data_30691 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30691 _Entry.Title ; NMR Structure of C-terminal Domain of phi29 ATPase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-21 _Entry.Accession_date 2019-11-21 _Entry.Last_release_date 2019-11-26 _Entry.Original_release_date 2019-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30691 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Mahler B. . . . 30691 2 H. Mao H. . . . 30691 3 M. Morais M. C. . . 30691 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNase H fold' . 30691 'VIRAL PROTEIN' . 30691 terminase . 30691 'viral packaging motor' . 30691 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30691 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 30691 '15N chemical shifts' 103 30691 '1H chemical shifts' 641 30691 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 . . 2021-10-10 2019-11-21 update BMRB 'update entry citation' 30691 1 . . 2020-09-28 2019-11-21 original author 'original release' 30691 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6V1W . 30691 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30691 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33962953 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A viral genome packaging motor transitions between cyclic and helical symmetry to translocate dsDNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 7 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eabc1955 _Citation.Page_last eabc1955 _Citation.Year 2021 _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 Michael Woodson M. . . . 30691 1 2 Joshua Pajak J. . . . 30691 1 3 Bryon Mahler B. P. . . 30691 1 4 Wei Zhao W. . . . 30691 1 5 Wei Zhang W. . . . 30691 1 6 Gaurav Arya G. . . . 30691 1 7 Mark White M. A. . . 30691 1 8 Paul Jardine P. J. . . 30691 1 9 Marc Morais M. C. . . 30691 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30691 _Assembly.ID 1 _Assembly.Name 'DNA packaging protein (E.C.3.6.4.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30691 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30691 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFIGDSQVFIEKRSKDSKFV FSIVYNGFTLGVWVDVNQGL MYIDTAHDPSTKNVYTLTTD DLNENMMLITNYKNNYHLRK LASAFMNGYLRFDNQVIRNI AYELFRKMRIQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain, residues 223-332' _Entity.Mutation . _Entity.EC_number 3.6.4.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14195.173 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ATPase gp16' common 30691 1 'Gene product 16' common 30691 1 'Protein p16' common 30691 1 gp16 common 30691 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 222 MET . 30691 1 2 223 PHE . 30691 1 3 224 ILE . 30691 1 4 225 GLY . 30691 1 5 226 ASP . 30691 1 6 227 SER . 30691 1 7 228 GLN . 30691 1 8 229 VAL . 30691 1 9 230 PHE . 30691 1 10 231 ILE . 30691 1 11 232 GLU . 30691 1 12 233 LYS . 30691 1 13 234 ARG . 30691 1 14 235 SER . 30691 1 15 236 LYS . 30691 1 16 237 ASP . 30691 1 17 238 SER . 30691 1 18 239 LYS . 30691 1 19 240 PHE . 30691 1 20 241 VAL . 30691 1 21 242 PHE . 30691 1 22 243 SER . 30691 1 23 244 ILE . 30691 1 24 245 VAL . 30691 1 25 246 TYR . 30691 1 26 247 ASN . 30691 1 27 248 GLY . 30691 1 28 249 PHE . 30691 1 29 250 THR . 30691 1 30 251 LEU . 30691 1 31 252 GLY . 30691 1 32 253 VAL . 30691 1 33 254 TRP . 30691 1 34 255 VAL . 30691 1 35 256 ASP . 30691 1 36 257 VAL . 30691 1 37 258 ASN . 30691 1 38 259 GLN . 30691 1 39 260 GLY . 30691 1 40 261 LEU . 30691 1 41 262 MET . 30691 1 42 263 TYR . 30691 1 43 264 ILE . 30691 1 44 265 ASP . 30691 1 45 266 THR . 30691 1 46 267 ALA . 30691 1 47 268 HIS . 30691 1 48 269 ASP . 30691 1 49 270 PRO . 30691 1 50 271 SER . 30691 1 51 272 THR . 30691 1 52 273 LYS . 30691 1 53 274 ASN . 30691 1 54 275 VAL . 30691 1 55 276 TYR . 30691 1 56 277 THR . 30691 1 57 278 LEU . 