13 15511 1 . SER 14 14 15511 1 . ALA 15 15 15511 1 . ALA 16 16 15511 1 . GLU 17 17 15511 1 . ALA 18 18 15511 1 . SER 19 19 15511 1 . LYS 20 20 15511 1 . LYS 21 21 15511 1 . PRO 22 22 15511 1 . ARG 23 23 15511 1 . GLN 24 24 15511 1 . LYS 25 25 15511 1 . ARG 26 26 15511 1 . THR 27 27 15511 1 . ALA 28 28 15511 1 . THR 29 29 15511 1 . LYS 30 30 15511 1 . GLN 31 31 15511 1 . TYR 32 32 15511 1 . ASN 33 33 15511 1 . VAL 34 34 15511 1 . THR 35 35 15511 1 . GLN 36 36 15511 1 . ALA 37 37 15511 1 . PHE 38 38 15511 1 . GLY 39 39 15511 1 . ARG 40 40 15511 1 . ARG 41 41 15511 1 . GLY 42 42 15511 1 . PRO 43 43 15511 1 . GLU 44 44 15511 1 . GLN 45 45 15511 1 . THR 46 46 15511 1 . GLN 47 47 15511 1 . GLY 48 48 15511 1 . ASN 49 49 15511 1 . PHE 50 50 15511 1 . GLY 51 51 15511 1 . ASP 52 52 15511 1 . GLN 53 53 15511 1 . ASP 54 54 15511 1 . LEU 55 55 15511 1 . ILE 56 56 15511 1 . ARG 57 57 15511 1 . GLN 58 58 15511 1 . GLY 59 59 15511 1 . THR 60 60 15511 1 . ASP 61 61 15511 1 . TYR 62 62 15511 1 . LYS 63 63 15511 1 . HIS 64 64 15511 1 . TRP 65 65 15511 1 . PRO 66 66 15511 1 . GLN 67 67 15511 1 . ILE 68 68 15511 1 . ALA 69 69 15511 1 . GLN 70 70 15511 1 . PHE 71 71 15511 1 . ALA 72 72 15511 1 . PRO 73 73 15511 1 . SER 74 74 15511 1 . ALA 75 75 15511 1 . SER 76 76 15511 1 . ALA 77 77 15511 1 . PHE 78 78 15511 1 . PHE 79 79 15511 1 . GLY 80 80 15511 1 . MET 81 81 15511 1 . SER 82 82 15511 1 . ARG 83 83 15511 1 . ILE 84 84 15511 1 . GLY 85 85 15511 1 . MET 86 86 15511 1 . GLU 87 87 15511 1 . VAL 88 88 15511 1 . THR 89 89 15511 1 . PRO 90 90 15511 1 . SER 91 91 15511 1 . GLY 92 92 15511 1 . THR 93 93 15511 1 . TRP 94 94 15511 1 . LEU 95 95 15511 1 . THR 96 96 15511 1 . TYR 97 97 15511 1 . HIS 98 98 15511 1 . GLY 99 99 15511 1 . ALA 100 100 15511 1 . ILE 101 101 15511 1 . LYS 102 102 15511 1 . LEU 103 103 15511 1 . ASP 104 104 15511 1 . ASP 105 105 15511 1 . LYS 106 106 15511 1 . ASP 107 107 15511 1 . PRO 108 108 15511 1 . GLN 109 109 15511 1 . PHE 110 110 15511 1 . LYS 111 111 15511 1 . ASP 112 112 15511 1 . ASN 113 113 15511 1 . VAL 114 114 15511 1 . ILE 115 115 15511 1 . LEU 116 116 15511 1 . LEU 117 117 15511 1 . ASN 118 118 15511 1 . LYS 119 119 15511 1 . HIS 120 120 15511 1 . ILE 121 121 15511 1 . ASP 122 122 15511 1 . ALA 123 123 15511 1 . TYR 124 124 15511 1 . LYS 125 125 15511 1 . THR 126 126 15511 1 . PHE 127 127 15511 1 . PRO 128 128 15511 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15511 _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 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 . 248485 virus . 'SARS Corona virus' . . . Viruses . Coronavirus 'SARS coronavirus' . . . . . . . . . . . . . 15511 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 15511 _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 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . pET . . . 15511 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15511 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SARS coronavirus nucleocapsid protein residues 248-365' 'full SAIL isotope labeling' . . 1 $SARS_coronavirus_nucleocapsid_protein_residues_248-365 . . 0.5 . . mM 0.1 . . . 15511 1 2 D2O . . . . . . . 10 . . % . . . . 15511 1 3 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 15511 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15511 _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' 50 5 mM 15511 1 pH 6.0 0.1 pH 15511 1 pressure 1 . atm 15511 1 temperature 303 1 K 15511 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15511 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15511 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15511 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15511 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15511 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15511 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15511 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15511 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 15511 1 2 spectrometer_2 Bruker Avance . 600 . . . 15511 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 15511 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15511 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15511 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15511 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15511 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15511 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15511 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 15511 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 15511 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 15511 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15511 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Systematic_chem_shift_offset: SAIL isotope labeling; all 13C.' _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 3 '3D HNCA' . . . 15511 1 4 '3D HN(CO)CA' . . . 15511 1 5 '3D HCCH-TOCSY' . . . 15511 1 8 '3D HNCACB' . . . 15511 1 9 '3D HBHA(CO)NH' . . . 15511 1 10 '3D CBCA(CO)NH' . . . 15511 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CYANA . . 15511 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 11 11 THR H H 1 8.038 0.020 . 1 . . . . . 248 T H . 15511 1 2 . 1 1 11 11 THR HA H 1 4.292 0.020 . 1 . . . . . 248 T HA . 15511 1 3 . 1 1 11 11 THR HB H 1 4.179 0.020 . 1 . . . . . 248 T HB . 15511 1 4 . 1 1 11 11 THR HG21 H 1 1.133 0.020 . 1 . . . . . 248 T HG2 . 15511 1 5 . 1 1 11 11 THR HG22 H 1 1.133 0.020 . 1 . . . . . 248 T HG2 . 15511 1 6 . 1 1 11 11 THR HG23 H 1 1.133 0.020 . 1 . . . . . 248 T HG2 . 15511 1 7 . 1 1 11 11 THR CA C 13 62.025 0.200 . 1 . . . . . 248 T CA . 15511 1 8 . 1 1 11 11 THR CB C 13 69.924 0.200 . 1 . . . . . 248 T CB . 15511 1 9 . 1 1 11 11 THR CG2 C 13 21.479 0.200 . 1 . . . . . 248 T CG2 . 15511 1 10 . 1 1 11 11 THR N N 15 113.795 0.200 . 1 . . . . . 248 T N . 15511 1 11 . 1 1 12 12 LYS H H 1 8.335 0.020 . 1 . . . . . 249 K H . 15511 1 12 . 1 1 12 12 LYS HA H 1 4.212 0.020 . 1 . . . . . 249 K HA . 15511 1 13 . 1 1 12 12 LYS HB3 H 1 1.822 0.020 . 1 . . . . . 249 K HB3 . 15511 1 14 . 1 1 12 12 LYS HE2 H 1 2.888 0.020 . 1 . . . . . 249 K HE2 . 15511 1 15 . 1 1 12 12 LYS HG3 H 1 1.397 0.020 . 1 . . . . . 249 K HG3 . 15511 1 16 . 1 1 12 12 LYS CA C 13 56.573 0.200 . 1 . . . . . 249 K CA . 15511 1 17 . 1 1 12 12 LYS CB C 13 32.376 0.200 . 1 . . . . . 249 K CB . 15511 1 18 . 1 1 12 12 LYS CE C 13 41.802 0.200 . 1 . . . . . 249 K CE . 15511 1 19 . 1 1 12 12 LYS CG C 13 25.234 0.200 . 1 . . . . . 249 K CG . 15511 1 20 . 1 1 12 12 LYS N N 15 123.834 0.200 . 1 . . . . . 249 K N . 15511 1 21 . 1 1 13 13 LYS H H 1 8.323 0.020 . 1 . . . . . 250 K H . 15511 1 22 . 1 1 13 13 LYS HA H 1 4.266 0.020 . 1 . . . . . 250 K HA . 15511 1 23 . 1 1 13 13 LYS HB3 H 1 1.767 0.020 . 1 . . . . . 250 K HB3 . 15511 1 24 . 1 1 13 13 LYS HD3 H 1 1.596 0.020 . 1 . . . . . 250 K HD3 . 15511 1 25 . 1 1 13 13 LYS HE2 H 1 2.911 0.020 . 1 . . . . . 250 K HE2 . 15511 1 26 . 1 1 13 13 LYS HG3 H 1 1.389 0.020 . 1 . . . . . 250 K HG3 . 15511 1 27 . 1 1 13 13 LYS CA C 13 56.569 0.200 . 1 . . . . . 250 K CA . 15511 1 28 . 1 1 13 13 LYS CB C 13 32.540 0.200 . 1 . . . . . 250 K CB . 15511 1 29 . 1 1 13 13 LYS CD C 13 28.553 0.200 . 1 . . . . . 250 K CD . 15511 1 30 . 1 1 13 13 LYS CE C 13 41.794 0.200 . 1 . . . . . 250 K CE . 15511 1 31 . 1 1 13 13 LYS CG C 13 24.352 0.200 . 1 . . . . . 250 K CG . 15511 1 32 . 1 1 13 13 LYS N N 15 122.816 0.200 . 1 . . . . . 250 K N . 15511 1 33 . 1 1 14 14 SER H H 1 8.305 0.020 . 1 . . . . . 251 S H . 15511 1 34 . 1 1 14 14 SER HA H 1 4.345 0.020 . 1 . . . . . 251 S HA . 15511 1 35 . 1 1 14 14 SER HB2 H 1 3.804 0.020 . 1 . . . . . 251 S HB2 . 15511 1 36 . 1 1 14 14 SER CA C 13 58.430 0.200 . 1 . . . . . 251 S CA . 15511 1 37 . 1 1 14 14 SER CB C 13 63.671 0.200 . 1 . . . . . 251 S CB . 15511 1 38 . 1 1 14 14 SER N N 15 117.112 0.200 . 1 . . . . . 251 S N . 15511 1 39 . 1 1 15 15 ALA H H 1 8.393 0.020 . 1 . . . . . 252 A H . 15511 1 40 . 1 1 15 15 ALA HA H 1 4.153 0.020 . 1 . . . . . 252 A HA . 15511 1 41 . 1 1 15 15 ALA HB1 H 1 1.339 0.020 . 1 . . . . . 252 A HB . 15511 1 42 . 1 1 15 15 ALA HB2 H 1 1.339 0.020 . 1 . . . . . 252 A HB . 15511 1 43 . 1 1 15 15 ALA HB3 H 1 1.339 0.020 . 1 . . . . . 252 A HB . 15511 1 44 . 1 1 15 15 ALA CA C 13 53.215 0.200 . 1 . . . . . 252 A CA . 15511 1 45 . 1 1 15 15 ALA CB C 13 18.560 0.200 . 1 . . . . . 252 A CB . 15511 1 46 . 1 1 15 15 ALA N N 15 126.080 0.200 . 1 . . . . . 252 A N . 15511 1 47 . 1 1 16 16 ALA H H 1 8.129 0.020 . 1 . . . . . 253 A H . 15511 1 48 . 1 1 16 16 ALA HA H 1 4.126 0.020 . 1 . . . . . 253 A HA . 15511 1 49 . 1 1 16 16 ALA HB1 H 1 1.292 0.020 . 1 . . . . . 253 A HB . 15511 1 50 . 1 1 16 16 ALA HB2 H 1 1.292 0.020 . 1 . . . . . 253 A HB . 15511 1 51 . 1 1 16 16 ALA HB3 H 1 1.292 0.020 . 1 . . . . . 253 A HB . 15511 1 52 . 1 1 16 16 ALA CA C 13 53.209 0.200 . 1 . . . . . 253 A CA . 15511 1 53 . 1 1 16 16 ALA CB C 13 18.391 0.200 . 1 . . . . . 253 A CB . 15511 1 54 . 1 1 16 16 ALA N N 15 122.138 0.200 . 1 . . . . . 253 A N . 15511 1 55 . 1 1 17 17 GLU H H 1 8.080 0.020 . 1 . . . . . 254 E H . 15511 1 56 . 1 1 17 17 GLU HA H 1 4.056 0.020 . 1 . . . . . 254 E HA . 15511 1 57 . 1 1 17 17 GLU HB2 H 1 1.887 0.020 . 1 . . . . . 254 E HB2 . 15511 1 58 . 1 1 17 17 GLU HG2 H 1 2.170 0.020 . 1 . . . . . 254 E HG2 . 15511 1 59 . 1 1 17 17 GLU CA C 13 57.385 0.200 . 1 . . . . . 254 E CA . 15511 1 60 . 1 1 17 17 GLU CB C 13 29.761 0.200 . 1 . . . . . 254 E CB . 15511 1 61 . 1 1 17 17 GLU CG C 13 36.070 0.200 . 1 . . . . . 254 E CG . 15511 1 62 . 1 1 17 17 GLU N N 15 119.460 0.200 . 1 . . . . . 254 E N . 15511 1 63 . 1 1 18 18 ALA H H 1 8.102 0.020 . 1 . . . . . 255 A H . 15511 1 64 . 1 1 18 18 ALA HA H 1 4.024 0.020 . 1 . . . . . 255 A HA . 15511 1 65 . 1 1 18 18 ALA HB1 H 1 1.140 0.020 . 1 . . . . . 255 A HB . 15511 1 66 . 1 1 18 18 ALA HB2 H 1 1.140 0.020 . 1 . . . . . 255 A HB . 15511 1 67 . 1 1 18 18 ALA HB3 H 1 1.140 0.020 . 1 . . . . . 255 A HB . 15511 1 68 . 1 1 18 18 ALA CA C 13 53.847 0.200 . 1 . . . . . 255 A CA . 15511 1 69 . 1 1 18 18 ALA CB C 13 18.572 0.200 . 1 . . . . . 255 A CB . 15511 1 70 . 1 1 18 18 ALA N N 15 124.032 0.200 . 1 . . . . . 255 A N . 15511 1 71 . 1 1 19 19 SER H H 1 7.733 0.020 . 1 . . . . . 256 S H . 15511 1 72 . 1 1 19 19 SER HA H 1 4.237 0.020 . 1 . . . . . 