30691 1 58 279 THR . 30691 1 59 280 THR . 30691 1 60 281 ASP . 30691 1 61 282 ASP . 30691 1 62 283 LEU . 30691 1 63 284 ASN . 30691 1 64 285 GLU . 30691 1 65 286 ASN . 30691 1 66 287 MET . 30691 1 67 288 MET . 30691 1 68 289 LEU . 30691 1 69 290 ILE . 30691 1 70 291 THR . 30691 1 71 292 ASN . 30691 1 72 293 TYR . 30691 1 73 294 LYS . 30691 1 74 295 ASN . 30691 1 75 296 ASN . 30691 1 76 297 TYR . 30691 1 77 298 HIS . 30691 1 78 299 LEU . 30691 1 79 300 ARG . 30691 1 80 301 LYS . 30691 1 81 302 LEU . 30691 1 82 303 ALA . 30691 1 83 304 SER . 30691 1 84 305 ALA . 30691 1 85 306 PHE . 30691 1 86 307 MET . 30691 1 87 308 ASN . 30691 1 88 309 GLY . 30691 1 89 310 TYR . 30691 1 90 311 LEU . 30691 1 91 312 ARG . 30691 1 92 313 PHE . 30691 1 93 314 ASP . 30691 1 94 315 ASN . 30691 1 95 316 GLN . 30691 1 96 317 VAL . 30691 1 97 318 ILE . 30691 1 98 319 ARG . 30691 1 99 320 ASN . 30691 1 100 321 ILE . 30691 1 101 322 ALA . 30691 1 102 323 TYR . 30691 1 103 324 GLU . 30691 1 104 325 LEU . 30691 1 105 326 PHE . 30691 1 106 327 ARG . 30691 1 107 328 LYS . 30691 1 108 329 MET . 30691 1 109 330 ARG . 30691 1 110 331 ILE . 30691 1 111 332 GLN . 30691 1 112 333 LEU . 30691 1 113 334 GLU . 30691 1 114 335 HIS . 30691 1 115 336 HIS . 30691 1 116 337 HIS . 30691 1 117 338 HIS . 30691 1 118 339 HIS . 30691 1 119 340 HIS . 30691 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 30691 1 . PHE 2 2 30691 1 . ILE 3 3 30691 1 . GLY 4 4 30691 1 . ASP 5 5 30691 1 . SER 6 6 30691 1 . GLN 7 7 30691 1 . VAL 8 8 30691 1 . PHE 9 9 30691 1 . ILE 10 10 30691 1 . GLU 11 11 30691 1 . LYS 12 12 30691 1 . ARG 13 13 30691 1 . SER 14 14 30691 1 . LYS 15 15 30691 1 . ASP 16 16 30691 1 . SER 17 17 30691 1 . LYS 18 18 30691 1 . PHE 19 19 30691 1 . VAL 20 20 30691 1 . PHE 21 21 30691 1 . SER 22 22 30691 1 . ILE 23 23 30691 1 . VAL 24 24 30691 1 . TYR 25 25 30691 1 . ASN 26 26 30691 1 . GLY 27 27 30691 1 . PHE 28 28 30691 1 . THR 29 29 30691 1 . LEU 30 30 30691 1 . GLY 31 31 30691 1 . VAL 32 32 30691 1 . TRP 33 33 30691 1 . VAL 34 34 30691 1 . ASP 35 35 30691 1 . VAL 36 36 30691 1 . ASN 37 37 30691 1 . GLN 38 38 30691 1 . GLY 39 39 30691 1 . LEU 40 40 30691 1 . MET 41 41 30691 1 . TYR 42 42 30691 1 . ILE 43 43 30691 1 . ASP 44 44 30691 1 . THR 45 45 30691 1 . ALA 46 46 30691 1 . HIS 47 47 30691 1 . ASP 48 48 30691 1 . PRO 49 49 30691 1 . SER 50 50 30691 1 . THR 51 51 30691 1 . LYS 52 52 30691 1 . ASN 53 53 30691 1 . VAL 54 54 30691 1 . TYR 55 55 30691 1 . THR 56 56 30691 1 . LEU 57 57 30691 1 . THR 58 58 30691 1 . THR 59 59 30691 1 . ASP 60 60 30691 1 . ASP 61 61 30691 1 . LEU 62 62 30691 1 . ASN 63 63 30691 1 . GLU 64 64 30691 1 . ASN 65 65 30691 1 . MET 66 66 30691 1 . MET 67 67 30691 1 . LEU 68 68 30691 1 . ILE 69 69 30691 1 . THR 70 70 30691 1 . ASN 71 71 30691 1 . TYR 72 72 30691 1 . LYS 73 73 30691 1 . ASN 74 74 30691 1 . ASN 75 75 30691 1 . TYR 76 76 30691 1 . HIS 77 77 30691 1 . LEU 78 78 30691 1 . ARG 79 79 30691 1 . LYS 80 80 30691 1 . LEU 81 81 30691 1 . ALA 82 82 30691 1 . SER 83 83 30691 1 . ALA 84 84 30691 1 . PHE 85 85 30691 1 . MET 86 86 30691 1 . ASN 87 87 30691 1 . GLY 88 88 30691 1 . TYR 89 89 30691 1 . LEU 90 90 30691 1 . ARG 91 91 30691 1 . PHE 92 92 30691 1 . ASP 93 93 30691 1 . ASN 94 94 30691 1 . GLN 95 95 30691 1 . VAL 96 96 30691 1 . ILE 97 97 30691 1 . ARG 98 98 30691 1 . ASN 99 99 30691 1 . ILE 100 100 30691 1 . ALA 101 101 30691 1 . TYR 102 102 30691 1 . GLU 103 103 30691 1 . LEU 104 104 30691 1 . PHE 105 105 30691 1 . ARG 106 106 30691 1 . LYS 107 107 30691 1 . MET 108 108 30691 1 . ARG 109 109 30691 1 . ILE 110 110 30691 1 . GLN 111 111 30691 1 . LEU 112 112 30691 1 . GLU 113 113 30691 1 . HIS 114 114 30691 1 . HIS 115 115 30691 1 . HIS 116 116 30691 1 . HIS 117 117 30691 1 . HIS 118 118 30691 1 . HIS 119 119 30691 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 30691 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10756 organism . 