256 S HA . 15511 1 73 . 1 1 19 19 SER HB2 H 1 3.649 0.020 . 1 . . . . . 256 S HB2 . 15511 1 74 . 1 1 19 19 SER CA C 13 58.986 0.200 . 1 . . . . . 256 S CA . 15511 1 75 . 1 1 19 19 SER CB C 13 63.342 0.200 . 1 . . . . . 256 S CB . 15511 1 76 . 1 1 19 19 SER N N 15 112.047 0.200 . 1 . . . . . 256 S N . 15511 1 77 . 1 1 20 20 LYS H H 1 7.730 0.020 . 1 . . . . . 257 K H . 15511 1 78 . 1 1 20 20 LYS HA H 1 4.242 0.020 . 1 . . . . . 257 K HA . 15511 1 79 . 1 1 20 20 LYS HB3 H 1 1.802 0.020 . 1 . . . . . 257 K HB3 . 15511 1 80 . 1 1 20 20 LYS HG3 H 1 1.427 0.020 . 1 . . . . . 257 K HG3 . 15511 1 81 . 1 1 20 20 LYS CA C 13 56.034 0.200 . 1 . . . . . 257 K CA . 15511 1 82 . 1 1 20 20 LYS CB C 13 32.236 0.200 . 1 . . . . . 257 K CB . 15511 1 83 . 1 1 20 20 LYS CG C 13 24.540 0.200 . 1 . . . . . 257 K CG . 15511 1 84 . 1 1 20 20 LYS N N 15 121.593 0.200 . 1 . . . . . 257 K N . 15511 1 85 . 1 1 21 21 LYS H H 1 7.749 0.020 . 1 . . . . . 258 K H . 15511 1 86 . 1 1 21 21 LYS HA H 1 4.485 0.020 . 1 . . . . . 258 K HA . 15511 1 87 . 1 1 21 21 LYS HB3 H 1 1.603 0.020 . 1 . . . . . 258 K HB3 . 15511 1 88 . 1 1 21 21 LYS HG3 H 1 1.479 0.020 . 1 . . . . . 258 K HG3 . 15511 1 89 . 1 1 21 21 LYS CA C 13 54.170 0.200 . 1 . . . . . 258 K CA . 15511 1 90 . 1 1 21 21 LYS CB C 13 32.065 0.200 . 1 . . . . . 258 K CB . 15511 1 91 . 1 1 21 21 LYS CG C 13 24.638 0.200 . 1 . . . . . 258 K CG . 15511 1 92 . 1 1 21 21 LYS N N 15 121.775 0.200 . 1 . . . . . 258 K N . 15511 1 93 . 1 1 22 22 PRO HA H 1 4.445 0.020 . 1 . . . . . 259 P HA . 15511 1 94 . 1 1 22 22 PRO HB2 H 1 1.680 0.020 . 1 . . . . . 259 P HB2 . 15511 1 95 . 1 1 22 22 PRO HD3 H 1 3.450 0.020 . 1 . . . . . 259 P HD3 . 15511 1 96 . 1 1 22 22 PRO HG2 H 1 1.918 0.020 . 1 . . . . . 259 P HG2 . 15511 1 97 . 1 1 22 22 PRO CA C 13 62.987 0.200 . 1 . . . . . 259 P CA . 15511 1 98 . 1 1 22 22 PRO CB C 13 32.424 0.200 . 1 . . . . . 259 P CB . 15511 1 99 . 1 1 22 22 PRO CD C 13 50.571 0.200 . 1 . . . . . 259 P CD . 15511 1 100 . 1 1 22 22 PRO CG C 13 27.490 0.200 . 1 . . . . . 259 P CG . 15511 1 101 . 1 1 23 23 ARG H H 1 9.011 0.020 . 1 . . . . . 260 R H . 15511 1 102 . 1 1 23 23 ARG HA H 1 3.534 0.020 . 1 . . . . . 260 R HA . 15511 1 103 . 1 1 23 23 ARG HB3 H 1 1.937 0.020 . 1 . . . . . 260 R HB3 . 15511 1 104 . 1 1 23 23 ARG HD2 H 1 3.426 0.020 . 1 . . . . . 260 R HD2 . 15511 1 105 . 1 1 23 23 ARG HG3 H 1 2.062 0.020 . 1 . . . . . 260 R HG3 . 15511 1 106 . 1 1 23 23 ARG CA C 13 61.357 0.200 . 1 . . . . . 260 R CA . 15511 1 107 . 1 1 23 23 ARG CB C 13 31.458 0.200 . 1 . . . . . 260 R CB . 15511 1 108 . 1 1 23 23 ARG CD C 13 43.925 0.200 . 1 . . . . . 260 R CD . 15511 1 109 . 1 1 23 23 ARG CG C 13 31.474 0.200 . 1 . . . . . 260 R CG . 15511 1 110 . 1 1 23 23 ARG N N 15 123.630 0.200 . 1 . . . . . 260 R N . 15511 1 111 . 1 1 24 24 GLN H H 1 9.115 0.020 . 1 . . . . . 261 Q H . 15511 1 112 . 1 1 24 24 GLN HA H 1 4.410 0.020 . 1 . . . . . 261 Q HA . 15511 1 113 . 1 1 24 24 GLN CA C 13 57.586 0.200 . 1 . . . . . 261 Q CA . 15511 1 114 . 1 1 24 24 GLN N N 15 110.436 0.200 . 1 . . . . . 261 Q N . 15511 1 115 . 1 1 25 25 LYS H H 1 8.077 0.020 . 1 . . . . . 262 K H . 15511 1 116 . 1 1 25 25 LYS HA H 1 4.641 0.020 . 1 . . . . . 262 K HA . 15511 1 117 . 1 1 25 25 LYS HB3 H 1 2.197 0.020 . 1 . . . . . 262 K HB3 . 15511 1 118 . 1 1 25 25 LYS HD3 H 1 1.648 0.020 . 1 . . . . . 262 K HD3 . 15511 1 119 . 1 1 25 25 LYS HG3 H 1 1.527 0.020 . 1 . . . . . 262 K HG3 . 15511 1 120 . 1 1 25 25 LYS CA C 13 53.035 0.200 . 1 . . . . . 262 K CA . 15511 1 121 . 1 1 25 25 LYS CB C 13 33.024 0.200 . 1 . . . . . 262 K CB . 15511 1 122 . 1 1 25 25 LYS CD C 13 27.204 0.200 . 1 . . . . . 262 K CD . 15511 1 123 . 1 1 25 25 LYS CG C 13 23.892 0.200 . 1 . . . . . 262 K CG . 15511 1 124 . 1 1 25 25 LYS N N 15 116.199 0.200 . 1 . . . . . 262 K N . 15511 1 125 . 1 1 26 26 ARG H H 1 7.542 0.020 . 1 . . . . . 263 R H . 15511 1 126 . 1 1 26 26 ARG HA H 1 4.235 0.020 . 1 . . . . . 263 R HA . 15511 1 127 . 1 1 26 26 ARG HB3 H 1 2.009 0.020 . 1 . . . . . 263 R HB3 . 15511 1 128 . 1 1 26 26 ARG CA C 13 57.747 0.200 . 1 . . . . . 263 R CA . 15511 1 129 . 1 1 26 26 ARG CB C 13 31.466 0.200 . 1 . . . . . 263 R CB . 15511 1 130 . 1 1 26 26 ARG N N 15 120.237 0.200 . 1 . . . . . 263 R N . 15511 1 131 . 1 1 27 27 THR H H 1 8.398 0.020 . 1 . . . . . 264 T H . 15511 1 132 . 1 1 27 27 THR HA H 1 4.353 0.020 . 1 . . . . . 264 T HA . 15511 1 133 . 1 1 27 27 THR HB H 1 3.930 0.020 . 1 . . . . . 264 T HB . 15511 1 134 . 1 1 27 27 THR HG21 H 1 1.141 0.020 . 1 . . . . . 264 T HG2 . 15511 1 135 . 1 1 27 27 THR HG22 H 1 1.141 0.020 . 1 . . . . . 264 T HG2 . 15511 1 136 . 1 1 27 27 THR HG23 H 1 1.141 0.020 . 1 . . . . . 264 T HG2 . 15511 1 137 . 1 1 27 27 THR CA C 13 62.460 0.200 . 1 . . . . . 264 T CA . 15511 1 138 . 1 1 27 27 THR CB C 13 71.215 0.200 . 1 . . . . . 264 T CB . 15511 1 139 . 1 1 27 27 THR CG2 C 13 22.014 0.200 . 1 . . . . . 264 T CG2 . 15511 1 140 . 1 1 27 27 THR N N 15 117.102 0.200 . 1 . . . . . 264 T N . 15511 1 141 . 1 1 28 28 ALA H H 1 8.424 0.020 . 1 . . . . . 265 A H . 15511 1 142 . 1 1 28 28 ALA HA H 1 5.090 0.020 . 1 . . . . . 265 A HA . 15511 1 143 . 1 1 28 28 ALA HB1 H 1 1.100 0.020 . 1 . . . . . 265 A HB . 15511 1 144 . 1 1 28 28 ALA HB2 H 1 1.100 0.020 . 1 . . . . . 265 A HB . 15511 1 145 . 1 1 28 28 ALA HB3 H 1 1.100 0.020 . 1 . . . . . 265 A HB . 15511 1 146 . 1 1 28 28 ALA CA C 13 50.934 0.200 . 1 . . . . . 265 A CA . 15511 1 147 . 1 1 28 28 ALA CB C 13 19.460 0.200 . 1 . . . . . 265 A CB . 15511 1 148 . 1 1 28 28 ALA N N 15 128.969 0.200 . 1 . . . . . 265 A N . 15511 1 149 . 1 1 29 29 THR H H 1 8.927 0.020 . 1 . . . . . 266 T H . 15511 1 150 . 1 1 29 29 THR HA H 1 4.476 0.020 . 1 . . . . . 266 T HA . 15511 1 151 . 1 1 29 29 THR HB H 1 4.657 0.020 . 1 . . . . . 266 T HB . 15511 1 152 . 1 1 29 29 THR HG21 H 1 1.021 0.020 . 1 . . . . . 266 T HG2 . 15511 1 153 . 1 1 29 29 THR HG22 H 1 1.021 0.020 . 1 . . . . . 266 T HG2 . 15511 1 154 . 1 1 29 29 THR HG23 H 1 1.021 0.020 . 1 . . . . . 266 T HG2 . 15511 1 155 . 1 1 29 29 THR CA C 13 61.099 0.200 . 1 . . . . . 266 T CA . 15511 1 156 . 1 1 29 29 THR CB C 13 73.582 0.200 . 1 . . . . . 266 T CB . 15511 1 157 . 1 1 29 29 THR CG2 C 13 21.263 0.200 . 1 . . . . . 266 T CG2 . 15511 1 158 . 1 1 29 29 THR N N 15 117.473 0.200 . 1 . . . . . 266 T N . 15511 1 159 . 1 1 30 30 LYS H H 1 9.268 0.020 . 1 . . . . . 267 K H . 15511 1 160 . 1 1 30 30 LYS HA H 1 4.521 0.020 . 1 . . . . . 267 K HA . 15511 1 161 . 1 1 30 30 LYS HB3 H 1 1.805 0.020 . 1 . . . . . 267 K HB3 . 15511 1 162 . 1 1 30 30 LYS HE2 H 1 2.925 0.020 . 1 . . . . . 267 K HE2 . 15511 1 163 . 1 1 30 30 LYS HG3 H 1 1.587 0.020 . 1 . . . . . 267 K HG3 . 15511 1 164 . 1 1 30 30 LYS CA C 13 59.070 0.200 . 1 . . . . . 267 K CA . 15511 1 165 . 1 1 30 30 LYS CB C 13 32.173 0.200 . 1 . . . . . 267 K CB . 15511 1 166 . 1 1 30 30 LYS CE C 13 41.497 0.200 . 1 . . . . . 267 K CE . 15511 1 167 . 1 1 30 30 LYS CG C 13 25.306 0.200 . 1 . . . . . 267 K CG . 15511 1 168 . 1 1 30 30 LYS N N 15 117.644 0.200 . 1 . . . . . 267 K N . 15511 1 169 . 1 1 31 31 GLN H H 1 7.662 0.020 . 1 . . . . . 268 Q H . 15511 1 170 . 1 1 31 31 GLN HA H 1 4.257 0.020 . 1 . . . . . 268 Q HA . 15511 1 171 . 1 1 31 31 GLN HB2 H 1 1.799 0.020 . 1 . . . . . 268 Q HB2 . 15511 1 172 . 1 1 31 31 GLN HG2 H 1 2.356 0.020 . 1 . . . . . 268 Q HG2 . 15511 1 173 . 1 1 31 31 GLN CA C 13 57.146 0.200 . 1 . . . . . 268 Q CA . 15511 1 174 . 1 1 31 31 GLN CB C 13 29.126 0.200 . 1 . . . . . 268 Q CB . 15511 1 175 . 1 1 31 31 GLN CG C 13 34.139 0.200 . 1 . . . . . 268 Q CG . 15511 1 176 . 1 1 31 31 GLN N N 15 114.755 0.200 . 1 . . . . . 268 Q N . 15511 1 177 . 1 1 32 32 TYR H H 1 7.288 0.020 . 1 . . . . . 269 Y H . 15511 1 178 . 1 1 32 32 TYR HA H 1 4.714 0.020 . 1 . . . . . 269 Y HA . 15511 1 179 . 1 1 32 32 TYR HB3 H 1 2.891 0.020 . 1 . . . . . 269 Y HB3 . 15511 1 180 . 1 1 32 32 TYR HE1 H 1 6.354 0.020 . 3 . . . . . 269 Y HE1 . 15511 1 181 . 1 1 32 32 TYR HE2 H 1 6.411 0.020 . 3 . . . . . 269 Y HE2 . 15511 1 182 . 1 1 32 32 TYR CA C 13 56.407 0.200 . 1 . . . . . 269 Y CA . 15511 1 183 . 1 1 32 32 TYR CB C 13 37.092 0.200 . 1 . . . . . 269 Y CB . 15511 1 184 . 1 1 32 32 TYR CE1 C 13 117.390 0.200 . 3 . . . . . 269 Y CE1 . 15511 1 185 . 1 1 32 32 TYR CE2 C 13 117.397 0.200 . 3 . . . . . 269 Y CE2 . 15511 1 186 . 1 1 32 32 TYR N N 15 125.710 0.200 . 1 . . . . . 269 Y N . 15511 1 187 . 1 1 33 33 ASN H H 1 8.190 0.020 . 1 . . . . . 270 N H . 15511 1 188 . 1 1 33 33 ASN N N 15 122.852 0.200 . 1 . . . . . 270 N N . 15511 1 189 . 1 1 34 34 VAL H H 1 7.962 0.020 . 1 . . . . . 271 V H . 15511 1 190 . 1 1 34 34 VAL HA H 1 3.390 0.020 . 1 . . . . . 271 V HA . 15511 1 191 . 1 1 34 34 VAL HB H 1 2.246 0.020 . 1 . . . . . 271 V HB . 15511 1 192 . 1 1 34 34 VAL HG21 H 1 0.979 0.020 . 1 . . . . . 271 V HG2 . 15511 1 193 . 1 1 34 34 VAL HG22 H 1 0.979 0.020 . 1 . . . . . 271 V HG2 . 15511 1 194 . 1 1 34 34 VAL HG23 H 1 0.979 0.020 . 1 . . . . . 271 V HG2 . 15511 1 195 . 1 1 34 34 VAL CA C 13 67.192 0.200 . 1 . . . . . 271 V CA . 15511 1 196 . 1 1 34 34 VAL CB C 13 31.464 0.200 . 1 . . . . . 271 V CB . 15511 1 197 . 1 1 34 34 VAL CG2 C 13 23.614 0.200 . 1 . . . . . 271 V CG2 . 15511 1 198 . 1 1 34 34 VAL N N 15 112.971 0.200 . 1 . . . . . 271 V N . 15511 1 199 . 1 1 35 35 THR H H 1 7.176 0.020 . 1 . . . . . 272 T H . 15511 1 200 . 1 1 35 35 THR HA H 1 3.707 0.020 . 1 . . . . . 272 T HA . 15511 1 201 . 1 1 35 35 THR HB H 1 4.080 0.020 . 1 . . . . . 272 T HB . 15511 1 202 . 1 1 35 35 THR HG21 H 1 1.035 0.020 . 1 . . . . . 272 T HG2 . 15511 1 203 . 1 1 35 35 THR HG22 H 1 1.035 0.020 . 1 . . . . . 272 T HG2 . 15511 1 204 . 1 1 35 35 THR HG23 H 1 1.035 0.020 . 1 . . . . . 272 T HG2 . 15511 1 205 . 1 1 35 35 THR CA C 13 65.409 0.200 . 1 . . . . . 272 T CA . 15511 1 206 . 1 1 35 35 THR CB C 13 67.708 0.200 . 1 . . . . . 272 T CB . 15511 1 207 . 1 1 35 35 THR CG2 C 13 22.604 0.200 . 1 . . . . . 272 T CG2 . 15511 1 208 . 1 1 35 35 THR N N 15 115.346 0.200 . 1 . . . . . 272 T N . 15511 1 209 . 1 1 36 36 GLN H H 1 7.869 0.020 . 1 . . . . . 273 Q H . 15511 1 210 . 1 1 36 36 GLN HA H 1 3.721 0.020 . 1 . . . . . 273 Q HA . 15511 1 211 . 1 1 36 36 GLN HB2 H 1 1.671 0.020 . 1 . . . . . 273 Q HB2 . 15511 1 212 . 1 1 36 36 GLN HE21 H 1 6.872 0.020 . 2 . . . . . 273 Q HE21 . 15511 1 213 . 1 1 36 36 GLN HE22 H 1 7.500 0.020 . 2 . . . . . 