'Bacillus phage phi29' 'Bacillus phage phi29' . . Viruses . Salasvirus 'Bacillus phage phi29' . . . . . . . . . . . 16 . 30691 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 30691 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pET30a . . . 30691 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30691 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 uM [U-15N] protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein [U-15N] . . 1 $entity_1 . . 1 . . uM . . . . 30691 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 30691 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30691 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 uM [U-13C] protein, 99.9% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% 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 protein [U-13C] . . 1 $entity_1 . . 1 . . uM . . . . 30691 2 2 MES [U-2H] . . . . . . 50 . . mM . . . . 30691 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30691 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 uM U-15N, U-13C protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein 'U-15N, U-13C' . . 1 $entity_1 . . 1 . . uM . . . . 30691 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 30691 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30691 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 6.0 . pH 30691 1 pressure 1013 . mbar 30691 1 temperature 303 . K 30691 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30691 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30691 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30691 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30691 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30691 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30691 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30691 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 9.2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30691 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30691 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30691 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30691 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' . 30691 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30691 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30691 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30691 5 'structure calculation' . 30691 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30691 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30691 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'QCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30691 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30691 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 750 . . . 30691 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 30691 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 30691 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 30691 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 2 '3D 13C-edited NOESY-HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 3 '3D 13C-editied NOESY-HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 4 '3D HSQC-NOESY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 5 HD-exchange no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 6 '3D HNCA' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30691 1 7 '3D HNCACB' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30691 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30691 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30691 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30691 1 12 '3D HNCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30691 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30691 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TSP 'methyl protons' . . . . ppm 0.000 na indirect 0.25146166 . . . . . 30691 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 na direct 1.0 . . . . . 30691 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 na indirect 0.10134107 . . . . . 30691 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30691 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N NOESY-HSQC' . . . 30691 1 2 '3D 13C-edited NOESY-HSQC aliphatic' . . . 30691 1 3 '3D 13C-editied NOESY-HSQC aromatic' . . . 30691 1 4 '3D HSQC-NOESY-HSQC' . . . 30691 1 5 HD-exchange . . . 30691 1 6 '3D HNCA' . . . 30691 1 7 '3D HNCACB' . . . 30691 1 8 '3D CBCA(CO)NH' . . . 30691 1 9 '3D 1H-15N TOCSY' . . . 30691 1 10 '3D HCCH-TOCSY' . . . 30691 1 11 '3D HCCH-TOCSY' . . . 30691 1 12 '3D HNCO' . . . 30691 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PHE HA H 1 4.5770 0.0000 . 1 . . . . A 223 PHE HA . 30691 1 2 . 1 . 1 2 2 PHE HB2 H 1 2.9910 0.0000 . 2 . . . . A 223 PHE HB2 . 30691 1 3 . 1 . 1 2 2 PHE HB3 H 1 2.9910 0.0000 . 2 . . . . A 223 PHE HB3 . 30691 1 4 . 1 . 1 2 2 PHE HD1 H 1 7.1760 0.0000 . 3 . . . . A 223 PHE HD1 . 30691 1 5 . 1 . 1 2 2 PHE HD2 H 1 7.1760 0.0000 . 3 . . . . A 223 PHE HD2 . 30691 1 6 . 1 . 1 2 2 PHE HE1 H 1 7.2790 0.0000 . 3 . . . . A 223 PHE HE1 . 30691 1 7 . 1 . 1 2 2 PHE HE2 H 1 7.2790 0.0000 . 3 . . . . A 223 PHE HE2 . 30691 1 8 . 1 . 1 2 2 PHE C C 13 175.7270 0.0000 . 1 . . . . A 223 PHE C . 30691 1 9 . 1 . 1 2 2 PHE CA C 13 57.8340 0.0000 . 1 . . . . A 223 PHE CA . 30691 1 10 . 1 . 1 2 2 PHE CB C 13 39.1130 0.0000 . 1 . . . . A 223 PHE CB . 30691 1 11 . 1 . 1 2 2 PHE CD1 C 13 131.7120 0.0000 . 3 . . . . A 223 PHE CD1 . 30691 1 12 . 1 . 1 2 2 PHE CD2 C 13 131.7120 0.0000 . 3 . . . . A 223 PHE CD2 . 30691 1 13 . 1 . 1 2 2 PHE CE1 C 13 131.6280 0.0000 . 3 . . . . A 223 PHE CE1 . 30691 1 14 . 1 . 1 2 2 PHE CE2 C 13 131.6280 0.0000 . 3 . . . . A 223 PHE CE2 . 30691 1 15 . 1 . 1 2 2 PHE N N 15 119.6020 0.0000 . 1 . . . . A 223 PHE N . 30691 1 16 . 1 . 1 3 3 ILE H H 1 8.1320 0.0000 . 1 . . . . A 224 ILE H . 30691 1 17 . 1 . 1 3 3 ILE HA H 1 4.1270 0.0000 . 1 . . . . A 224 ILE HA . 30691 1 18 . 1 . 1 3 3 ILE HB H 1 1.8280 0.0000 . 1 . . . . A 224 ILE HB . 30691 1 19 . 1 . 1 3 3 ILE HG12 H 1 1.1040 0.0000 . 2 . . . . A 224 ILE HG12 . 30691 1 20 . 1 . 1 3 3 ILE HG13 H 1 1.3860 0.0000 . 2 . . . . A 224 ILE HG13 . 30691 1 21 . 1 . 1 3 3 ILE HG21 H 1 0.8440 0.0000 . 1 . . . . A 224 ILE HG21 . 30691 1 22 . 1 . 1 3 3 ILE HG22 H 1 0.8440 0.0000 . 1 . . . . A 224 ILE HG22 . 30691 1 23 . 1 . 1 3 3 ILE HG23 H 1 0.8440 0.0000 . 1 . . . . A 224 ILE HG23 . 30691 1 24 . 1 . 1 3 3 ILE HD11 H 1 0.7680 0.0000 . 1 . . . . A 224 ILE HD11 . 30691 1 25 . 1 . 1 3 3 ILE HD12 H 1 0.7680 0.0000 . 1 . . . . A 224 ILE HD12 . 30691 1 26 . 1 . 1 3 3 ILE HD13 H 1 0.7680 0.0000 . 1 . . . . A 224 ILE HD13 . 30691 1 27 . 1 . 1 3 3 ILE C C 13 176.5840 0.0000 . 1 . . . . A 224 ILE C . 30691 1 28 . 1 . 1 3 3 ILE CA C 13 60.9780 0.0000 . 1 . . . . A 224 ILE CA . 30691 1 29 . 1 . 1 3 3 ILE CB C 13 38.5610 0.0000 . 1 . . . . A 224 ILE CB . 30691 1 30 . 1 . 1 3 3 ILE CG1 C 13 27.1630 0.0000 . 1 . . . . A 224 ILE CG1 . 30691 1 31 . 1 . 1 3 3 ILE CG2 C 13 17.4000 0.0000 . 1 . . . . A 224 ILE CG2 . 30691 1 32 . 1 . 1 3 3 ILE CD1 C 13 12.8820 0.0000 . 1 . . . . A 224 ILE CD1 . 30691 1 33 . 1 . 1 3 3 ILE N N 15 124.4350 0.0000 . 1 . . . . A 224 ILE N . 30691 1 34 . 1 . 1 4 4 GLY H H 1 7.7470 0.0000 . 1 . . . . A 225 GLY H . 30691 1 35 . 1 . 1 4 4 GLY HA2 H 1 3.8700 0.0000 . 2 . . . . A 225 GLY HA2 . 30691 1 36 . 1 . 1 4 4 GLY HA3 H 1 3.8700 0.0000 . 2 . . . . A 225 GLY HA3 . 30691 1 37 . 1 . 1 4 4 GLY C C 13 173.8650 0.0000 . 1 . . . . A 225 GLY C . 30691 1 38 . 1 . 1 4 4 GLY CA C 13 45.7170 0.0000 . 1 . . . . A 225 GLY CA . 30691 1 39 . 1 . 