273 Q HE22 . 15511 1 214 . 1 1 36 36 GLN HG2 H 1 2.206 0.020 . 1 . . . . . 273 Q HG2 . 15511 1 215 . 1 1 36 36 GLN CA C 13 58.861 0.200 . 1 . . . . . 273 Q CA . 15511 1 216 . 1 1 36 36 GLN CB C 13 28.689 0.200 . 1 . . . . . 273 Q CB . 15511 1 217 . 1 1 36 36 GLN CG C 13 34.484 0.200 . 1 . . . . . 273 Q CG . 15511 1 218 . 1 1 36 36 GLN N N 15 122.417 0.200 . 1 . . . . . 273 Q N . 15511 1 219 . 1 1 36 36 GLN NE2 N 15 111.779 0.200 . 1 . . . . . 273 Q NE2 . 15511 1 220 . 1 1 37 37 ALA H H 1 8.105 0.020 . 1 . . . . . 274 A H . 15511 1 221 . 1 1 37 37 ALA HA H 1 3.673 0.020 . 1 . . . . . 274 A HA . 15511 1 222 . 1 1 37 37 ALA HB1 H 1 -0.239 0.020 . 1 . . . . . 274 A HB . 15511 1 223 . 1 1 37 37 ALA HB2 H 1 -0.239 0.020 . 1 . . . . . 274 A HB . 15511 1 224 . 1 1 37 37 ALA HB3 H 1 -0.239 0.020 . 1 . . . . . 274 A HB . 15511 1 225 . 1 1 37 37 ALA CA C 13 54.126 0.200 . 1 . . . . . 274 A CA . 15511 1 226 . 1 1 37 37 ALA CB C 13 17.520 0.200 . 1 . . . . . 274 A CB . 15511 1 227 . 1 1 37 37 ALA N N 15 119.110 0.200 . 1 . . . . . 274 A N . 15511 1 228 . 1 1 38 38 PHE H H 1 8.194 0.020 . 1 . . . . . 275 F H . 15511 1 229 . 1 1 38 38 PHE HA H 1 5.037 0.020 . 1 . . . . . 275 F HA . 15511 1 230 . 1 1 38 38 PHE HB3 H 1 3.256 0.020 . 1 . . . . . 275 F HB3 . 15511 1 231 . 1 1 38 38 PHE HE1 H 1 7.129 0.020 . 3 . . . . . 275 F HE1 . 15511 1 232 . 1 1 38 38 PHE HE2 H 1 7.986 0.020 . 3 . . . . . 275 F HE2 . 15511 1 233 . 1 1 38 38 PHE CA C 13 56.224 0.200 . 1 . . . . . 275 F CA . 15511 1 234 . 1 1 38 38 PHE CB C 13 40.723 0.200 . 1 . . . . . 275 F CB . 15511 1 235 . 1 1 38 38 PHE CE1 C 13 131.742 0.200 . 3 . . . . . 275 F CE1 . 15511 1 236 . 1 1 38 38 PHE CE2 C 13 132.384 0.200 . 3 . . . . . 275 F CE2 . 15511 1 237 . 1 1 38 38 PHE N N 15 110.371 0.200 . 1 . . . . . 275 F N . 15511 1 238 . 1 1 39 39 GLY H H 1 7.737 0.020 . 1 . . . . . 276 G H . 15511 1 239 . 1 1 39 39 GLY HA3 H 1 4.023 0.020 . 1 . . . . . 276 G HA3 . 15511 1 240 . 1 1 39 39 GLY CA C 13 44.282 0.200 . 1 . . . . . 276 G CA . 15511 1 241 . 1 1 39 39 GLY N N 15 110.934 0.200 . 1 . . . . . 276 G N . 15511 1 242 . 1 1 40 40 ARG H H 1 8.780 0.020 . 1 . . . . . 277 R H . 15511 1 243 . 1 1 40 40 ARG HA H 1 4.344 0.020 . 1 . . . . . 277 R HA . 15511 1 244 . 1 1 40 40 ARG HB3 H 1 1.764 0.020 . 1 . . . . . 277 R HB3 . 15511 1 245 . 1 1 40 40 ARG CA C 13 57.019 0.200 . 1 . . . . . 277 R CA . 15511 1 246 . 1 1 40 40 ARG CB C 13 30.096 0.200 . 1 . . . . . 277 R CB . 15511 1 247 . 1 1 40 40 ARG N N 15 121.233 0.200 . 1 . . . . . 277 R N . 15511 1 248 . 1 1 41 41 ARG H H 1 8.526 0.020 . 1 . . . . . 278 R H . 15511 1 249 . 1 1 41 41 ARG HA H 1 4.709 0.020 . 1 . . . . . 278 R HA . 15511 1 250 . 1 1 41 41 ARG HB3 H 1 1.645 0.020 . 1 . . . . . 278 R HB3 . 15511 1 251 . 1 1 41 41 ARG HD2 H 1 3.382 0.020 . 1 . . . . . 278 R HD2 . 15511 1 252 . 1 1 41 41 ARG HE H 1 6.485 0.020 . 1 . . . . . 278 R HE . 15511 1 253 . 1 1 41 41 ARG CA C 13 54.853 0.200 . 1 . . . . . 278 R CA . 15511 1 254 . 1 1 41 41 ARG CB C 13 33.778 0.200 . 1 . . . . . 278 R CB . 15511 1 255 . 1 1 41 41 ARG CD C 13 43.744 0.200 . 1 . . . . . 278 R CD . 15511 1 256 . 1 1 41 41 ARG N N 15 123.970 0.200 . 1 . . . . . 278 R N . 15511 1 257 . 1 1 41 41 ARG NE N 15 82.623 0.200 . 1 . . . . . 278 R NE . 15511 1 258 . 1 1 42 42 GLY H H 1 7.584 0.020 . 1 . . . . . 279 G H . 15511 1 259 . 1 1 42 42 GLY HA3 H 1 2.726 0.020 . 1 . . . . . 279 G HA3 . 15511 1 260 . 1 1 42 42 GLY CA C 13 45.619 0.200 . 1 . . . . . 279 G CA . 15511 1 261 . 1 1 42 42 GLY N N 15 107.109 0.200 . 1 . . . . . 279 G N . 15511 1 262 . 1 1 43 43 PRO HA H 1 4.487 0.020 . 1 . . . . . 280 P HA . 15511 1 263 . 1 1 43 43 PRO HB2 H 1 2.007 0.020 . 1 . . . . . 280 P HB2 . 15511 1 264 . 1 1 43 43 PRO HD3 H 1 3.699 0.020 . 1 . . . . . 280 P HD3 . 15511 1 265 . 1 1 43 43 PRO HG2 H 1 1.906 0.020 . 1 . . . . . 280 P HG2 . 15511 1 266 . 1 1 43 43 PRO CA C 13 63.504 0.200 . 1 . . . . . 280 P CA . 15511 1 267 . 1 1 43 43 PRO CB C 13 33.148 0.200 . 1 . . . . . 280 P CB . 15511 1 268 . 1 1 43 43 PRO CD C 13 49.458 0.200 . 1 . . . . . 280 P CD . 15511 1 269 . 1 1 43 43 PRO CG C 13 25.436 0.200 . 1 . . . . . 280 P CG . 15511 1 270 . 1 1 44 44 GLU H H 1 8.310 0.020 . 1 . . . . . 281 E H . 15511 1 271 . 1 1 44 44 GLU HA H 1 4.185 0.020 . 1 . . . . . 281 E HA . 15511 1 272 . 1 1 44 44 GLU HB2 H 1 1.635 0.020 . 1 . . . . . 281 E HB2 . 15511 1 273 . 1 1 44 44 GLU HG2 H 1 2.163 0.020 . 1 . . . . . 281 E HG2 . 15511 1 274 . 1 1 44 44 GLU CA C 13 56.859 0.200 . 1 . . . . . 281 E CA . 15511 1 275 . 1 1 44 44 GLU CB C 13 29.146 0.200 . 1 . . . . . 281 E CB . 15511 1 276 . 1 1 44 44 GLU CG C 13 36.117 0.200 . 1 . . . . . 281 E CG . 15511 1 277 . 1 1 44 44 GLU N N 15 120.374 0.200 . 1 . . . . . 281 E N . 15511 1 278 . 1 1 45 45 GLN H H 1 8.806 0.020 . 1 . . . . . 282 Q H . 15511 1 279 . 1 1 45 45 GLN HA H 1 3.835 0.020 . 1 . . . . . 282 Q HA . 15511 1 280 . 1 1 45 45 GLN HB2 H 1 1.960 0.020 . 1 . . . . . 282 Q HB2 . 15511 1 281 . 1 1 45 45 GLN HE21 H 1 6.726 0.020 . 2 . . . . . 282 Q HE21 . 15511 1 282 . 1 1 45 45 GLN HE22 H 1 7.454 0.020 . 2 . . . . . 282 Q HE22 . 15511 1 283 . 1 1 45 45 GLN HG2 H 1 2.316 0.020 . 1 . . . . . 282 Q HG2 . 15511 1 284 . 1 1 45 45 GLN CA C 13 58.911 0.200 . 1 . . . . . 282 Q CA . 15511 1 285 . 1 1 45 45 GLN CB C 13 28.500 0.200 . 1 . . . . . 282 Q CB . 15511 1 286 . 1 1 45 45 GLN CG C 13 33.393 0.200 . 1 . . . . . 282 Q CG . 15511 1 287 . 1 1 45 45 GLN N N 15 118.594 0.200 . 1 . . . . . 282 Q N . 15511 1 288 . 1 1 45 45 GLN NE2 N 15 112.482 0.200 . 1 . . . . . 282 Q NE2 . 15511 1 289 . 1 1 46 46 THR H H 1 7.071 0.020 . 1 . . . . . 283 T H . 15511 1 290 . 1 1 46 46 THR HA H 1 4.220 0.020 . 1 . . . . . 283 T HA . 15511 1 291 . 1 1 46 46 THR HB H 1 4.447 0.020 . 1 . . . . . 283 T HB . 15511 1 292 . 1 1 46 46 THR HG21 H 1 0.887 0.020 . 1 . . . . . 283 T HG2 . 15511 1 293 . 1 1 46 46 THR HG22 H 1 0.887 0.020 . 1 . . . . . 283 T HG2 . 15511 1 294 . 1 1 46 46 THR HG23 H 1 0.887 0.020 . 1 . . . . . 283 T HG2 . 15511 1 295 . 1 1 46 46 THR CA C 13 61.174 0.200 . 1 . . . . . 283 T CA . 15511 1 296 . 1 1 46 46 THR CB C 13 68.760 0.200 . 1 . . . . . 283 T CB . 15511 1 297 . 1 1 46 46 THR CG2 C 13 21.365 0.200 . 1 . . . . . 283 T CG2 . 15511 1 298 . 1 1 46 46 THR N N 15 102.963 0.200 . 1 . . . . . 283 T N . 15511 1 299 . 1 1 47 47 GLN H H 1 7.822 0.020 . 1 . . . . . 284 Q H . 15511 1 300 . 1 1 47 47 GLN HA H 1 4.721 0.020 . 1 . . . . . 284 Q HA . 15511 1 301 . 1 1 47 47 GLN HB2 H 1 1.855 0.020 . 1 . . . . . 284 Q HB2 . 15511 1 302 . 1 1 47 47 GLN HE21 H 1 6.487 0.020 . 2 . . . . . 284 Q HE21 . 15511 1 303 . 1 1 47 47 GLN HE22 H 1 6.934 0.020 . 2 . . . . . 284 Q HE22 . 15511 1 304 . 1 1 47 47 GLN HG2 H 1 2.215 0.020 . 1 . . . . . 284 Q HG2 . 15511 1 305 . 1 1 47 47 GLN CA C 13 54.337 0.200 . 1 . . . . . 284 Q CA . 15511 1 306 . 1 1 47 47 GLN CB C 13 31.320 0.200 . 1 . . . . . 284 Q CB . 15511 1 307 . 1 1 47 47 GLN CG C 13 34.273 0.200 . 1 . . . . . 284 Q CG . 15511 1 308 . 1 1 47 47 GLN N N 15 122.891 0.200 . 1 . . . . . 284 Q N . 15511 1 309 . 1 1 47 47 GLN NE2 N 15 109.380 0.200 . 1 . . . . . 284 Q NE2 . 15511 1 310 . 1 1 48 48 GLY H H 1 8.465 0.020 . 1 . . . . . 285 G H . 15511 1 311 . 1 1 48 48 GLY HA3 H 1 3.961 0.020 . 1 . . . . . 285 G HA3 . 15511 1 312 . 1 1 48 48 GLY CA C 13 45.350 0.200 . 1 . . . . . 285 G CA . 15511 1 313 . 1 1 48 48 GLY N N 15 107.512 0.200 . 1 . . . . . 285 G N . 15511 1 314 . 1 1 49 49 ASN H H 1 8.006 0.020 . 1 . . . . . 286 N H . 15511 1 315 . 1 1 49 49 ASN HA H 1 5.050 0.020 . 1 . . . . . 286 N HA . 15511 1 316 . 1 1 49 49 ASN HB2 H 1 2.719 0.020 . 1 . . . . . 286 N HB2 . 15511 1 317 . 1 1 49 49 ASN CA C 13 52.458 0.200 . 1 . . . . . 286 N CA . 15511 1 318 . 1 1 49 49 ASN CB C 13 41.060 0.200 . 1 . . . . . 286 N CB . 15511 1 319 . 1 1 49 49 ASN N N 15 115.803 0.200 . 1 . . . . . 286 N N . 15511 1 320 . 1 1 50 50 PHE H H 1 9.762 0.020 . 1 . . . . . 287 F H . 15511 1 321 . 1 1 50 50 PHE HA H 1 5.010 0.020 . 1 . . . . . 287 F HA . 15511 1 322 . 1 1 50 50 PHE HB3 H 1 3.995 0.020 . 1 . . . . . 287 F HB3 . 15511 1 323 . 1 1 50 50 PHE CA C 13 59.966 0.200 . 1 . . . . . 287 F CA . 15511 1 324 . 1 1 50 50 PHE CB C 13 41.720 0.200 . 1 . . . . . 287 F CB . 15511 1 325 . 1 1 50 50 PHE N N 15 129.008 0.200 . 1 . . . . . 287 F N . 15511 1 326 . 1 1 51 51 GLY H H 1 9.281 0.020 . 1 . . . . . 288 G H . 15511 1 327 . 1 1 51 51 GLY HA3 H 1 3.808 0.020 . 1 . . . . . 288 G HA3 . 15511 1 328 . 1 1 51 51 GLY CA C 13 45.248 0.200 . 1 . . . . . 288 G CA . 15511 1 329 . 1 1 51 51 GLY N N 15 119.583 0.200 . 1 . . . . . 288 G N . 15511 1 330 . 1 1 52 52 ASP H H 1 10.698 0.020 . 1 . . . . . 289 D H . 15511 1 331 . 1 1 52 52 ASP HA H 1 4.700 0.020 . 1 . . . . . 289 D HA . 15511 1 332 . 1 1 52 52 ASP HB2 H 1 2.421 0.020 . 1 . . . . . 289 D HB2 . 15511 1 333 . 1 1 52 52 ASP CA C 13 52.450 0.200 . 1 . . . . . 289 D CA . 15511 1 334 . 1 1 52 52 ASP CB C 13 39.524 0.200 . 1 . . . . . 289 D CB . 15511 1 335 . 1 1 52 52 ASP N N 15 132.367 0.200 . 1 . . . . . 289 D N . 15511 1 336 . 1 1 53 53 GLN H H 1 8.277 0.020 . 1 . . . . . 290 Q H . 15511 1 337 . 1 1 53 53 GLN HA H 1 3.585 0.020 . 1 . . . . . 290 Q HA . 15511 1 338 . 1 1 53 53 GLN HB2 H 1 1.651 0.020 . 1 . . . . . 290 Q HB2 . 15511 1 339 . 1 1 53 53 GLN HE21 H 1 6.690 0.020 . 2 . . . . . 290 Q HE21 . 15511 1 340 . 1 1 53 53 GLN HE22 H 1 6.844 0.020 . 2 . . . . . 290 Q HE22 . 15511 1 341 . 1 1 53 53 GLN HG2 H 1 1.565 0.020 . 1 . . . . . 290 Q HG2 . 15511 1 342 . 1 1 53 53 GLN CA C 13 60.112 0.200 . 1 . . . . . 290 Q CA . 15511 1 343 . 1 1 53 53 GLN CB C 13 28.673 0.200 . 1 . . . . . 290 Q CB . 15511 1 344 . 1 1 53 53 GLN CG C 13 33.721 0.200 . 1 . . . . . 290 Q CG . 15511 1 345 . 1 1 53 53 GLN N N 15 113.112 0.200 . 1 . . . . . 290 Q N . 15511 1 346 . 1 1 53 53 GLN NE2 N 15 111.495 0.200 . 1 . . . . . 290 Q NE2 . 15511 1 347 . 1 1 54 54 ASP H H 1 7.645 0.020 . 1 . . . . . 291 D H . 15511 1 348 . 1 1 54 54 ASP HA H 1 4.460 0.020 . 1 . . . . . 291 D HA . 15511 1 349 . 1 1 54 54 ASP HB2 H 1 3.021 0.020 . 1 . . . . . 291 D HB2 . 15511 1 350 . 1 1 54 54 ASP CA C 13 57.164 0.200 . 1 . . . . . 291 D CA . 15511 1 351 . 1 1 54 54 ASP CB C 13 40.723 0.200 . 1 . . . . . 291 D CB . 15511 1 352 . 1 1 54 54 ASP N N 15 118.628 0.200 . 1 . . . . . 291 D N . 15511 1 353 . 1 1 55 55 LEU H H 1 8.287 0.020 . 1 . . . . . 292 L H . 15511 1 354 . 