1 4 4 GLY N N 15 111.6850 0.0000 . 1 . . . . A 225 GLY N . 30691 1 40 . 1 . 1 5 5 ASP H H 1 8.0950 0.0000 . 1 . . . . A 226 ASP H . 30691 1 41 . 1 . 1 5 5 ASP HA H 1 4.6430 0.0000 . 1 . . . . A 226 ASP HA . 30691 1 42 . 1 . 1 5 5 ASP HB2 H 1 2.6960 0.0000 . 2 . . . . A 226 ASP HB2 . 30691 1 43 . 1 . 1 5 5 ASP HB3 H 1 2.6960 0.0000 . 2 . . . . A 226 ASP HB3 . 30691 1 44 . 1 . 1 5 5 ASP C C 13 176.7000 0.0000 . 1 . . . . A 226 ASP C . 30691 1 45 . 1 . 1 5 5 ASP CA C 13 54.1770 0.0000 . 1 . . . . A 226 ASP CA . 30691 1 46 . 1 . 1 5 5 ASP CB C 13 41.2760 0.0000 . 1 . . . . A 226 ASP CB . 30691 1 47 . 1 . 1 5 5 ASP N N 15 120.6430 0.0000 . 1 . . . . A 226 ASP N . 30691 1 48 . 1 . 1 6 6 SER H H 1 8.2390 0.0000 . 1 . . . . A 227 SER H . 30691 1 49 . 1 . 1 6 6 SER HA H 1 4.3580 0.0000 . 1 . . . . A 227 SER HA . 30691 1 50 . 1 . 1 6 6 SER HB2 H 1 3.8100 0.0000 . 2 . . . . A 227 SER HB2 . 30691 1 51 . 1 . 1 6 6 SER HB3 H 1 3.9490 0.0000 . 2 . . . . A 227 SER HB3 . 30691 1 52 . 1 . 1 6 6 SER CA C 13 59.3180 0.0000 . 1 . . . . A 227 SER CA . 30691 1 53 . 1 . 1 6 6 SER CB C 13 63.6040 0.0000 . 1 . . . . A 227 SER CB . 30691 1 54 . 1 . 1 6 6 SER N N 15 115.9480 0.0000 . 1 . . . . A 227 SER N . 30691 1 55 . 1 . 1 7 7 GLN H H 1 8.4780 0.0000 . 1 . . . . A 228 GLN H . 30691 1 56 . 1 . 1 7 7 GLN HA H 1 4.3120 0.0000 . 1 . . . . A 228 GLN HA . 30691 1 57 . 1 . 1 7 7 GLN HB2 H 1 1.8990 0.0000 . 2 . . . . A 228 GLN HB2 . 30691 1 58 . 1 . 1 7 7 GLN HB3 H 1 1.8990 0.0000 . 2 . . . . A 228 GLN HB3 . 30691 1 59 . 1 . 1 7 7 GLN CA C 13 55.6590 0.0000 . 1 . . . . A 228 GLN CA . 30691 1 60 . 1 . 1 7 7 GLN CB C 13 28.8980 0.0000 . 1 . . . . A 228 GLN CB . 30691 1 61 . 1 . 1 7 7 GLN N N 15 121.5480 0.0000 . 1 . . . . A 228 GLN N . 30691 1 62 . 1 . 1 8 8 VAL H H 1 7.5020 0.0000 . 1 . . . . A 229 VAL H . 30691 1 63 . 1 . 1 8 8 VAL HA H 1 3.7560 0.0000 . 1 . . . . A 229 VAL HA . 30691 1 64 . 1 . 1 8 8 VAL HB H 1 1.7620 0.0000 . 1 . . . . A 229 VAL HB . 30691 1 65 . 1 . 1 8 8 VAL HG11 H 1 0.6200 0.0000 . 2 . . . . A 229 VAL HG11 . 30691 1 66 . 1 . 1 8 8 VAL HG12 H 1 0.6200 0.0000 . 2 . . . . A 229 VAL HG12 . 30691 1 67 . 1 . 1 8 8 VAL HG13 H 1 0.6200 0.0000 . 2 . . . . A 229 VAL HG13 . 30691 1 68 . 1 . 1 8 8 VAL HG21 H 1 0.5450 0.0000 . 2 . . . . A 229 VAL HG21 . 30691 1 69 . 1 . 1 8 8 VAL HG22 H 1 0.5450 0.0000 . 2 . . . . A 229 VAL HG22 . 30691 1 70 . 1 . 1 8 8 VAL HG23 H 1 0.5450 0.0000 . 2 . . . . A 229 VAL HG23 . 30691 1 71 . 1 . 1 8 8 VAL CA C 13 63.8990 0.0000 . 1 . . . . A 229 VAL CA . 30691 1 72 . 1 . 1 8 8 VAL CB C 13 31.5480 0.0000 . 1 . . . . A 229 VAL CB . 30691 1 73 . 1 . 1 8 8 VAL CG1 C 13 20.7780 0.0000 . 2 . . . . A 229 VAL CG1 . 30691 1 74 . 1 . 1 8 8 VAL CG2 C 13 20.3200 0.0000 . 2 . . . . A 229 VAL CG2 . 30691 1 75 . 1 . 1 8 8 VAL N N 15 120.4130 0.0000 . 1 . . . . A 229 VAL N . 30691 1 76 . 1 . 1 9 9 PHE H H 1 8.3580 0.0000 . 1 . . . . A 230 PHE H . 30691 1 77 . 1 . 1 9 9 PHE HA H 1 4.5654 0.0000 . 1 . . . . A 230 PHE HA . 30691 1 78 . 1 . 1 9 9 PHE HB2 H 1 3.5788 0.0000 . 2 . . . . A 230 PHE HB2 . 30691 1 79 . 1 . 1 9 9 PHE HB3 H 1 3.5788 0.0000 . 2 . . . . A 230 PHE HB3 . 30691 1 80 . 1 . 1 9 9 PHE HD1 H 1 7.3962 0.0000 . 3 . . . . A 230 PHE HD1 . 30691 1 81 . 1 . 1 9 9 PHE HD2 H 1 7.3962 0.0000 . 3 . . . . A 230 PHE HD2 . 30691 1 82 . 1 . 1 9 9 PHE HE1 H 1 7.2322 0.0000 . 3 . . . . A 230 PHE HE1 . 30691 1 83 . 1 . 1 9 9 PHE HE2 H 1 7.2322 0.0000 . 3 . . . . A 230 PHE HE2 . 30691 1 84 . 1 . 1 9 9 PHE C C 13 174.3540 0.0000 . 1 . . . . A 230 PHE C . 30691 1 85 . 1 . 1 9 9 PHE CA C 13 58.1150 0.0000 . 1 . . . . A 230 PHE CA . 30691 1 86 . 1 . 1 9 9 PHE CB C 13 38.1330 0.0000 . 1 . . . . A 230 PHE CB . 30691 1 87 . 1 . 1 9 9 PHE CD1 C 13 129.7647 0.0000 . 3 . . . . A 230 PHE CD1 . 30691 1 88 . 1 . 1 9 9 PHE CD2 C 13 131.4625 0.0000 . 3 . . . . A 230 PHE CD2 . 30691 1 89 . 1 . 1 9 9 PHE CE1 C 13 131.4625 0.0000 . 3 . . . . A 230 PHE CE1 . 30691 1 90 . 1 . 1 9 9 PHE CE2 C 13 129.7647 0.0000 . 3 . . . . A 230 PHE CE2 . 30691 1 91 . 1 . 1 9 9 PHE N N 15 116.7960 0.0000 . 1 . . . . A 230 PHE N . 30691 1 92 . 1 . 1 10 10 ILE H H 1 7.8720 0.0000 . 1 . . . . A 231 ILE H . 30691 1 93 . 1 . 1 10 10 ILE HA H 1 5.1380 0.0000 . 1 . . . . A 231 ILE HA . 30691 1 94 . 1 . 1 10 10 ILE HB H 1 2.1510 0.0000 . 1 . . . . A 231 ILE HB . 30691 1 95 . 1 . 1 10 10 ILE HG21 H 1 0.8720 0.0000 . 1 . . . . A 231 ILE HG21 . 30691 1 96 . 1 . 1 10 10 ILE HG22 H 1 0.8720 0.0000 . 1 . . . . A 231 ILE HG22 . 30691 1 97 . 1 . 1 10 10 ILE HG23 H 1 0.8720 0.0000 . 1 . . . . A 231 ILE HG23 . 30691 1 98 . 1 . 1 10 10 ILE HD11 H 1 0.6260 0.0000 . 1 . . . . A 231 ILE HD11 . 30691 1 99 . 1 . 1 10 10 ILE HD12 H 1 0.6260 0.0000 . 1 . . . . A 231 ILE HD12 . 30691 1 100 . 1 . 1 10 10 ILE HD13 H 1 0.6260 0.0000 . 1 . . . . A 231 ILE HD13 . 30691 1 101 . 1 . 1 10 10 ILE C C 13 176.2420 0.0000 . 1 . . . . A 231 ILE C . 30691 1 102 . 1 . 1 10 10 ILE CA C 13 59.1010 0.0000 . 1 . . . . A 231 ILE CA . 30691 1 103 . 1 . 1 10 10 ILE CB C 13 35.4460 0.0000 . 1 . . . . A 231 ILE CB . 30691 1 104 . 1 . 1 10 10 ILE CG1 C 13 27.3510 0.0000 . 1 . . . . A 231 ILE CG1 . 30691 1 105 . 1 . 1 10 10 ILE CG2 C 13 17.0250 0.0000 . 1 . . . . A 231 ILE CG2 . 30691 1 106 . 1 . 1 10 10 ILE CD1 C 13 11.7450 0.0000 . 1 . . . . A 231 ILE CD1 . 30691 1 107 . 1 . 1 10 10 ILE N N 15 120.6320 0.0000 . 1 . . . . A 231 ILE N . 30691 1 108 . 1 . 1 11 11 GLU H H 1 8.4240 0.0000 . 1 . . . . A 232 GLU H . 30691 1 109 . 1 . 1 11 11 GLU HA H 1 4.4010 0.0000 . 1 . . . . A 232 GLU HA . 30691 1 110 . 1 . 1 11 11 GLU HB2 H 1 1.9260 0.0000 . 2 . . . . A 232 GLU HB2 . 30691 1 111 . 1 . 1 11 11 GLU HB3 H 1 1.9260 0.0000 . 2 . . . . A 232 GLU HB3 . 30691 1 112 . 1 . 1 11 11 GLU HG2 H 1 2.3140 0.0000 . 2 . . . . A 232 GLU HG2 . 30691 1 113 . 1 . 1 11 11 GLU HG3 H 1 2.3140 0.0000 . 2 . . . . A 232 GLU HG3 . 30691 1 114 . 1 . 1 11 11 GLU C C 13 173.2290 0.0000 . 1 . . . . A 232 GLU C . 30691 1 115 . 1 . 1 11 11 GLU CA C 13 56.3320 0.0000 . 1 . . . . A 232 GLU CA . 30691 1 116 . 1 . 1 11 11 GLU CB C 13 34.0730 0.0000 . 1 . . . . A 232 GLU CB . 30691 1 117 . 1 . 1 11 11 GLU CG C 13 36.7990 0.0000 . 1 . . . . A 232 GLU CG . 30691 1 118 . 1 . 1 11 11 GLU N N 15 130.0210 0.0000 . 1 . . . . A 232 GLU N . 30691 1 119 . 1 . 1 12 12 LYS H H 1 8.1550 0.0000 . 1 . . . . A 233 LYS H . 30691 1 120 . 1 . 1 12 12 LYS HA H 1 4.2300 0.0000 . 1 . . . . A 233 LYS HA . 30691 1 121 . 1 . 1 12 12 LYS HB2 H 1 1.6330 0.0000 . 2 . . . . A 233 LYS HB2 . 30691 1 122 . 1 . 1 12 12 LYS HB3 H 1 1.6330 0.0000 . 2 . . . . A 233 LYS HB3 . 30691 1 123 . 1 . 1 12 12 LYS HG2 H 1 1.5360 0.0000 . 2 . . . . A 233 LYS HG2 . 30691 1 124 . 1 . 1 12 12 LYS HG3 H 1 1.5360 0.0000 . 2 . . . . A 233 LYS HG3 . 30691 1 125 . 1 . 1 12 12 LYS C C 13 176.1800 0.0000 . 1 . . . . A 233 LYS C . 30691 1 126 . 1 . 1 12 12 LYS CA C 13 55.5010 0.0000 . 1 . . . . A 233 LYS CA . 30691 1 127 . 1 . 1 12 12 LYS CB C 13 32.3260 0.0000 . 1 . . . . A 233 LYS CB . 30691 1 128 . 1 . 1 12 12 LYS CG C 13 24.0270 0.0000 . 1 . . . . A 233 LYS CG . 30691 1 129 . 1 . 1 12 12 LYS CE C 13 42.3040 0.0000 . 1 . . . . A 233 LYS CE . 30691 1 130 . 1 . 1 12 12 LYS N N 15 123.4140 0.0000 . 1 . . . . A 233 LYS N . 30691 1 131 . 1 . 1 13 13 ARG H H 1 8.5690 0.0000 . 1 . . . . A 234 ARG H . 30691 1 132 . 1 . 1 13 13 ARG C C 13 175.9150 0.0000 . 1 . . . . A 234 ARG C . 30691 1 133 . 1 . 1 13 13 ARG CA C 13 56.0960 0.0000 . 1 . . . . A 234 ARG CA . 30691 1 134 . 1 . 1 13 13 ARG CB C 13 29.5720 0.0000 . 1 . . . . A 234 ARG CB . 30691 1 135 . 1 . 1 13 13 ARG N N 15 122.0110 0.0000 . 1 . . . . A 234 ARG N . 30691 1 136 . 1 . 1 14 14 SER H H 1 5.6220 0.0000 . 1 . . . . A 235 SER H . 30691 1 137 . 