1 1 55 55 LEU HA H 1 3.576 0.020 . 1 . . . . . 292 L HA . 15511 1 355 . 1 1 55 55 LEU HB3 H 1 1.486 0.020 . 1 . . . . . 292 L HB3 . 15511 1 356 . 1 1 55 55 LEU HD11 H 1 0.688 0.020 . 1 . . . . . 292 L HD1 . 15511 1 357 . 1 1 55 55 LEU HD12 H 1 0.688 0.020 . 1 . . . . . 292 L HD1 . 15511 1 358 . 1 1 55 55 LEU HD13 H 1 0.688 0.020 . 1 . . . . . 292 L HD1 . 15511 1 359 . 1 1 55 55 LEU HG H 1 1.336 0.020 . 1 . . . . . 292 L HG . 15511 1 360 . 1 1 55 55 LEU CA C 13 58.841 0.200 . 1 . . . . . 292 L CA . 15511 1 361 . 1 1 55 55 LEU CB C 13 40.710 0.200 . 1 . . . . . 292 L CB . 15511 1 362 . 1 1 55 55 LEU CD1 C 13 24.786 0.200 . 1 . . . . . 292 L CD1 . 15511 1 363 . 1 1 55 55 LEU CG C 13 27.899 0.200 . 1 . . . . . 292 L CG . 15511 1 364 . 1 1 55 55 LEU N N 15 121.422 0.200 . 1 . . . . . 292 L N . 15511 1 365 . 1 1 56 56 ILE H H 1 8.780 0.020 . 1 . . . . . 293 I H . 15511 1 366 . 1 1 56 56 ILE HA H 1 3.576 0.020 . 1 . . . . . 293 I HA . 15511 1 367 . 1 1 56 56 ILE HB H 1 1.742 0.020 . 1 . . . . . 293 I HB . 15511 1 368 . 1 1 56 56 ILE HD11 H 1 0.926 0.020 . 1 . . . . . 293 I HD1 . 15511 1 369 . 1 1 56 56 ILE HD12 H 1 0.926 0.020 . 1 . . . . . 293 I HD1 . 15511 1 370 . 1 1 56 56 ILE HD13 H 1 0.926 0.020 . 1 . . . . . 293 I HD1 . 15511 1 371 . 1 1 56 56 ILE HG21 H 1 0.869 0.020 . 1 . . . . . 293 I HG2 . 15511 1 372 . 1 1 56 56 ILE HG22 H 1 0.869 0.020 . 1 . . . . . 293 I HG2 . 15511 1 373 . 1 1 56 56 ILE HG23 H 1 0.869 0.020 . 1 . . . . . 293 I HG2 . 15511 1 374 . 1 1 56 56 ILE CA C 13 65.304 0.200 . 1 . . . . . 293 I CA . 15511 1 375 . 1 1 56 56 ILE CB C 13 37.846 0.200 . 1 . . . . . 293 I CB . 15511 1 376 . 1 1 56 56 ILE CD1 C 13 14.989 0.200 . 1 . . . . . 293 I CD1 . 15511 1 377 . 1 1 56 56 ILE CG2 C 13 17.620 0.200 . 1 . . . . . 293 I CG2 . 15511 1 378 . 1 1 56 56 ILE N N 15 116.406 0.200 . 1 . . . . . 293 I N . 15511 1 379 . 1 1 57 57 ARG H H 1 7.273 0.020 . 1 . . . . . 294 R H . 15511 1 380 . 1 1 57 57 ARG HA H 1 4.100 0.020 . 1 . . . . . 294 R HA . 15511 1 381 . 1 1 57 57 ARG HB3 H 1 1.932 0.020 . 1 . . . . . 294 R HB3 . 15511 1 382 . 1 1 57 57 ARG HD2 H 1 3.211 0.020 . 1 . . . . . 294 R HD2 . 15511 1 383 . 1 1 57 57 ARG HG3 H 1 1.794 0.020 . 1 . . . . . 294 R HG3 . 15511 1 384 . 1 1 57 57 ARG CA C 13 58.396 0.200 . 1 . . . . . 294 R CA . 15511 1 385 . 1 1 57 57 ARG CB C 13 31.106 0.200 . 1 . . . . . 294 R CB . 15511 1 386 . 1 1 57 57 ARG CD C 13 43.247 0.200 . 1 . . . . . 294 R CD . 15511 1 387 . 1 1 57 57 ARG CG C 13 28.033 0.200 . 1 . . . . . 294 R CG . 15511 1 388 . 1 1 57 57 ARG N N 15 115.237 0.200 . 1 . . . . . 294 R N . 15511 1 389 . 1 1 58 58 GLN H H 1 7.756 0.020 . 1 . . . . . 295 Q H . 15511 1 390 . 1 1 58 58 GLN HA H 1 4.322 0.020 . 1 . . . . . 295 Q HA . 15511 1 391 . 1 1 58 58 GLN HB2 H 1 1.901 0.020 . 1 . . . . . 295 Q HB2 . 15511 1 392 . 1 1 58 58 GLN HE21 H 1 6.853 0.020 . 2 . . . . . 295 Q HE21 . 15511 1 393 . 1 1 58 58 GLN HE22 H 1 7.319 0.020 . 2 . . . . . 295 Q HE22 . 15511 1 394 . 1 1 58 58 GLN HG2 H 1 2.148 0.020 . 1 . . . . . 295 Q HG2 . 15511 1 395 . 1 1 58 58 GLN CA C 13 56.230 0.200 . 1 . . . . . 295 Q CA . 15511 1 396 . 1 1 58 58 GLN CB C 13 31.125 0.200 . 1 . . . . . 295 Q CB . 15511 1 397 . 1 1 58 58 GLN CG C 13 34.247 0.200 . 1 . . . . . 295 Q CG . 15511 1 398 . 1 1 58 58 GLN N N 15 113.730 0.200 . 1 . . . . . 295 Q N . 15511 1 399 . 1 1 58 58 GLN NE2 N 15 109.196 0.200 . 1 . . . . . 295 Q NE2 . 15511 1 400 . 1 1 59 59 GLY H H 1 9.263 0.020 . 1 . . . . . 296 G H . 15511 1 401 . 1 1 59 59 GLY HA3 H 1 3.219 0.020 . 1 . . . . . 296 G HA3 . 15511 1 402 . 1 1 59 59 GLY CA C 13 46.403 0.200 . 1 . . . . . 296 G CA . 15511 1 403 . 1 1 59 59 GLY N N 15 109.779 0.200 . 1 . . . . . 296 G N . 15511 1 404 . 1 1 60 60 THR H H 1 8.332 0.020 . 1 . . . . . 297 T H . 15511 1 405 . 1 1 60 60 THR HA H 1 3.032 0.020 . 1 . . . . . 297 T HA . 15511 1 406 . 1 1 60 60 THR HB H 1 3.974 0.020 . 1 . . . . . 297 T HB . 15511 1 407 . 1 1 60 60 THR HG21 H 1 0.539 0.020 . 1 . . . . . 297 T HG2 . 15511 1 408 . 1 1 60 60 THR HG22 H 1 0.539 0.020 . 1 . . . . . 297 T HG2 . 15511 1 409 . 1 1 60 60 THR HG23 H 1 0.539 0.020 . 1 . . . . . 297 T HG2 . 15511 1 410 . 1 1 60 60 THR CA C 13 63.439 0.200 . 1 . . . . . 297 T CA . 15511 1 411 . 1 1 60 60 THR CB C 13 69.160 0.200 . 1 . . . . . 297 T CB . 15511 1 412 . 1 1 60 60 THR CG2 C 13 20.997 0.200 . 1 . . . . . 297 T CG2 . 15511 1 413 . 1 1 60 60 THR N N 15 115.355 0.200 . 1 . . . . . 297 T N . 15511 1 414 . 1 1 61 61 ASP H H 1 8.019 0.020 . 1 . . . . . 298 D H . 15511 1 415 . 1 1 61 61 ASP HA H 1 4.718 0.020 . 1 . . . . . 298 D HA . 15511 1 416 . 1 1 61 61 ASP HB2 H 1 2.988 0.020 . 1 . . . . . 298 D HB2 . 15511 1 417 . 1 1 61 61 ASP CA C 13 55.635 0.200 . 1 . . . . . 298 D CA . 15511 1 418 . 1 1 61 61 ASP CB C 13 41.054 0.200 . 1 . . . . . 298 D CB . 15511 1 419 . 1 1 61 61 ASP N N 15 118.815 0.200 . 1 . . . . . 298 D N . 15511 1 420 . 1 1 62 62 TYR H H 1 7.971 0.020 . 1 . . . . . 299 Y H . 15511 1 421 . 1 1 62 62 TYR HA H 1 4.581 0.020 . 1 . . . . . 299 Y HA . 15511 1 422 . 1 1 62 62 TYR HB3 H 1 3.183 0.020 . 1 . . . . . 299 Y HB3 . 15511 1 423 . 1 1 62 62 TYR HE1 H 1 6.348 0.020 . 3 . . . . . 299 Y QE . 15511 1 424 . 1 1 62 62 TYR HE2 H 1 6.348 0.020 . 3 . . . . . 299 Y QE . 15511 1 425 . 1 1 62 62 TYR CA C 13 56.980 0.200 . 1 . . . . . 299 Y CA . 15511 1 426 . 1 1 62 62 TYR CB C 13 40.365 0.200 . 1 . . . . . 299 Y CB . 15511 1 427 . 1 1 62 62 TYR CE1 C 13 117.427 0.200 . 3 . . . . . 299 Y CE1 . 15511 1 428 . 1 1 62 62 TYR N N 15 123.370 0.200 . 1 . . . . . 299 Y N . 15511 1 429 . 1 1 63 63 LYS H H 1 8.891 0.020 . 1 . . . . . 300 K H . 15511 1 430 . 1 1 63 63 LYS HA H 1 3.829 0.020 . 1 . . . . . 300 K HA . 15511 1 431 . 1 1 63 63 LYS HB3 H 1 1.056 0.020 . 1 . . . . . 300 K HB3 . 15511 1 432 . 1 1 63 63 LYS HD3 H 1 1.379 0.020 . 1 . . . . . 300 K HD3 . 15511 1 433 . 1 1 63 63 LYS HE2 H 1 2.781 0.020 . 1 . . . . . 300 K HE2 . 15511 1 434 . 1 1 63 63 LYS HG3 H 1 0.481 0.020 . 1 . . . . . 300 K HG3 . 15511 1 435 . 1 1 63 63 LYS CA C 13 59.342 0.200 . 1 . . . . . 300 K CA . 15511 1 436 . 1 1 63 63 LYS CB C 13 31.589 0.200 . 1 . . . . . 300 K CB . 15511 1 437 . 1 1 63 63 LYS CD C 13 28.512 0.200 . 1 . . . . . 300 K CD . 15511 1 438 . 1 1 63 63 LYS CE C 13 41.435 0.200 . 1 . . . . . 300 K CE . 15511 1 439 . 1 1 63 63 LYS CG C 13 22.947 0.200 . 1 . . . . . 300 K CG . 15511 1 440 . 1 1 63 63 LYS N N 15 130.151 0.200 . 1 . . . . . 300 K N . 15511 1 441 . 1 1 64 64 HIS HA H 1 5.209 0.020 . 1 . . . . . 301 H HA . 15511 1 442 . 1 1 64 64 HIS HB3 H 1 3.496 0.020 . 1 . . . . . 301 H HB3 . 15511 1 443 . 1 1 64 64 HIS HD2 H 1 6.831 0.020 . 1 . . . . . 301 H HD2 . 15511 1 444 . 1 1 64 64 HIS HE1 H 1 7.750 0.020 . 1 . . . . . 301 H HE1 . 15511 1 445 . 1 1 64 64 HIS CA C 13 53.688 0.200 . 1 . . . . . 301 H CA . 15511 1 446 . 1 1 64 64 HIS CB C 13 29.796 0.200 . 1 . . . . . 301 H CB . 15511 1 447 . 1 1 64 64 HIS CD2 C 13 121.492 0.200 . 1 . . . . . 301 H CD2 . 15511 1 448 . 1 1 64 64 HIS CE1 C 13 139.121 0.200 . 1 . . . . . 301 H CE1 . 15511 1 449 . 1 1 65 65 TRP H H 1 8.120 0.020 . 1 . . . . . 302 W H . 15511 1 450 . 1 1 65 65 TRP HA H 1 4.557 0.020 . 1 . . . . . 302 W HA . 15511 1 451 . 1 1 65 65 TRP HD1 H 1 7.313 0.020 . 1 . . . . . 302 W HD1 . 15511 1 452 . 1 1 65 65 TRP HE1 H 1 10.726 0.020 . 1 . . . . . 302 W HE1 . 15511 1 453 . 1 1 65 65 TRP HE3 H 1 7.337 0.020 . 1 . . . . . 302 W HE3 . 15511 1 454 . 1 1 65 65 TRP HH2 H 1 7.387 0.020 . 1 . . . . . 302 W HH2 . 15511 1 455 . 1 1 65 65 TRP CA C 13 61.535 0.200 . 1 . . . . . 302 W CA . 15511 1 456 . 1 1 65 65 TRP CD1 C 13 127.988 0.200 . 1 . . . . . 302 W CD1 . 15511 1 457 . 1 1 65 65 TRP CE3 C 13 121.083 0.200 . 1 . . . . . 302 W CE3 . 15511 1 458 . 1 1 65 65 TRP CH2 C 13 124.223 0.200 . 1 . . . . . 302 W CH2 . 15511 1 459 . 1 1 65 65 TRP N N 15 120.868 0.200 . 1 . . . . . 302 W N . 15511 1 460 . 1 1 65 65 TRP NE1 N 15 131.487 0.200 . 1 . . . . . 302 W NE1 . 15511 1 461 . 1 1 66 66 PRO HA H 1 3.870 0.020 . 1 . . . . . 303 P HA . 15511 1 462 . 1 1 66 66 PRO HB2 H 1 1.721 0.020 . 1 . . . . . 303 P HB2 . 15511 1 463 . 1 1 66 66 PRO HD3 H 1 3.631 0.020 . 1 . . . . . 303 P HD3 . 15511 1 464 . 1 1 66 66 PRO HG2 H 1 2.162 0.020 . 1 . . . . . 303 P HG2 . 15511 1 465 . 1 1 66 66 PRO CA C 13 66.675 0.200 . 1 . . . . . 303 P CA . 15511 1 466 . 1 1 66 66 PRO CB C 13 30.192 0.200 . 1 . . . . . 303 P CB . 15511 1 467 . 1 1 66 66 PRO CD C 13 49.585 0.200 . 1 . . . . . 303 P CD . 15511 1 468 . 1 1 66 66 PRO CG C 13 28.450 0.200 . 1 . . . . . 303 P CG . 15511 1 469 . 1 1 67 67 GLN H H 1 7.111 0.020 . 1 . . . . . 304 Q H . 15511 1 470 . 1 1 67 67 GLN HA H 1 3.865 0.020 . 1 . . . . . 304 Q HA . 15511 1 471 . 1 1 67 67 GLN HB2 H 1 2.065 0.020 . 1 . . . . . 304 Q HB2 . 15511 1 472 . 1 1 67 67 GLN HE21 H 1 6.580 0.020 . 2 . . . . . 304 Q HE21 . 15511 1 473 . 1 1 67 67 GLN HE22 H 1 7.895 0.020 . 2 . . . . . 304 Q HE22 . 15511 1 474 . 1 1 67 67 GLN HG2 H 1 2.437 0.020 . 1 . . . . . 304 Q HG2 . 15511 1 475 . 1 1 67 67 GLN CA C 13 58.022 0.200 . 1 . . . . . 304 Q CA . 15511 1 476 . 1 1 67 67 GLN CB C 13 28.134 0.200 . 1 . . . . . 304 Q CB . 15511 1 477 . 1 1 67 67 GLN CG C 13 33.798 0.200 . 1 . . . . . 304 Q CG . 15511 1 478 . 1 1 67 67 GLN N N 15 115.942 0.200 . 1 . . . . . 304 Q N . 15511 1 479 . 1 1 67 67 GLN NE2 N 15 108.888 0.200 . 1 . . . . . 304 Q NE2 . 15511 1 480 . 1 1 68 68 ILE H H 1 7.171 0.020 . 1 . . . . . 305 I H . 15511 1 481 . 1 1 68 68 ILE HA H 1 3.540 0.020 . 1 . . . . . 305 I HA . 15511 1 482 . 1 1 68 68 ILE HB H 1 1.131 0.020 . 1 . . . . . 305 I HB . 15511 1 483 . 1 1 68 68 ILE HD11 H 1 0.670 0.020 . 1 . . . . . 305 I HD1 . 15511 1 484 . 1 1 68 68 ILE HD12 H 1 0.670 0.020 . 1 . . . . . 305 I HD1 . 15511 1 485 . 1 1 68 68 ILE HD13 H 1 0.670 0.020 . 1 . . . . . 305 I HD1 . 15511 1 486 . 1 1 68 68 ILE HG12 H 1 0.627 0.020 . 1 . . . . . 305 I HG12 . 15511 1 487 . 1 1 68 68 ILE HG21 H 1 -0.477 0.020 . 1 . . . . . 305 I HG2 . 15511 1 488 . 1 1 68 68 ILE HG22 H 1 -0.477 0.020 . 1 . . . . . 305 I HG2 . 15511 1 489 . 1 1 68 68 ILE HG23 H 1 -0.477 0.020 . 1 . . . . . 305 I HG2 . 15511 1 490 . 1 1 68 68 ILE CA C 13 64.153 0.200 . 1 . . . . . 305 I CA . 15511 1 491 . 1 1 68 68 ILE CB C 13 38.183 0.200 . 1 . . . . . 305 I CB . 15511 1 492 . 1 1 68 68 ILE CD1 C 13 13.834 0.200 . 1 . . . . . 305 I CD1 . 15511 1 493 . 1 1 68 68 ILE CG1 C 13 28.790 0.200 . 1 . . . . . 305 I CG1 . 15511 1 494 . 1 1 68 68 ILE CG2 C 13 15.922 0.200 . 1 . . . . . 305 I CG2 . 15511 1 495 . 1 1 68 68 ILE N N 15 118.570 0.200 . 1 . . . . . 305 I N . 15511 1 496 . 1 1 69 69 ALA H H 1 7.998 0.020 . 1 . . . . . 306 A H . 15511 1 497 . 1 1 69 69 ALA HA H 1 3.302 0.020 . 1 . . . . . 306 A HA . 15511 1 498 . 1 1 69 69 ALA HB1 H 1 0.727 0.020 . 1 . . . . . 306 A HB . 15511 1 499 . 1 1 69 69 ALA HB2 H 1 0.727 0.020 . 1 . . . . . 306 A HB . 15511 1 500 . 1 1 69 69 ALA HB3 H 1 0.727 0.020 . 1 . . . . . 306 A HB . 15511 1 501 . 1 1 69 69 ALA CA C 13 54.619 0.200 . 1 . . . . . 306 A CA . 15511 1 502 . 1 1 69 69 ALA CB C 13 16.672 0.200 . 1 . . . . . 306 A CB . 15511 1 503 . 1 1 69 69 ALA N N 15 118.631 0.200 . 1 . . . . . 306 A N . 15511 1 504 . 1 1 70 70 GLN H H 1 6.698 0.020 . 1 . . . . . 307 Q H . 15511 1 505 . 1 1 70 70 GLN HA H 1 4.017 0.020 . 1 . . . . . 307 Q HA . 15511 1 506 . 1 1 70 70 GLN HB2 H 1 1.805 0.020 . 1 . . . . . 307 Q HB2 . 15511 1 507 . 1 1 70 70 GLN HE21 H 1 6.947 0.020 . 2 . . . . . 307 Q HE21 . 15511 1 508 . 1 1 70 70 GLN HE22 H 1 8.005 0.020 . 2 . . . . . 307 Q HE22 . 15511 1 509 . 1 1 70 70 GLN HG2 H 1 1.598 0.020 . 1 . . . . . 307 Q HG2 . 15511 1 510 . 1 1 70 70 GLN CA C 13 57.422 0.200 . 1 . . . . . 307 Q CA . 15511 1 511 . 1 1 70 70 GLN CB C 13 27.480 0.200 . 1 . . . . . 307 Q CB . 15511 1 512 . 1 1 70 70 GLN CG C 13 31.473 0.200 . 1 . . . . . 307 Q CG . 15511 1 513 . 1 1 70 70 GLN N N 15 115.304 0.200 . 1 . . . . . 307 Q N . 15511 1 514 . 1 1 70 70 GLN NE2 N 15 113.881 0.200 . 1 . . . . . 307 Q NE2 . 15511 1 515 . 1 1 71 71 PHE H H 1 7.796 0.020 . 1 . . . . . 308 F H . 15511 1 516 . 1 1 71 71 PHE HA H 1 4.340 0.020 . 1 . . . . . 308 F HA . 15511 1 517 . 1 1 71 71 PHE HB3 H 1 3.442 0.020 . 1 . . . . . 308 F HB3 . 15511 1 518 . 1 1 71 71 PHE HE1 H 1 7.376 0.020 . 3 . . . . . 308 F QE . 15511 1 519 . 1 1 71 71 PHE HE2 H 1 7.376 0.020 . 3 . . . . . 308 F QE . 15511 1 520 . 1 1 71 71 PHE CA C 13 59.140 0.200 . 1 . . . . . 308 F CA . 15511 1 521 . 1 1 71 71 PHE CB C 13 39.731 0.200 . 1 . . . . . 308 F CB . 15511 1 522 . 1 1 71 71 PHE CE1 C 13 132.100 0.200 . 3 . . . . . 308 F CE1 . 15511 1 523 . 1 1 71 71 PHE N N 15 118.101 0.200 . 1 . . . . . 308 F N . 15511 1 524 . 1 1 72 72 ALA H H 1 7.251 0.020 . 1 . . . . . 309 A H . 15511 1 525 . 1 1 72 72 ALA HA H 1 3.658 0.020 . 1 . . . . . 309 A HA . 15511 1 526 . 1 1 72 72 ALA HB1 H 1 1.319 0.020 . 1 . . . . . 309 A HB . 15511 1 527 . 1 1 72 72 ALA HB2 H 1 1.319 0.020 . 1 . . . . . 309 A HB . 15511 1 528 . 1 1 72 72 ALA HB3 H 1 1.319 0.020 . 1 . . . . . 309 A HB . 15511 1 529 . 1 1 72 72 ALA CA C 13 48.754 0.200 . 1 . . . . . 309 A CA . 15511 1 530 . 1 1 72 72 ALA CB C 13 17.656 0.200 . 1 . . . . . 309 A CB . 15511 1 531 . 1 1 72 72 ALA N N 15 118.545 0.200 . 1 . . . . . 309 A N . 15511 1 532 . 1 1 73 73 PRO HA H 1 5.004 0.020 . 1 . . . . . 310 P HA . 15511 1 533 . 1 1 73 73 PRO HB2 H 1 1.853 0.020 . 1 . . . . . 310 P HB2 . 15511 1 534 . 1 1 73 73 PRO HD3 H 1 1.577 0.020 . 1 . . . . . 310 P HD3 . 15511 1 535 . 1 1 73 73 PRO HG2 H 1 1.317 0.020 . 1 . . . . . 310 P HG2 . 15511 1 536 . 1 1 73 73 PRO CA C 13 61.147 0.200 . 1 . . . . . 310 P CA . 15511 1 537 . 1 1 73 73 PRO CB C 13 31.365 0.200 . 1 . . . . . 310 P CB . 15511 1 538 . 1 1 73 73 PRO CD C 13 47.942 0.200 . 1 . . . . . 310 P CD . 15511 1 539 . 1 1 73 73 PRO CG C 13 26.904 0.200 . 1 . . . . . 310 P CG . 15511 1 540 . 1 1 74 74 SER H H 1 8.811 0.020 . 1 . . . . . 311 S H . 15511 1 541 . 1 1 74 74 SER N N 15 118.514 0.200 . 1 . . . . . 311 S N . 15511 1 542 . 1 1 75 75 ALA H H 1 9.255 0.020 . 1 . . . . . 312 A H . 15511 1 543 . 1 1 75 75 ALA HA H 1 4.213 0.020 . 1 . . . . . 312 A HA . 15511 1 544 . 1 1 75 75 ALA HB1 H 1 1.637 0.020 . 1 . . . . . 312 A HB . 15511 1 545 . 1 1 75 75 ALA HB2 H 1 1.637 0.020 . 1 . . . . . 312 A HB . 15511 1 546 . 1 1 75 75 ALA HB3 H 1 1.637 0.020 . 1 . . . . . 312 A HB . 15511 1 547 . 1 1 75 75 ALA CA C 13 56.234 0.200 . 1 . . . . . 312 A CA . 15511 1 548 . 1 1 75 75 ALA CB C 13 18.194 0.200 . 1 . . . . . 312 A CB . 15511 1 549 . 1 1 75 75 ALA N N 15 125.933 0.200 . 1 . . . . . 312 A N . 15511 1 550 . 1 1 76 76 SER H H 1 8.817 0.020 . 1 . . . . . 313 S H . 15511 1 551 . 1 1 76 76 SER HA H 1 4.437 0.020 . 1 . . . . . 313 S HA . 15511 1 552 . 1 1 76 76 SER HB2 H 1 3.926 0.020 . 1 . . . . . 313 S HB2 . 15511 1 553 . 1 1 76 76 SER CA C 13 61.031 0.200 . 1 . . . . . 313 S CA . 15511 1 554 . 1 1 76 76 SER CB C 13 65.132 0.200 . 1 . . . . . 313 S CB . 15511 1 555 . 1 1 76 76 SER N N 15 109.704 0.200 . 1 . . . . . 313 S N . 15511 1 556 . 1 1 77 77 ALA H H 1 8.336 0.020 . 1 . . . . . 314 A H . 15511 1 557 . 1 1 77 77 ALA HA H 1 3.031 0.020 . 1 . . . . . 314 A HA . 15511 1 558 . 1 1 77 77 ALA HB1 H 1 1.536 0.020 . 1 . . . . . 314 A HB . 15511 1 559 . 1 1 77 77 ALA HB2 H 1 1.536 0.020 . 1 . . . . . 314 A HB . 15511 1 560 . 1 1 77 77 ALA HB3 H 1 1.536 0.020 . 1 . . . . . 314 A HB . 15511 1 561 . 1 1 77 77 ALA CA C 13 54.802 0.200 . 1 . . . . . 314 A CA . 15511 1 562 . 1 1 77 77 ALA CB C 13 19.025 0.200 . 1 . . . . . 314 A CB . 15511 1 563 . 1 1 77 77 ALA N N 15 122.804 0.200 . 1 . . . . . 314 A N . 15511 1 564 . 1 1 78 78 PHE H H 1 9.610 0.020 . 1 . . . . . 315 F H . 15511 1 565 . 1 1 78 78 PHE HA H 1 3.503 0.020 . 1 . . . . . 315 F HA . 15511 1 566 . 1 1 78 78 PHE HB3 H 1 2.989 0.020 . 1 . . . . . 315 F HB3 . 15511 1 567 . 1 1 78 78 PHE HE1 H 1 5.988 0.020 . 3 . . . . . 315 F QE . 15511 1 568 . 1 1 78 78 PHE HE2 H 1 5.988 0.020 . 3 . . . . . 315 F QE . 15511 1 569 . 1 1 78 78 PHE CA C 13 62.922 0.200 . 1 . . . . . 315 F CA . 15511 1 570 . 1 1 78 78 PHE CB C 13 38.470 0.200 . 1 . . . . . 315 F CB . 15511 1 571 . 1 1 78 78 PHE CE1 C 13 130.371 0.200 . 3 . . . . . 315 F CE1 . 15511 1 572 . 1 1 78 78 PHE N N 15 122.425 0.200 . 1 . . . . . 315 F N . 15511 1 573 . 1 1 79 79 PHE H H 1 7.509 0.020 . 1 . . . . . 316 F H . 15511 1 574 . 1 1 79 79 PHE HA H 1 3.844 0.020 . 1 . . . . . 316 F HA . 15511 1 575 . 1 1 79 79 PHE HB3 H 1 3.037 0.020 . 1 . . . . . 316 F HB3 . 15511 1 576 . 1 1 79 79 PHE HE1 H 1 6.805 0.020 . 3 . . . . . 316 F QE . 15511 1 577 . 1 1 79 79 PHE HE2 H 1 6.805 0.020 . 3 . . . . . 316 F QE . 15511 1 578 . 1 1 79 79 PHE CA C 13 62.221 0.200 . 1 . . . . . 316 F CA . 15511 1 579 . 1 1 79 79 PHE CB C 13 39.089 0.200 . 1 . . . . . 316 F CB . 15511 1 580 . 1 1 79 79 PHE CE1 C 13 131.059 0.200 . 3 . . . . . 316 F CE1 . 15511 1 581 . 1 1 79 79 PHE N N 15 113.052 0.200 . 1 . . . . . 316 F N . 15511 1 582 . 1 1 80 80 GLY H H 1 8.368 0.020 . 1 . . . . . 317 G H . 15511 1 583 . 1 1 80 80 GLY HA3 H 1 4.084 0.020 . 1 . . . . . 317 G HA3 . 15511 1 584 . 1 1 80 80 GLY CA C 13 46.067 0.200 . 1 . . . . . 317 G CA . 15511 1 585 . 1 1 80 80 GLY N N 15 113.187 0.200 . 1 . . . . . 317 G N . 15511 1 586 . 1 1 81 81 MET H H 1 8.901 0.020 . 1 . . . . . 318 M H . 15511 1 587 . 1 1 81 81 MET HA H 1 4.480 0.020 . 1 . . . . . 318 M HA . 15511 1 588 . 1 1 81 81 MET HB2 H 1 2.054 0.020 . 1 . . . . . 318 M HB2 . 15511 1 589 . 1 1 81 81 MET HE1 H 1 2.090 0.020 . 1 . . . . . 318 M QE . 15511 1 590 . 1 1 81 81 MET HE2 H 1 2.090 0.020 . 1 . . . . . 318 M QE . 15511 1 591 . 1 1 81 81 MET HE3 H 1 2.090 0.020 . 1 . . . . . 318 M QE . 15511 1 592 . 1 1 81 81 MET HG2 H 1 2.497 0.020 . 1 . . . . . 318 M HG2 . 15511 1 593 . 1 1 81 81 MET CA C 13 57.132 0.200 . 1 . . . . . 318 M CA . 15511 1 594 . 1 1 81 81 MET CB C 13 34.938 0.200 . 1 . . . . . 318 M CB . 15511 1 595 . 1 1 81 81 MET CE C 13 15.845 0.200 . 1 . . . . . 318 M CE . 15511 1 596 . 1 1 81 81 MET CG C 13 30.127 0.200 . 1 . . . . . 318 M CG . 15511 1 597 . 1 1 81 81 MET N N 15 117.588 0.200 . 1 . . . . . 318 M N . 15511 1 598 . 1 1 82 82 SER H H 1 6.165 0.020 . 1 . . . . . 319 S H . 15511 1 599 . 1 1 82 82 SER HA H 1 4.506 0.020 . 1 . . . . . 319 S HA . 15511 1 600 . 1 1 82 82 SER HB2 H 1 3.596 0.020 . 1 . . . . . 319 S HB2 . 15511 1 601 . 1 1 82 82 SER CA C 13 59.084 0.200 . 1 . . . . . 319 S CA . 15511 1 602 . 1 1 82 82 SER CB C 13 63.550 0.200 . 1 . . . . . 319 S CB . 15511 1 603 . 1 1 82 82 SER N N 15 108.359 0.200 . 1 . . . . . 319 S N . 15511 1 604 . 1 1 83 83 ARG H H 1 9.314 0.020 . 1 . . . . . 320 R H . 15511 1 605 . 1 1 83 83 ARG HA H 1 4.632 0.020 . 1 . . . . . 320 R HA . 15511 1 606 . 1 1 83 83 ARG HB3 H 1 1.515 0.020 . 1 . . . . . 320 R HB3 . 15511 1 607 . 1 1 83 83 ARG HD2 H 1 3.422 0.020 . 1 . . . . . 320 R HD2 . 15511 1 608 . 1 1 83 83 ARG HG3 H 1 1.484 0.020 . 1 . . . . . 320 R HG3 . 15511 1 609 . 1 1 83 83 ARG CA C 13 55.457 0.200 . 1 . . . . . 320 R CA . 15511 1 610 . 1 1 83 83 ARG CB C 13 29.349 0.200 . 1 . . . . . 320 R CB . 15511 1 611 . 1 1 83 83 ARG CD C 13 42.009 0.200 . 1 . . . . . 320 R CD . 15511 1 612 . 1 1 83 83 ARG CG C 13 31.893 0.200 . 1 . . . . . 320 R CG . 15511 1 613 . 1 1 83 83 ARG N N 15 121.920 0.200 . 1 . . . . . 320 R N . 15511 1 614 . 1 1 84 84 ILE H H 1 9.890 0.020 . 1 . . . . . 321 I H . 15511 1 615 . 1 1 84 84 ILE HA H 1 5.184 0.020 . 1 . . . . . 321 I HA . 15511 1 616 . 1 1 84 84 ILE HB H 1 2.053 0.020 . 1 . . . . . 321 I HB . 15511 1 617 . 1 1 84 84 ILE HD11 H 1 0.195 0.020 . 1 . . . . . 321 I HD1 . 15511 1 618 . 1 1 84 84 ILE HD12 H 1 0.195 0.020 . 1 . . . . . 321 I HD1 . 15511 1 619 . 1 1 84 84 ILE HD13 H 1 0.195 0.020 . 1 . . . . . 321 I HD1 . 15511 1 620 . 1 1 84 84 ILE HG12 H 1 1.450 0.020 . 1 . . . . . 321 I HG12 . 15511 1 621 . 1 1 84 84 ILE HG21 H 1 1.125 0.020 . 1 . . . . . 321 I HG2 . 15511 1 622 . 1 1 84 84 ILE HG22 H 1 1.125 0.020 . 1 . . . . . 321 I HG2 . 15511 1 623 . 1 1 84 84 ILE HG23 H 1 1.125 0.020 . 1 . . . . . 321 I HG2 . 15511 1 624 . 1 1 84 84 ILE CA C 13 57.455 0.200 . 1 . . . . . 321 I CA . 15511 1 625 . 1 1 84 84 ILE CB C 13 38.586 0.200 . 1 . . . . . 321 I CB . 15511 1 626 . 1 1 84 84 ILE CD1 C 13 9.355 0.200 . 1 . . . . . 321 I CD1 . 15511 1 627 . 1 1 84 84 ILE CG1 C 13 25.895 0.200 . 1 . . . . . 321 I CG1 . 15511 1 628 . 1 1 84 84 ILE CG2 C 13 18.314 0.200 . 1 . . . . . 321 I CG2 . 15511 1 629 . 1 1 84 84 ILE N N 15 130.103 0.200 . 1 . . . . . 321 I N . 15511 1 630 . 1 1 85 85 GLY H H 1 8.690 0.020 . 1 . . . . . 322 G H . 15511 1 631 . 1 1 85 85 GLY HA3 H 1 4.600 0.020 . 1 . . . . . 322 G HA3 . 15511 1 632 . 1 1 85 85 GLY CA C 13 44.402 0.200 . 1 . . . . . 322 G CA . 15511 1 633 . 1 1 85 85 GLY N N 15 116.068 0.200 . 1 . . . . . 322 G N . 15511 1 634 . 1 1 86 86 MET H H 1 8.424 0.020 . 