1 . 1 14 14 SER HA H 1 4.2360 0.0000 . 1 . . . . A 235 SER HA . 30691 1 138 . 1 . 1 14 14 SER HB2 H 1 4.2519 0.0000 . 2 . . . . A 235 SER HB2 . 30691 1 139 . 1 . 1 14 14 SER HB3 H 1 3.8818 0.0000 . 2 . . . . A 235 SER HB3 . 30691 1 140 . 1 . 1 14 14 SER CA C 13 57.1120 0.0000 . 1 . . . . A 235 SER CA . 30691 1 141 . 1 . 1 14 14 SER CB C 13 64.4970 0.0000 . 1 . . . . A 235 SER CB . 30691 1 142 . 1 . 1 14 14 SER N N 15 117.2680 0.0000 . 1 . . . . A 235 SER N . 30691 1 143 . 1 . 1 15 15 LYS H H 1 8.9380 0.0000 . 1 . . . . A 236 LYS H . 30691 1 144 . 1 . 1 15 15 LYS HA H 1 4.0710 0.0000 . 1 . . . . A 236 LYS HA . 30691 1 145 . 1 . 1 15 15 LYS C C 13 177.2070 0.0000 . 1 . . . . A 236 LYS C . 30691 1 146 . 1 . 1 15 15 LYS CA C 13 58.7750 0.0000 . 1 . . . . A 236 LYS CA . 30691 1 147 . 1 . 1 15 15 LYS CB C 13 31.8170 0.0000 . 1 . . . . A 236 LYS CB . 30691 1 148 . 1 . 1 15 15 LYS N N 15 123.4130 0.0000 . 1 . . . . A 236 LYS N . 30691 1 149 . 1 . 1 16 16 ASP H H 1 7.7290 0.0000 . 1 . . . . A 237 ASP H . 30691 1 150 . 1 . 1 16 16 ASP HA H 1 4.8580 0.0000 . 1 . . . . A 237 ASP HA . 30691 1 151 . 1 . 1 16 16 ASP HB2 H 1 2.5300 0.0000 . 2 . . . . A 237 ASP HB2 . 30691 1 152 . 1 . 1 16 16 ASP HB3 H 1 2.9070 0.0000 . 2 . . . . A 237 ASP HB3 . 30691 1 153 . 1 . 1 16 16 ASP C C 13 176.0920 0.0000 . 1 . . . . A 237 ASP C . 30691 1 154 . 1 . 1 16 16 ASP CA C 13 54.1870 0.0000 . 1 . . . . A 237 ASP CA . 30691 1 155 . 1 . 1 16 16 ASP CB C 13 41.1730 0.0000 . 1 . . . . A 237 ASP CB . 30691 1 156 . 1 . 1 16 16 ASP N N 15 115.9080 0.0000 . 1 . . . . A 237 ASP N . 30691 1 157 . 1 . 1 17 17 SER H H 1 7.4100 0.0000 . 1 . . . . A 238 SER H . 30691 1 158 . 1 . 1 17 17 SER HA H 1 4.6320 0.0000 . 1 . . . . A 238 SER HA . 30691 1 159 . 1 . 1 17 17 SER HB2 H 1 3.8580 0.0000 . 2 . . . . A 238 SER HB2 . 30691 1 160 . 1 . 1 17 17 SER HB3 H 1 4.0400 0.0000 . 2 . . . . A 238 SER HB3 . 30691 1 161 . 1 . 1 17 17 SER C C 13 173.7290 0.0000 . 1 . . . . A 238 SER C . 30691 1 162 . 1 . 1 17 17 SER CA C 13 60.0670 0.0000 . 1 . . . . A 238 SER CA . 30691 1 163 . 1 . 1 17 17 SER CB C 13 64.5230 0.0000 . 1 . . . . A 238 SER CB . 30691 1 164 . 1 . 1 17 17 SER N N 15 116.2480 0.0000 . 1 . . . . A 238 SER N . 30691 1 165 . 1 . 1 18 18 LYS H H 1 9.0720 0.0000 . 1 . . . . A 239 LYS H . 30691 1 166 . 1 . 1 18 18 LYS HA H 1 5.0870 0.0000 . 1 . . . . A 239 LYS HA . 30691 1 167 . 1 . 1 18 18 LYS HB2 H 1 1.8950 0.0000 . 2 . . . . A 239 LYS HB2 . 30691 1 168 . 1 . 1 18 18 LYS HB3 H 1 1.8950 0.0000 . 2 . . . . A 239 LYS HB3 . 30691 1 169 . 1 . 1 18 18 LYS HG2 H 1 1.6350 0.0000 . 2 . . . . A 239 LYS HG2 . 30691 1 170 . 1 . 1 18 18 LYS HG3 H 1 1.6350 0.0000 . 2 . . . . A 239 LYS HG3 . 30691 1 171 . 1 . 1 18 18 LYS HD2 H 1 1.7770 0.0000 . 2 . . . . A 239 LYS HD2 . 30691 1 172 . 1 . 1 18 18 LYS HD3 H 1 1.7770 0.0000 . 2 . . . . A 239 LYS HD3 . 30691 1 173 . 1 . 1 18 18 LYS C C 13 175.3000 0.0000 . 1 . . . . A 239 LYS C . 30691 1 174 . 1 . 1 18 18 LYS CA C 13 54.0220 0.0000 . 1 . . . . A 239 LYS CA . 30691 1 175 . 1 . 1 18 18 LYS CB C 13 35.5790 0.0000 . 1 . . . . A 239 LYS CB . 30691 1 176 . 1 . 1 18 18 LYS CG C 13 24.5410 0.0000 . 1 . . . . A 239 LYS CG . 30691 1 177 . 1 . 1 18 18 LYS CD C 13 28.9030 0.0000 . 1 . . . . A 239 LYS CD . 30691 1 178 . 1 . 1 18 18 LYS N N 15 121.3300 0.0000 . 1 . . . . A 239 LYS N . 30691 1 179 . 1 . 1 19 19 PHE H H 1 8.6820 0.0000 . 1 . . . . A 240 PHE H . 30691 1 180 . 1 . 1 19 19 PHE HA H 1 3.0990 0.0000 . 1 . . . . A 240 PHE HA . 30691 1 181 . 1 . 1 19 19 PHE HB2 H 1 1.0870 0.0000 . 2 . . . . A 240 PHE HB2 . 30691 1 182 . 1 . 1 19 19 PHE HB3 H 1 2.2630 0.0000 . 2 . . . . A 240 PHE HB3 . 30691 1 183 . 1 . 1 19 19 PHE HD1 H 1 6.2650 0.0000 . 3 . . . . A 240 PHE HD1 . 30691 1 184 . 1 . 1 19 19 PHE HD2 H 1 6.2650 0.0000 . 3 . . . . A 240 PHE HD2 . 30691 1 185 . 1 . 