1 . . . . . 323 M H . 15511 1 635 . 1 1 86 86 MET HA H 1 5.781 0.020 . 1 . . . . . 323 M HA . 15511 1 636 . 1 1 86 86 MET HB2 H 1 1.875 0.020 . 1 . . . . . 323 M HB2 . 15511 1 637 . 1 1 86 86 MET HE1 H 1 1.845 0.020 . 1 . . . . . 323 M QE . 15511 1 638 . 1 1 86 86 MET HE2 H 1 1.845 0.020 . 1 . . . . . 323 M QE . 15511 1 639 . 1 1 86 86 MET HE3 H 1 1.845 0.020 . 1 . . . . . 323 M QE . 15511 1 640 . 1 1 86 86 MET HG2 H 1 2.356 0.020 . 1 . . . . . 323 M HG2 . 15511 1 641 . 1 1 86 86 MET CA C 13 54.536 0.200 . 1 . . . . . 323 M CA . 15511 1 642 . 1 1 86 86 MET CB C 13 36.185 0.200 . 1 . . . . . 323 M CB . 15511 1 643 . 1 1 86 86 MET CE C 13 16.980 0.200 . 1 . . . . . 323 M CE . 15511 1 644 . 1 1 86 86 MET CG C 13 31.610 0.200 . 1 . . . . . 323 M CG . 15511 1 645 . 1 1 86 86 MET N N 15 118.474 0.200 . 1 . . . . . 323 M N . 15511 1 646 . 1 1 87 87 GLU H H 1 9.463 0.020 . 1 . . . . . 324 E H . 15511 1 647 . 1 1 87 87 GLU HA H 1 4.811 0.020 . 1 . . . . . 324 E HA . 15511 1 648 . 1 1 87 87 GLU HB2 H 1 1.778 0.020 . 1 . . . . . 324 E HB2 . 15511 1 649 . 1 1 87 87 GLU HG2 H 1 2.101 0.020 . 1 . . . . . 324 E HG2 . 15511 1 650 . 1 1 87 87 GLU CA C 13 55.042 0.200 . 1 . . . . . 324 E CA . 15511 1 651 . 1 1 87 87 GLU CB C 13 32.885 0.200 . 1 . . . . . 324 E CB . 15511 1 652 . 1 1 87 87 GLU CG C 13 35.563 0.200 . 1 . . . . . 324 E CG . 15511 1 653 . 1 1 87 87 GLU N N 15 125.609 0.200 . 1 . . . . . 324 E N . 15511 1 654 . 1 1 88 88 VAL H H 1 8.748 0.020 . 1 . . . . . 325 V H . 15511 1 655 . 1 1 88 88 VAL HA H 1 4.859 0.020 . 1 . . . . . 325 V HA . 15511 1 656 . 1 1 88 88 VAL HB H 1 1.983 0.020 . 1 . . . . . 325 V HB . 15511 1 657 . 1 1 88 88 VAL HG21 H 1 1.004 0.020 . 1 . . . . . 325 V HG2 . 15511 1 658 . 1 1 88 88 VAL HG22 H 1 1.004 0.020 . 1 . . . . . 325 V HG2 . 15511 1 659 . 1 1 88 88 VAL HG23 H 1 1.004 0.020 . 1 . . . . . 325 V HG2 . 15511 1 660 . 1 1 88 88 VAL CA C 13 62.382 0.200 . 1 . . . . . 325 V CA . 15511 1 661 . 1 1 88 88 VAL CB C 13 32.635 0.200 . 1 . . . . . 325 V CB . 15511 1 662 . 1 1 88 88 VAL CG2 C 13 20.227 0.200 . 1 . . . . . 325 V CG2 . 15511 1 663 . 1 1 88 88 VAL N N 15 125.809 0.200 . 1 . . . . . 325 V N . 15511 1 664 . 1 1 89 89 THR H H 1 9.217 0.020 . 1 . . . . . 326 T H . 15511 1 665 . 1 1 89 89 THR HA H 1 5.225 0.020 . 1 . . . . . 326 T HA . 15511 1 666 . 1 1 89 89 THR HB H 1 4.744 0.020 . 1 . . . . . 326 T HB . 15511 1 667 . 1 1 89 89 THR HG21 H 1 1.127 0.020 . 1 . . . . . 326 T HG2 . 15511 1 668 . 1 1 89 89 THR HG22 H 1 1.127 0.020 . 1 . . . . . 326 T HG2 . 15511 1 669 . 1 1 89 89 THR HG23 H 1 1.127 0.020 . 1 . . . . . 326 T HG2 . 15511 1 670 . 1 1 89 89 THR CA C 13 59.191 0.200 . 1 . . . . . 326 T CA . 15511 1 671 . 1 1 89 89 THR CB C 13 69.631 0.200 . 1 . . . . . 326 T CB . 15511 1 672 . 1 1 89 89 THR CG2 C 13 21.167 0.200 . 1 . . . . . 326 T CG2 . 15511 1 673 . 1 1 89 89 THR N N 15 120.805 0.200 . 1 . . . . . 326 T N . 15511 1 674 . 1 1 90 90 PRO HA H 1 4.430 0.020 . 1 . . . . . 327 P HA . 15511 1 675 . 1 1 90 90 PRO HB2 H 1 1.907 0.020 . 1 . . . . . 327 P HB2 . 15511 1 676 . 1 1 90 90 PRO HD3 H 1 3.837 0.020 . 1 . . . . . 327 P HD3 . 15511 1 677 . 1 1 90 90 PRO HG2 H 1 2.131 0.020 . 1 . . . . . 327 P HG2 . 15511 1 678 . 1 1 90 90 PRO CA C 13 65.179 0.200 . 1 . . . . . 327 P CA . 15511 1 679 . 1 1 90 90 PRO CB C 13 31.114 0.200 . 1 . . . . . 327 P CB . 15511 1 680 . 1 1 90 90 PRO CD C 13 51.081 0.200 . 1 . . . . . 327 P CD . 15511 1 681 . 1 1 90 90 PRO CG C 13 27.860 0.200 . 1 . . . . . 327 P CG . 15511 1 682 . 1 1 91 91 SER H H 1 8.074 0.020 . 1 . . . . . 328 S H . 15511 1 683 . 1 1 91 91 SER HA H 1 4.645 0.020 . 1 . . . . . 328 S HA . 15511 1 684 . 1 1 91 91 SER HB2 H 1 3.939 0.020 . 1 . . . . . 328 S HB2 . 15511 1 685 . 1 1 91 91 SER CA C 13 57.837 0.200 . 1 . . . . . 328 S CA . 15511 1 686 . 1 1 91 91 SER CB C 13 63.894 0.200 . 1 . . . . . 328 S CB . 15511 1 687 . 1 1 91 91 SER N N 15 108.802 0.200 . 1 . . . . . 328 S N . 15511 1 688 . 1 1 92 92 GLY H H 1 7.915 0.020 . 1 . . . . . 329 G H . 15511 1 689 . 1 1 92 92 GLY HA3 H 1 3.814 0.020 . 1 . . . . . 329 G HA3 . 15511 1 690 . 1 1 92 92 GLY CA C 13 45.493 0.200 . 1 . . . . . 329 G CA . 15511 1 691 . 1 1 92 92 GLY N N 15 110.468 0.200 . 1 . . . . . 329 G N . 15511 1 692 . 1 1 93 93 THR H H 1 8.992 0.020 . 1 . . . . . 330 T H . 15511 1 693 . 1 1 93 93 THR HA H 1 5.127 0.020 . 1 . . . . . 330 T HA . 15511 1 694 . 1 1 93 93 THR HB H 1 4.039 0.020 . 1 . . . . . 330 T HB . 15511 1 695 . 1 1 93 93 THR HG21 H 1 1.198 0.020 . 1 . . . . . 330 T HG2 . 15511 1 696 . 1 1 93 93 THR HG22 H 1 1.198 0.020 . 1 . . . . . 330 T HG2 . 15511 1 697 . 1 1 93 93 THR HG23 H 1 1.198 0.020 . 1 . . . . . 330 T HG2 . 15511 1 698 . 1 1 93 93 THR CA C 13 63.378 0.200 . 1 . . . . . 330 T CA . 15511 1 699 . 1 1 93 93 THR CB C 13 70.420 0.200 . 1 . . . . . 330 T CB . 15511 1 700 . 1 1 93 93 THR CG2 C 13 21.456 0.200 . 1 . . . . . 330 T CG2 . 15511 1 701 . 1 1 93 93 THR N N 15 119.129 0.200 . 1 . . . . . 330 T N . 15511 1 702 . 1 1 94 94 TRP H H 1 9.433 0.020 . 1 . . . . . 331 W H . 15511 1 703 . 1 1 94 94 TRP HA H 1 5.114 0.020 . 1 . . . . . 331 W HA . 15511 1 704 . 1 1 94 94 TRP HD1 H 1 7.088 0.020 . 1 . . . . . 331 W HD1 . 15511 1 705 . 1 1 94 94 TRP HE1 H 1 9.441 0.020 . 1 . . . . . 331 W HE1 . 15511 1 706 . 1 1 94 94 TRP HE3 H 1 7.193 0.020 . 1 . . . . . 331 W HE3 . 15511 1 707 . 1 1 94 94 TRP HH2 H 1 7.165 0.020 . 1 . . . . . 331 W HH2 . 15511 1 708 . 1 1 94 94 TRP CA C 13 55.819 0.200 . 1 . . . . . 331 W CA . 15511 1 709 . 1 1 94 94 TRP CD1 C 13 128.449 0.200 . 1 . . . . . 331 W CD1 . 15511 1 710 . 1 1 94 94 TRP CE3 C 13 120.495 0.200 . 1 . . . . . 331 W CE3 . 15511 1 711 . 1 1 94 94 TRP CH2 C 13 124.418 0.200 . 1 . . . . . 331 W CH2 . 15511 1 712 . 1 1 94 94 TRP N N 15 125.818 0.200 . 1 . . . . . 331 W N . 15511 1 713 . 1 1 94 94 TRP NE1 N 15 128.796 0.200 . 1 . . . . . 331 W NE1 . 15511 1 714 . 1 1 95 95 LEU H H 1 9.451 0.020 . 1 . . . . . 332 L H . 15511 1 715 . 1 1 95 95 LEU HA H 1 5.280 0.020 . 1 . . . . . 332 L HA . 15511 1 716 . 1 1 95 95 LEU HB3 H 1 2.028 0.020 . 1 . . . . . 332 L HB3 . 15511 1 717 . 1 1 95 95 LEU HD11 H 1 1.030 0.020 . 1 . . . . . 332 L HD1 . 15511 1 718 . 1 1 95 95 LEU HD12 H 1 1.030 0.020 . 1 . . . . . 332 L HD1 . 15511 1 719 . 1 1 95 95 LEU HD13 H 1 1.030 0.020 . 1 . . . . . 332 L HD1 . 15511 1 720 . 1 1 95 95 LEU HG H 1 1.797 0.020 . 1 . . . . . 332 L HG . 15511 1 721 . 1 1 95 95 LEU CA C 13 54.087 0.200 . 1 . . . . . 332 L CA . 15511 1 722 . 1 1 95 95 LEU CB C 13 44.047 0.200 . 1 . . . . . 332 L CB . 15511 1 723 . 1 1 95 95 LEU CD1 C 13 26.141 0.200 . 1 . . . . . 332 L CD1 . 15511 1 724 . 1 1 95 95 LEU CG C 13 27.153 0.200 . 1 . . . . . 332 L CG . 15511 1 725 . 1 1 95 95 LEU N N 15 125.866 0.200 . 1 . . . . . 332 L N . 15511 1 726 . 1 1 96 96 THR H H 1 9.285 0.020 . 1 . . . . . 333 T H . 15511 1 727 . 1 1 96 96 THR HA H 1 4.990 0.020 . 1 . . . . . 333 T HA . 15511 1 728 . 1 1 96 96 THR HB H 1 4.294 0.020 . 1 . . . . . 333 T HB . 15511 1 729 . 1 1 96 96 THR HG21 H 1 1.060 0.020 . 1 . . . . . 333 T HG2 . 15511 1 730 . 1 1 96 96 THR HG22 H 1 1.060 0.020 . 1 . . . . . 333 T HG2 . 15511 1 731 . 1 1 96 96 THR HG23 H 1 1.060 0.020 . 1 . . . . . 333 T HG2 . 15511 1 732 . 1 1 96 96 THR CA C 13 60.414 0.200 . 1 . . . . . 333 T CA . 15511 1 733 . 1 1 96 96 THR CB C 13 70.411 0.200 . 1 . . . . . 333 T CB . 15511 1 734 . 1 1 96 96 THR CG2 C 13 21.219 0.200 . 1 . . . . . 333 T CG2 . 15511 1 735 . 1 1 96 96 THR N N 15 120.229 0.200 . 1 . . . . . 333 T N . 15511 1 736 . 1 1 97 97 TYR H H 1 8.126 0.020 . 1 . . . . . 334 Y H . 15511 1 737 . 1 1 97 97 TYR HA H 1 5.762 0.020 . 1 . . . . . 334 Y HA . 15511 1 738 . 1 1 97 97 TYR HB3 H 1 2.641 0.020 . 1 . . . . . 334 Y HB3 . 15511 1 739 . 1 1 97 97 TYR HE1 H 1 6.504 0.020 . 3 . . . . . 334 Y HE1 . 15511 1 740 . 1 1 97 97 TYR HE2 H 1 6.552 0.020 . 3 . . . . . 334 Y HE2 . 15511 1 741 . 1 1 97 97 TYR CA C 13 55.310 0.200 . 1 . . . . . 334 Y CA . 15511 1 742 . 1 1 97 97 TYR CB C 13 42.247 0.200 . 1 . . . . . 334 Y CB . 15511 1 743 . 1 1 97 97 TYR CE1 C 13 115.044 0.200 . 3 . . . . . 334 Y CE1 . 15511 1 744 . 1 1 97 97 TYR CE2 C 13 117.617 0.200 . 3 . . . . . 334 Y CE2 . 15511 1 745 . 1 1 97 97 TYR N N 15 114.966 0.200 . 1 . . . . . 334 Y N . 15511 1 746 . 1 1 98 98 HIS H H 1 8.076 0.020 . 1 . . . . . 335 H H . 15511 1 747 . 1 1 98 98 HIS HA H 1 5.109 0.020 . 1 . . . . . 335 H HA . 15511 1 748 . 1 1 98 98 HIS HB3 H 1 3.153 0.020 . 1 . . . . . 335 H HB3 . 15511 1 749 . 1 1 98 98 HIS HD2 H 1 6.992 0.020 . 1 . . . . . 335 H HD2 . 15511 1 750 . 1 1 98 98 HIS CA C 13 55.362 0.200 . 1 . . . . . 335 H CA . 15511 1 751 . 1 1 98 98 HIS CB C 13 33.223 0.200 . 1 . . . . . 335 H CB . 15511 1 752 . 1 1 98 98 HIS CD2 C 13 120.826 0.200 . 1 . . . . . 335 H CD2 . 15511 1 753 . 1 1 98 98 HIS N N 15 115.771 0.200 . 1 . . . . . 335 H N . 15511 1 754 . 1 1 99 99 GLY H H 1 7.764 0.020 . 1 . . . . . 336 G H . 15511 1 755 . 1 1 99 99 GLY HA3 H 1 3.962 0.020 . 1 . . . . . 336 G HA3 . 15511 1 756 . 1 1 99 99 GLY CA C 13 45.560 0.200 . 1 . . . . . 336 G CA . 15511 1 757 . 1 1 99 99 GLY N N 15 109.211 0.200 . 1 . . . . . 336 G N . 15511 1 758 . 1 1 100 100 ALA H H 1 8.374 0.020 . 1 . . . . . 337 A H . 15511 1 759 . 1 1 100 100 ALA HA H 1 5.364 0.020 . 1 . . . . . 337 A HA . 15511 1 760 . 1 1 100 100 ALA HB1 H 1 1.214 0.020 . 1 . . . . . 337 A HB . 15511 1 761 . 1 1 100 100 ALA HB2 H 1 1.214 0.020 . 1 . . . . . 337 A HB . 15511 1 762 . 1 1 100 100 ALA HB3 H 1 1.214 0.020 . 1 . . . . . 337 A HB . 15511 1 763 . 1 1 100 100 ALA CA C 13 51.707 0.200 . 1 . . . . . 337 A CA . 15511 1 764 . 1 1 100 100 ALA CB C 13 22.395 0.200 . 1 . . . . . 337 A CB . 15511 1 765 . 1 1 100 100 ALA N N 15 121.792 0.200 . 1 . . . . . 337 A N . 15511 1 766 . 1 1 101 101 ILE H H 1 9.810 0.020 . 1 . . . . . 338 I H . 15511 1 767 . 1 1 101 101 ILE HA H 1 4.410 0.020 . 1 . . . . . 338 I HA . 15511 1 768 . 1 1 101 101 ILE HB H 1 1.992 0.020 . 1 . . . . . 338 I HB . 15511 1 769 . 1 1 101 101 ILE HD11 H 1 0.874 0.020 . 1 . . . . . 338 I HD1 . 15511 1 770 . 1 1 101 101 ILE HD12 H 1 0.874 0.020 . 1 . . . . . 338 I HD1 . 15511 1 771 . 1 1 101 101 ILE HD13 H 1 0.874 0.020 . 1 . . . . . 338 I HD1 . 15511 1 772 . 1 1 101 101 ILE HG12 H 1 1.104 0.020 . 1 . . . . . 338 I HG12 . 15511 1 773 . 1 1 101 101 ILE HG21 H 1 0.988 0.020 . 1 . . . . . 338 I HG2 . 15511 1 774 . 1 1 101 101 ILE HG22 H 1 0.988 0.020 . 1 . . . . . 338 I HG2 . 15511 1 775 . 1 1 101 101 ILE HG23 H 1 0.988 0.020 . 1 . . . . . 338 I HG2 . 15511 1 776 . 1 1 101 101 ILE CA C 13 60.560 0.200 . 1 . . . . . 338 I CA . 15511 1 777 . 1 1 101 101 ILE CB C 13 42.265 0.200 . 1 . . . . . 338 I CB . 15511 1 778 . 1 1 101 101 ILE CD1 C 13 13.847 0.200 . 1 . . . . . 338 I CD1 . 15511 1 779 . 1 1 101 101 ILE CG1 C 13 28.405 0.200 . 1 . . . . . 338 I CG1 . 15511 1 780 . 1 1 101 101 ILE CG2 C 13 16.929 0.200 . 1 . . . . . 338 I CG2 . 15511 1 781 . 1 1 101 101 ILE N N 15 123.548 0.200 . 1 . . . . . 338 I N . 15511 1 782 . 1 1 102 102 LYS H H 1 8.867 0.020 . 1 . . . . . 339 K H . 15511 1 783 . 1 1 102 102 LYS HA H 1 3.615 0.020 . 1 . . . . . 339 K HA . 15511 1 784 . 1 1 102 102 LYS HB3 H 1 1.326 0.020 . 1 . . . . . 339 K HB3 . 15511 1 785 . 1 1 102 102 LYS HD3 H 1 1.161 0.020 . 1 . . . . . 339 K HD3 . 15511 1 786 . 1 1 102 102 LYS HE2 H 1 2.727 0.020 . 1 . . . . . 339 K HE2 . 15511 1 787 . 1 1 102 102 LYS HG3 H 1 -0.184 0.020 . 1 . . . . . 339 K HG3 . 15511 1 788 . 1 1 102 102 LYS CA C 13 57.040 0.200 . 1 . . . . . 339 K CA . 15511 1 789 . 1 1 102 102 LYS CB C 13 32.413 0.200 . 1 . . . . . 339 K CB . 15511 1 790 . 1 1 102 102 LYS CD C 13 28.347 0.200 . 1 . . . . . 339 K CD . 15511 1 791 . 1 1 102 102 LYS CE C 13 42.204 0.200 . 1 . . . . . 339 K CE . 15511 1 792 . 1 1 102 102 LYS CG C 13 24.432 0.200 . 1 . . . . . 339 K CG . 15511 1 793 . 1 1 102 102 LYS N N 15 131.100 0.200 . 1 . . . . . 339 K N . 15511 1 794 . 1 1 103 103 LEU H H 1 8.696 0.020 . 1 . . . . . 340 L H . 15511 1 795 . 1 1 103 103 LEU HA H 1 4.367 0.020 . 1 . . . . . 340 L HA . 15511 1 796 . 1 1 103 103 LEU HB3 H 1 1.625 0.020 . 1 . . . . . 340 L HB3 . 15511 1 797 . 1 1 103 103 LEU HD11 H 1 0.497 0.020 . 1 . . . . . 340 L HD1 . 15511 1 798 . 1 1 103 103 LEU HD12 H 1 0.497 0.020 . 1 . . . . . 340 L HD1 . 15511 1 799 . 1 1 103 103 LEU HD13 H 1 0.497 0.020 . 1 . . . . . 340 L HD1 . 15511 1 800 . 1 1 103 103 LEU HG H 1 1.637 0.020 . 1 . . . . . 340 L HG . 15511 1 801 . 1 1 103 103 LEU CA C 13 56.067 0.200 . 1 . . . . . 340 L CA . 15511 1 802 . 1 1 103 103 LEU CB C 13 41.790 0.200 . 1 . . . . . 340 L CB . 15511 1 803 . 1 1 103 103 LEU CD1 C 13 24.122 0.200 . 1 . . . . . 340 L CD1 . 15511 1 804 . 1 1 103 103 LEU CG C 13 29.868 0.200 . 1 . . . . . 340 L CG . 15511 1 805 . 1 1 103 103 LEU N N 15 130.423 0.200 . 1 . . . . . 340 L N . 15511 1 806 . 1 1 104 104 ASP H H 1 8.813 0.020 . 1 . . . . . 341 D H . 15511 1 807 . 1 1 104 104 ASP HA H 1 4.455 0.020 . 1 . . . . . 341 D HA . 15511 1 808 . 1 1 104 104 ASP HB2 H 1 2.710 0.020 . 1 . . . . . 341 D HB2 . 15511 1 809 . 1 1 104 104 ASP CA C 13 54.052 0.200 . 1 . . . . . 341 D CA . 15511 1 810 . 1 1 104 104 ASP CB C 13 40.750 0.200 . 1 . . . . . 341 D CB . 15511 1 811 . 1 1 104 104 ASP N N 15 121.358 0.200 . 1 . . . . . 341 D N . 15511 1 812 . 1 1 105 105 ASP H H 1 7.957 0.020 . 1 . . . . . 342 D H . 15511 1 813 . 1 1 105 105 ASP HA H 1 3.096 0.020 . 1 . . . . . 342 D HA . 15511 1 814 . 1 1 105 105 ASP HB2 H 1 2.081 0.020 . 1 . . . . . 342 D HB2 . 15511 1 815 . 1 1 105 105 ASP CA C 13 54.154 0.200 . 1 . . . . . 342 D CA . 15511 1 816 . 1 1 105 105 ASP CB C 13 39.108 0.200 . 1 . . . . . 342 D CB . 15511 1 817 . 1 1 105 105 ASP N N 15 126.107 0.200 . 1 . . . . . 342 D N . 15511 1 818 . 1 1 106 106 LYS H H 1 8.194 0.020 . 1 . . . . . 343 K H . 15511 1 819 . 1 1 106 106 LYS HA H 1 4.226 0.020 . 1 . . . . . 343 K HA . 15511 1 820 . 1 1 106 106 LYS HB3 H 1 1.835 0.020 . 1 . . . . . 343 K HB3 . 15511 1 821 . 1 1 106 106 LYS HD3 H 1 1.546 0.020 . 1 . . . . . 343 K HD3 . 15511 1 822 . 1 1 106 106 LYS HE2 H 1 2.922 0.020 . 1 . . . . . 343 K HE2 . 15511 1 823 . 1 1 106 106 LYS HG3 H 1 1.375 0.020 . 1 . . . . . 343 K HG3 . 15511 1 824 . 1 1 106 106 LYS CA C 13 55.376 0.200 . 1 . . . . . 343 K CA . 15511 1 825 . 1 1 106 106 LYS CB C 13 31.303 0.200 . 1 . . . . . 343 K CB . 15511 1 826 . 1 1 106 106 LYS CD C 13 27.760 0.200 . 1 . . . . . 343 K CD . 15511 1 827 . 1 1 106 106 LYS CG C 13 24.355 0.200 . 1 . . . . . 343 K CG . 15511 1 828 . 1 1 106 106 LYS N N 15 118.243 0.200 . 1 . . . . . 343 K N . 15511 1 829 . 1 1 107 107 ASP H H 1 7.016 0.020 . 1 . . . . . 344 D H . 15511 1 830 . 1 1 107 107 ASP HA H 1 4.691 0.020 . 1 . . . . . 344 D HA . 15511 1 831 . 1 1 107 107 ASP HB2 H 1 2.624 0.020 . 1 . . . . . 344 D HB2 . 15511 1 832 . 1 1 107 107 ASP CA C 13 52.119 0.200 . 1 . . . . . 344 D CA . 15511 1 833 . 1 1 107 107 ASP CB C 13 42.866 0.200 . 1 . . . . . 344 D CB . 15511 1 834 . 1 1 107 107 ASP N N 15 123.505 0.200 . 1 . . . . . 344 D N . 15511 1 835 . 1 1 108 108 PRO HA H 1 4.423 0.020 . 1 . . . . . 345 P HA . 15511 1 836 . 1 1 108 108 PRO HB2 H 1 1.984 0.020 . 1 . . . . . 345 P HB2 . 15511 1 837 . 1 1 108 108 PRO HD3 H 1 3.914 0.020 . 1 . . . . . 345 P HD3 . 15511 1 838 . 1 1 108 108 PRO HG2 H 1 2.053 0.020 . 1 . . . . . 345 P HG2 . 15511 1 839 . 1 1 108 108 PRO CA C 13 65.183 0.200 . 1 . . . . . 345 P CA . 15511 1 840 . 1 1 108 108 PRO CB C 13 31.979 0.200 . 1 . . . . . 345 P CB . 15511 1 841 . 1 1 108 108 PRO CD C 13 51.146 0.200 . 1 . . . . . 345 P CD . 15511 1 842 . 1 1 108 108 PRO CG C 13 27.143 0.200 . 1 . . . . . 345 P CG . 15511 1 843 . 1 1 109 109 GLN H H 1 9.026 0.020 . 1 . . . . . 346 Q H . 15511 1 844 . 1 1 109 109 GLN HA H 1 4.533 0.020 . 1 . . . . . 346 Q HA . 15511 1 845 . 1 1 109 109 GLN HB2 H 1 1.958 0.020 . 1 . . . . . 346 Q HB2 . 15511 1 846 . 1 1 109 109 GLN HE21 H 1 6.795 0.020 . 2 . . . . . 346 Q HE21 . 15511 1 847 . 1 1 109 109 GLN HE22 H 1 7.641 0.020 . 2 . . . . . 346 Q HE22 . 15511 1 848 . 1 1 109 109 GLN HG2 H 1 2.416 0.020 . 1 . . . . . 346 Q HG2 . 15511 1 849 . 1 1 109 109 GLN CA C 13 55.610 0.200 . 1 . . . . . 346 Q CA . 15511 1 850 . 1 1 109 109 GLN CB C 13 29.290 0.200 . 1 . . . . . 346 Q CB . 15511 1 851 . 1 1 109 109 GLN CG C 13 35.079 0.200 . 1 . . . . . 346 Q CG . 15511 1 852 . 1 1 109 109 GLN N N 15 117.325 0.200 . 1 . . . . . 346 Q N . 15511 1 853 . 1 1 109 109 GLN NE2 N 15 111.986 0.200 . 1 . . . . . 346 Q NE2 . 15511 1 854 . 1 1 110 110 PHE H H 1 8.316 0.020 . 1 . . . . . 347 F H . 15511 1 855 . 1 1 110 110 PHE HA H 1 4.341 0.020 . 1 . . . . . 347 F HA . 15511 1 856 . 1 1 110 110 PHE HB3 H 1 2.936 0.020 . 1 . . . . . 347 F HB3 . 15511 1 857 . 1 1 110 110 PHE HE1 H 1 7.153 0.020 . 3 . . . . . 347 F QE . 15511 1 858 . 1 1 110 110 PHE HE2 H 1 7.153 0.020 . 3 . . . . . 347 F QE . 15511 1 859 . 1 1 110 110 PHE CA C 13 62.187 0.200 . 1 . . . . . 347 F CA . 15511 1 860 . 1 1 110 110 PHE CB C 13 39.210 0.200 . 1 . . . . . 347 F CB . 15511 1 861 . 1 1 110 110 PHE CE1 C 13 131.055 0.200 . 3 . . . . . 347 F CE1 . 15511 1 862 . 1 1 110 110 PHE N N 15 121.305 0.200 . 1 . . . . . 347 F N . 15511 1 863 . 1 1 111 111 LYS H H 1 8.547 0.020 . 1 . . . . . 348 K H . 15511 1 864 . 1 1 111 111 LYS HA H 1 3.474 0.020 . 1 . . . . . 348 K HA . 15511 1 865 . 1 1 111 111 LYS HB3 H 1 1.716 0.020 . 1 . . . . . 348 K HB3 . 15511 1 866 . 1 1 111 111 LYS HE2 H 1 2.562 0.020 . 1 . . . . . 348 K HE2 . 15511 1 867 . 1 1 111 111 LYS HG3 H 1 1.555 0.020 . 1 . . . . . 348 K HG3 . 15511 1 868 . 1 1 111 111 LYS CA C 13 59.993 0.200 . 1 . . . . . 348 K CA . 15511 1 869 . 1 1 111 111 LYS CB C 13 31.207 0.200 . 1 . . . . . 348 K CB . 15511 1 870 . 1 1 111 111 LYS CE C 13 40.838 0.200 . 1 . . . . . 348 K CE . 15511 1 871 . 1 1 111 111 LYS CG C 13 24.820 0.200 . 1 . . . . . 348 K CG . 15511 1 872 . 1 1 111 111 LYS N N 15 116.955 0.200 . 1 . . . . . 348 K N . 15511 1 873 . 1 1 112 112 ASP H H 1 7.666 0.020 . 1 . . . . . 349 D H . 15511 1 874 . 1 1 112 112 ASP HA H 1 4.287 0.020 . 1 . . . . . 349 D HA . 15511 1 875 . 1 1 112 112 ASP HB2 H 1 2.565 0.020 . 1 . . . . . 349 D HB2 . 15511 1 876 . 1 1 112 112 ASP CA C 13 57.244 0.200 . 1 . . . . . 349 D CA . 15511 1 877 . 1 1 112 112 ASP CB C 13 40.890 0.200 . 1 . . . . . 349 D CB . 15511 1 878 . 1 1 112 112 ASP N N 15 118.370 0.200 . 1 . . . . . 349 D N . 15511 1 879 . 1 1 113 113 ASN H H 1 8.720 0.020 . 1 . . . . . 350 N H . 15511 1 880 . 1 1 113 113 ASN HA H 1 4.354 0.020 . 1 . . . . . 350 N HA . 15511 1 881 . 1 1 113 113 ASN HB2 H 1 3.152 0.020 . 1 . . . . . 350 N HB2 . 15511 1 882 . 1 1 113 113 ASN HD21 H 1 7.165 0.020 . 2 . . . . . 350 N HD21 . 15511 1 883 . 1 1 113 113 ASN HD22 H 1 7.348 0.020 . 2 . . . . . 350 N HD22 . 15511 1 884 . 1 1 113 113 ASN CA C 13 56.167 0.200 . 1 . . . . . 350 N CA . 15511 1 885 . 1 1 113 113 ASN CB C 13 37.521 0.200 . 1 . . . . . 350 N CB . 15511 1 886 . 1 1 113 113 ASN N N 15 120.267 0.200 . 1 . . . . . 350 N N . 15511 1 887 . 1 1 113 113 ASN ND2 N 15 110.323 0.200 . 1 . . . . . 350 N ND2 . 15511 1 888 . 1 1 114 114 VAL H H 1 7.934 0.020 . 1 . . . . . 351 V H . 15511 1 889 . 1 1 114 114 VAL HA H 1 3.164 0.020 . 1 . . . . . 351 V HA . 15511 1 890 . 1 1 114 114 VAL HB H 1 1.698 0.020 . 1 . . . . . 351 V HB . 15511 1 891 . 1 1 114 114 VAL HG21 H 1 0.255 0.020 . 1 . . . . . 351 V HG2 . 15511 1 892 . 1 1 114 114 VAL HG22 H 1 0.255 0.020 . 1 . . . . . 351 V HG2 . 15511 1 893 . 1 1 114 114 VAL HG23 H 1 0.255 0.020 . 1 . . . . . 351 V HG2 . 15511 1 894 . 1 1 114 114 VAL CA C 13 67.581 0.200 . 1 . . . . . 351 V CA . 15511 1 895 . 1 1 114 114 VAL CB C 13 31.509 0.200 . 1 . . . . . 351 V CB . 15511 1 896 . 1 1 114 114 VAL CG2 C 13 22.854 0.200 . 1 . . . . . 351 V CG2 . 15511 1 897 . 1 1 114 114 VAL N N 15 120.540 0.200 . 1 . . . . . 351 V N . 15511 1 898 . 1 1 115 115 ILE H H 1 7.624 0.020 . 1 . . . . . 352 I H . 15511 1 899 . 1 1 115 115 ILE HA H 1 3.563 0.020 . 1 . . . . . 352 I HA . 15511 1 900 . 1 1 115 115 ILE HB H 1 1.739 0.020 . 1 . . . . . 352 I HB . 15511 1 901 . 1 1 115 115 ILE HD11 H 1 0.753 0.020 . 1 . . . . . 352 I HD1 . 15511 1 902 . 1 1 115 115 ILE HD12 H 1 0.753 0.020 . 1 . . . . . 352 I HD1 . 15511 1 903 . 1 1 115 115 ILE HD13 H 1 0.753 0.020 . 1 . . . . . 352 I HD1 . 15511 1 904 . 1 1 115 115 ILE HG12 H 1 1.003 0.020 . 1 . . . . . 352 I HG12 . 15511 1 905 . 1 1 115 115 ILE HG21 H 1 0.797 0.020 . 1 . . . . . 352 I HG2 . 15511 1 906 . 1 1 115 115 ILE HG22 H 1 0.797 0.020 . 1 . . . . . 352 I HG2 . 15511 1 907 . 1 1 115 115 ILE HG23 H 1 0.797 0.020 . 1 . . . . . 352 I HG2 . 15511 1 908 . 1 1 115 115 ILE CA C 13 65.315 0.200 . 1 . . . . . 352 I CA . 15511 1 909 . 1 1 115 115 ILE CB C 13 38.191 0.200 . 1 . . . . . 352 I CB . 15511 1 910 . 1 1 115 115 ILE CD1 C 13 12.796 0.200 . 1 . . . . . 352 I CD1 . 15511 1 911 . 1 1 115 115 ILE CG1 C 13 29.316 0.200 . 1 . . . . . 352 I CG1 . 15511 1 912 . 1 1 115 115 ILE CG2 C 13 16.518 0.200 . 1 . . . . . 352 I CG2 . 15511 1 913 . 1 1 115 115 ILE N N 15 119.363 0.200 . 1 . . . . . 352 I N . 15511 1 914 . 1 1 116 116 LEU H H 1 8.016 0.020 . 1 . . . . . 353 L H . 15511 1 915 . 1 1 116 116 LEU HA H 1 4.053 0.020 . 1 . . . . . 353 L HA . 15511 1 916 . 1 1 116 116 LEU HB3 H 1 1.955 0.020 . 1 . . . . . 353 L HB3 . 15511 1 917 . 1 1 116 116 LEU HD11 H 1 1.051 0.020 . 1 . . . . . 353 L HD1 . 15511 1 918 . 1 1 116 116 LEU HD12 H 1 1.051 0.020 . 1 . . . . . 353 L HD1 . 15511 1 919 . 1 1 116 116 LEU HD13 H 1 1.051 0.020 . 1 . . . . . 353 L HD1 . 15511 1 920 . 1 1 116 116 LEU HG H 1 1.479 0.020 . 1 . . . . . 353 L HG . 15511 1 921 . 1 1 116 116 LEU CA C 13 58.100 0.200 . 1 . . . . . 353 L CA . 15511 1 922 . 1 1 116 116 LEU CB C 13 41.351 0.200 . 1 . . . . . 353 L CB . 15511 1 923 . 1 1 116 116 LEU CD1 C 13 22.655 0.200 . 1 . . . . . 353 L CD1 . 15511 1 924 . 1 1 116 116 LEU CG C 13 27.256 0.200 . 1 . . . . . 353 L CG . 15511 1 925 . 1 1 116 116 LEU N N 15 120.681 0.200 . 1 . . . . . 353 L N . 15511 1 926 . 1 1 117 117 LEU H H 1 8.383 0.020 . 1 . . . . . 354 L H . 15511 1 927 . 1 1 117 117 LEU HA H 1 4.074 0.020 . 1 . . . . . 354 L HA . 15511 1 928 . 1 1 117 117 LEU HB3 H 1 1.260 0.020 . 1 . . . . . 354 L HB3 . 15511 1 929 . 1 1 117 117 LEU HD11 H 1 0.476 0.020 . 1 . . . . . 354 L HD1 . 15511 1 930 . 1 1 117 117 LEU HD12 H 1 0.476 0.020 . 1 . . . . . 354 L HD1 . 15511 1 931 . 1 1 117 117 LEU HD13 H 1 0.476 0.020 . 1 . . . . . 354 L HD1 . 15511 1 932 . 1 1 117 117 LEU HG H 1 1.899 0.020 . 1 . . . . . 354 L HG . 15511 1 933 . 1 1 117 117 LEU CA C 13 59.003 0.200 . 1 . . . . . 354 L CA . 15511 1 934 . 1 1 117 117 LEU CB C 13 41.794 0.200 . 1 . . . . . 354 L CB . 15511 1 935 . 1 1 117 117 LEU CD1 C 13 25.329 0.200 . 1 . . . . . 354 L CD1 . 15511 1 936 . 1 1 117 117 LEU CG C 13 27.073 0.200 . 1 . . . . . 354 L CG . 15511 1 937 . 1 1 117 117 LEU N N 15 117.312 0.200 . 1 . . . . . 354 L N . 15511 1 938 . 1 1 118 118 ASN H H 1 8.293 0.020 . 1 . . . . . 355 N H . 15511 1 939 . 1 1 118 118 ASN HA H 1 4.425 0.020 . 1 . . . . . 355 N HA . 15511 1 940 . 1 1 118 118 ASN HB2 H 1 2.807 0.020 . 1 . . . . . 355 N HB2 . 15511 1 941 . 1 1 118 118 ASN HD21 H 1 6.593 0.020 . 2 . . . . . 355 N HD21 . 15511 1 942 . 1 1 118 118 ASN HD22 H 1 7.188 0.020 . 2 . . . . . 355 N HD22 . 15511 1 943 . 1 1 118 118 ASN CA C 13 56.134 0.200 . 1 . . . . . 355 N CA . 15511 1 944 . 1 1 118 118 ASN CB C 13 38.356 0.200 . 1 . . . . . 355 N CB . 15511 1 945 . 1 1 118 118 ASN N N 15 115.317 0.200 . 1 . . . . . 355 N N . 15511 1 946 . 1 1 118 118 ASN ND2 N 15 110.991 0.200 . 1 . . . . . 355 N ND2 . 15511 1 947 . 1 1 119 119 LYS H H 1 7.678 0.020 . 1 . . . . . 356 K H . 15511 1 948 . 1 1 119 119 LYS HA H 1 3.878 0.020 . 1 . . . . . 356 K HA . 15511 1 949 . 1 1 119 119 LYS HB3 H 1 1.692 0.020 . 1 . . . . . 356 K HB3 . 15511 1 950 . 1 1 119 119 LYS HD3 H 1 1.484 0.020 . 1 . . . . . 356 K HD3 . 15511 1 951 . 1 1 119 119 LYS HE2 H 1 2.899 0.020 . 1 . . . . . 356 K HE2 . 15511 1 952 . 1 1 119 119 LYS HG3 H 1 1.173 0.020 . 1 . . . . . 356 K HG3 . 15511 1 953 . 1 1 119 119 LYS CA C 13 58.513 0.200 . 1 . . . . . 356 K CA . 15511 1 954 . 1 1 119 119 LYS CB C 13 31.819 0.200 . 1 . . . . . 356 K CB . 15511 1 955 . 1 1 119 119 LYS CD C 13 28.858 0.200 . 1 . . . . . 356 K CD . 15511 1 956 . 1 1 119 119 LYS CE C 13 41.705 0.200 . 1 . . . . . 356 K CE . 15511 1 957 . 1 1 119 119 LYS CG C 13 23.942 0.200 . 1 . . . . . 356 K CG . 15511 1 958 . 1 1 119 119 LYS N N 15 119.079 0.200 . 1 . . . . . 356 K N . 15511 1 959 . 1 1 120 120 HIS H H 1 6.824 0.020 . 1 . . . . . 357 H H . 15511 1 960 . 1 1 120 120 HIS HA H 1 4.142 0.020 . 1 . . . . . 357 H HA . 15511 1 961 . 1 1 120 120 HIS HB3 H 1 1.140 0.020 . 1 . . . . . 357 H HB3 . 15511 1 962 . 1 1 120 120 HIS HD2 H 1 7.399 0.020 . 1 . . . . . 357 H HD2 . 15511 1 963 . 1 1 120 120 HIS HE1 H 1 7.515 0.020 . 1 . . . . . 357 H HE1 . 15511 1 964 . 1 1 120 120 HIS HE2 H 1 10.375 0.020 . 1 . . . . . 357 H HE2 . 15511 1 965 . 1 1 120 120 HIS CA C 13 57.639 0.200 . 1 . . . . . 357 H CA . 15511 1 966 . 1 1 120 120 HIS CB C 13 32.739 0.200 . 1 . . . . . 357 H CB . 15511 1 967 . 1 1 120 120 HIS CD2 C 13 118.148 0.200 . 1 . . . . . 357 H CD2 . 15511 1 968 . 1 1 120 120 HIS CE1 C 13 141.348 0.200 . 1 . . . . . 357 H CE1 . 15511 1 969 . 1 1 120 120 HIS N N 15 113.177 0.200 . 1 . . . . . 357 H N . 15511 1 970 . 1 1 121 121 ILE H H 1 7.728 0.020 . 1 . . . . . 358 I H . 15511 1 971 . 1 1 121 121 ILE HA H 1 3.516 0.020 . 1 . . . . . 358 I HA . 15511 1 972 . 1 1 121 121 ILE HB H 1 1.851 0.020 . 1 . . . . . 358 I HB . 15511 1 973 . 1 1 121 121 ILE HD11 H 1 0.859 0.020 . 1 . . . . . 358 I HD1 . 15511 1 974 . 1 1 121 121 ILE HD12 H 1 0.859 0.020 . 1 . . . . . 358 I HD1 . 15511 1 975 . 1 1 121 121 ILE HD13 H 1 0.859 0.020 . 1 . . . . . 358 I HD1 . 15511 1 976 . 1 1 121 121 ILE HG21 H 1 0.960 0.020 . 1 . . . . . 358 I HG2 . 15511 1 977 . 1 1 121 121 ILE HG22 H 1 0.960 0.020 . 1 . . . . . 358 I HG2 . 15511 1 978 . 1 1 121 121 ILE HG23 H 1 0.960 0.020 . 1 . . . . . 358 I HG2 . 15511 1 979 . 1 1 121 121 ILE CA C 13 65.265 0.200 . 1 . . . . . 358 I CA . 15511 1 980 . 1 1 121 121 ILE CB C 13 38.493 0.200 . 1 . . . . . 358 I CB . 15511 1 981 . 1 1 121 121 ILE CD1 C 13 14.191 0.200 . 1 . . . . . 358 I CD1 . 15511 1 982 . 1 1 121 121 ILE CG2 C 13 17.084 0.200 . 1 . . . . . 358 I CG2 . 15511 1 983 . 1 1 121 121 ILE N N 15 125.983 0.200 . 1 . . . . . 358 I N . 15511 1 984 . 1 1 122 122 ASP H H 1 8.187 0.020 . 1 . . . . . 359 D H . 15511 1 985 . 1 1 122 122 ASP HA H 1 4.099 0.020 . 1 . . . . . 359 D HA . 15511 1 986 . 1 1 122 122 ASP HB2 H 1 2.865 0.020 . 1 . . . . . 359 D HB2 . 15511 1 987 . 1 1 122 122 ASP CA C 13 57.045 0.200 . 1 . . . . . 359 D CA . 15511 1 988 . 1 1 122 122 ASP CB C 13 38.012 0.200 . 1 . . . . . 359 D CB . 15511 1 989 . 1 1 122 122 ASP N N 15 122.977 0.200 . 1 . . . . . 359 D N . 15511 1 990 . 1 1 123 123 ALA H H 1 7.176 0.020 . 1 . . . . . 360 A H . 15511 1 991 . 1 1 123 123 ALA HA H 1 3.816 0.020 . 1 . . . . . 360 A HA . 15511 1 992 . 1 1 123 123 ALA HB1 H 1 1.463 0.020 . 1 . . . . . 360 A HB . 15511 1 993 . 1 1 123 123 ALA HB2 H 1 1.463 0.020 . 1 . . . . . 360 A HB . 15511 1 994 . 1 1 123 123 ALA HB3 H 1 1.463 0.020 . 1 . . . . . 360 A HB . 15511 1 995 . 1 1 123 123 ALA CA C 13 55.247 0.200 . 1 . . . . . 360 A CA . 15511 1 996 . 1 1 123 123 ALA CB C 13 16.993 0.200 . 1 . . . . . 360 A CB . 15511 1 997 . 1 1 123 123 ALA N N 15 124.542 0.200 . 1 . . . . . 360 A N . 15511 1 998 . 1 1 124 124 TYR H H 1 8.605 0.020 . 1 . . . . . 361 Y H . 15511 1 999 . 1 1 124 124 TYR HA H 1 1.631 0.020 . 1 . . . . . 361 Y HA . 15511 1 1000 . 1 1 124 124 TYR HB3 H 1 2.450 0.020 . 1 . . . . . 361 Y HB3 . 15511 1 1001 . 1 1 124 124 TYR HE1 H 1 6.800 0.020 . 3 . . . . . 361 Y QE . 15511 1 1002 . 1 1 124 124 TYR HE2 H 1 6.800 0.020 . 3 . . . . . 361 Y QE . 15511 1 1003 . 1 1 124 124 TYR CA C 13 57.665 0.200 . 1 . . . . . 361 Y CA . 15511 1 1004 . 1 1 124 124 TYR CB C 13 36.072 0.200 . 1 . . . . . 361 Y CB . 15511 1 1005 . 1 1 124 124 TYR CE1 C 13 117.698 0.200 . 3 . . . . . 361 Y CE1 . 15511 1 1006 . 1 1 124 124 TYR N N 15 114.857 0.200 . 1 . . . . . 361 Y N . 15511 1 1007 . 1 1 125 125 LYS H H 1 6.199 0.020 . 1 . . . . . 362 K H . 15511 1 1008 . 1 1 125 125 LYS HA H 1 3.520 0.020 . 1 . . . . . 362 K HA . 15511 1 1009 . 1 1 125 125 LYS HB3 H 1 1.615 0.020 . 1 . . . . . 362 K HB3 . 15511 1 1010 . 1 1 125 125 LYS HD3 H 1 1.453 0.020 . 1 . . . . . 362 K HD3 . 15511 1 1011 . 1 1 125 125 LYS HE2 H 1 2.827 0.020 . 1 . . . . . 362 K HE2 . 15511 1 1012 . 1 1 125 125 LYS HG3 H 1 0.424 0.020 . 1 . . . . . 362 K HG3 . 15511 1 1013 . 1 1 125 125 LYS CA C 13 58.464 0.200 . 1 . . . . . 362 K CA . 15511 1 1014 . 1 1 125 125 LYS CB C 13 32.371 0.200 . 1 . . . . . 362 K CB . 15511 1 1015 . 1 1 125 125 LYS CD C 13 29.061 0.200 . 1 . . . . . 362 K CD . 15511 1 1016 . 1 1 125 125 LYS CE C 13 41.591 0.200 . 1 . . . . . 362 K CE . 15511 1 1017 . 1 1 125 125 LYS CG C 13 25.480 0.200 . 1 . . . . . 362 K CG . 15511 1 1018 . 1 1 125 125 LYS N N 15 120.912 0.200 . 1 . . . . . 362 K N . 15511 1 1019 . 1 1 126 126 THR H H 1 7.748 0.020 . 1 . . . . . 363 T H . 15511 1 1020 . 1 1 126 126 THR HA H 1 4.414 0.020 . 1 . . . . . 363 T HA . 15511 1 1021 . 1 1 126 126 THR HB H 1 4.471 0.020 . 1 . . . . . 363 T HB . 15511 1 1022 . 1 1 126 126 THR HG21 H 1 1.024 0.020 . 1 . . . . . 363 T HG2 . 15511 1 1023 . 1 1 126 126 THR HG22 H 1 1.024 0.020 . 1 . . . . . 363 T HG2 . 15511 1 1024 . 1 1 126 126 THR HG23 H 1 1.024 0.020 . 1 . . . . . 363 T HG2 . 15511 1 1025 . 1 1 126 126 THR CA C 13 61.027 0.200 . 1 . . . . . 363 T CA . 15511 1 1026 . 1 1 126 126 THR CB C 13 69.682 0.200 . 1 . . . . . 363 T CB . 15511 1 1027 . 1 1 126 126 THR CG2 C 13 20.956 0.200 . 1 . . . . . 363 T CG2 . 15511 1 1028 . 1 1 126 126 THR N N 15 106.785 0.200 . 1 . . . . . 363 T N . 15511 1 1029 . 1 1 127 127 PHE H H 1 7.202 0.020 . 1 . . . . . 364 F H . 15511 1 1030 . 1 1 127 127 PHE HA H 1 4.985 0.020 . 1 . . . . . 364 F HA . 15511 1 1031 . 1 1 127 127 PHE HB3 H 1 3.353 0.020 . 1 . . . . . 364 F HB3 . 15511 1 1032 . 1 1 127 127 PHE HE1 H 1 7.248 0.020 . 3 . . . . . 364 F QE . 15511 1 1033 . 1 1 127 127 PHE HE2 H 1 7.248 0.020 . 3 . . . . . 364 F QE . 15511 1 1034 . 1 1 127 127 PHE CA C 13 53.327 0.200 . 1 . . . . . 364 F CA . 15511 1 1035 . 1 1 127 127 PHE CB C 13 35.691 0.200 . 1 . . . . . 364 F CB . 15511 1 1036 . 1 1 127 127 PHE CE1 C 13 131.387 0.200 . 3 . . . . . 364 F CE1 . 15511 1 1037 . 1 1 127 127 PHE N N 15 122.977 0.200 . 1 . . . . . 364 F N . 15511 1 1038 . 1 1 128 128 PRO HA H 1 4.296 0.020 . 1 . . . . . 365 P HA . 15511 1 1039 . 1 1 128 128 PRO HB2 H 1 1.894 0.020 . 1 . . . . . 365 P HB2 . 15511 1 1040 . 1 1 128 128 PRO HD3 H 1 3.559 0.020 . 1 . . . . . 365 P HD3 . 15511 1 1041 . 1 1 128 128 PRO HG2 H 1 1.970 0.020 . 1 . . . . . 365 P HG2 . 15511 1 1042 . 1 1 128 128 PRO CA C 13 65.004 0.200 . 1 . . . . . 365 P CA . 15511 1 1043 . 1 1 128 128 PRO CB C 13 31.787 0.200 . 1 . . . . . 365 P CB . 15511 1 1044 . 1 1 128 128 PRO CD C 13 50.077 0.200 . 1 . . . . . 365 P CD . 15511 1 1045 . 1 1 128 128 PRO CG C 13 26.966 0.200 . 1 . . . . . 365 P CG . 15511 1 stop_ save_