1 19 19 PHE HE1 H 1 7.1960 0.0000 . 3 . . . . A 240 PHE HE1 . 30691 1 186 . 1 . 1 19 19 PHE HE2 H 1 7.1960 0.0000 . 3 . . . . A 240 PHE HE2 . 30691 1 187 . 1 . 1 19 19 PHE C C 13 175.3900 0.0000 . 1 . . . . A 240 PHE C . 30691 1 188 . 1 . 1 19 19 PHE CA C 13 59.7660 0.0000 . 1 . . . . A 240 PHE CA . 30691 1 189 . 1 . 1 19 19 PHE CB C 13 38.0170 0.0000 . 1 . . . . A 240 PHE CB . 30691 1 190 . 1 . 1 19 19 PHE CD1 C 13 131.9480 0.0000 . 3 . . . . A 240 PHE CD1 . 30691 1 191 . 1 . 1 19 19 PHE CD2 C 13 131.9480 0.0000 . 3 . . . . A 240 PHE CD2 . 30691 1 192 . 1 . 1 19 19 PHE CE1 C 13 131.3050 0.0000 . 3 . . . . A 240 PHE CE1 . 30691 1 193 . 1 . 1 19 19 PHE CE2 C 13 131.3050 0.0000 . 3 . . . . A 240 PHE CE2 . 30691 1 194 . 1 . 1 19 19 PHE N N 15 127.7890 0.0000 . 1 . . . . A 240 PHE N . 30691 1 195 . 1 . 1 20 20 VAL H H 1 8.1700 0.0000 . 1 . . . . A 241 VAL H . 30691 1 196 . 1 . 1 20 20 VAL HA H 1 4.1570 0.0000 . 1 . . . . A 241 VAL HA . 30691 1 197 . 1 . 1 20 20 VAL HB H 1 1.7010 0.0000 . 1 . . . . A 241 VAL HB . 30691 1 198 . 1 . 1 20 20 VAL HG11 H 1 0.9740 0.0000 . 2 . . . . A 241 VAL HG11 . 30691 1 199 . 1 . 1 20 20 VAL HG12 H 1 0.9740 0.0000 . 2 . . . . A 241 VAL HG12 . 30691 1 200 . 1 . 1 20 20 VAL HG13 H 1 0.9740 0.0000 . 2 . . . . A 241 VAL HG13 . 30691 1 201 . 1 . 1 20 20 VAL HG21 H 1 0.8110 0.0000 . 2 . . . . A 241 VAL HG21 . 30691 1 202 . 1 . 1 20 20 VAL HG22 H 1 0.8110 0.0000 . 2 . . . . A 241 VAL HG22 . 30691 1 203 . 1 . 1 20 20 VAL HG23 H 1 0.8110 0.0000 . 2 . . . . A 241 VAL HG23 . 30691 1 204 . 1 . 1 20 20 VAL C C 13 174.3120 0.0000 . 1 . . . . A 241 VAL C . 30691 1 205 . 1 . 1 20 20 VAL CA C 13 63.3370 0.0000 . 1 . . . . A 241 VAL CA . 30691 1 206 . 1 . 1 20 20 VAL CB C 13 33.7520 0.0000 . 1 . . . . A 241 VAL CB . 30691 1 207 . 1 . 1 20 20 VAL CG1 C 13 22.9790 0.0000 . 2 . . . . A 241 VAL CG1 . 30691 1 208 . 1 . 1 20 20 VAL CG2 C 13 21.4940 0.0000 . 2 . . . . A 241 VAL CG2 . 30691 1 209 . 1 . 1 20 20 VAL N N 15 124.6600 0.0000 . 1 . . . . A 241 VAL N . 30691 1 210 . 1 . 1 21 21 PHE H H 1 6.4720 0.0000 . 1 . . . . A 242 PHE H . 30691 1 211 . 1 . 1 21 21 PHE HA H 1 4.7000 0.0000 . 1 . . . . A 242 PHE HA . 30691 1 212 . 1 . 1 21 21 PHE HB2 H 1 2.6990 0.0000 . 2 . . . . A 242 PHE HB2 . 30691 1 213 . 1 . 1 21 21 PHE HB3 H 1 2.6990 0.0000 . 2 . . . . A 242 PHE HB3 . 30691 1 214 . 1 . 1 21 21 PHE HD1 H 1 6.8350 0.0000 . 3 . . . . A 242 PHE HD1 . 30691 1 215 . 1 . 1 21 21 PHE HD2 H 1 6.8350 0.0000 . 3 . . . . A 242 PHE HD2 . 30691 1 216 . 1 . 1 21 21 PHE HE1 H 1 6.9950 0.0000 . 3 . . . . A 242 PHE HE1 . 30691 1 217 . 1 . 1 21 21 PHE HE2 H 1 6.9950 0.0000 . 3 . . . . A 242 PHE HE2 . 30691 1 218 . 1 . 1 21 21 PHE C C 13 170.9270 0.0000 . 1 . . . . A 242 PHE C . 30691 1 219 . 1 . 1 21 21 PHE CA C 13 56.9920 0.0000 . 1 . . . . A 242 PHE CA . 30691 1 220 . 1 . 1 21 21 PHE CB C 13 39.5740 0.0000 . 1 . . . . A 242 PHE CB . 30691 1 221 . 1 . 1 21 21 PHE CD1 C 13 133.1440 0.0000 . 3 . . . . A 242 PHE CD1 . 30691 1 222 . 1 . 1 21 21 PHE CD2 C 13 133.1440 0.0000 . 3 . . . . A 242 PHE CD2 . 30691 1 223 . 1 . 1 21 21 PHE CE1 C 13 130.1910 0.0000 . 3 . . . . A 242 PHE CE1 . 30691 1 224 . 1 . 1 21 21 PHE CE2 C 13 130.1910 0.0000 . 3 . . . . A 242 PHE CE2 . 30691 1 225 . 1 . 1 21 21 PHE N N 15 113.0220 0.0000 . 1 . . . . A 242 PHE N . 30691 1 226 . 1 . 1 22 22 SER H H 1 8.9300 0.0000 . 1 . . . . A 243 SER H . 30691 1 227 . 1 . 1 22 22 SER HA H 1 5.7530 0.0000 . 1 . . . . A 243 SER HA . 30691 1 228 . 1 . 1 22 22 SER HB2 H 1 3.7690 0.0000 . 2 . . . . A 243 SER HB2 . 30691 1 229 . 1 . 1 22 22 SER HB3 H 1 3.7690 0.0000 . 2 . . . . A 243 SER HB3 . 30691 1 230 . 1 . 1 22 22 SER C C 13 173.7060 0.0000 . 1 . . . . A 243 SER C . 30691 1 231 . 1 . 1 22 22 SER CA C 13 56.5620 0.0000 . 1 . . . . A 243 SER CA . 30691 1 232 . 1 . 1 22 22 SER CB C 13 66.9680 0.0000 . 1 . . . . A 243 SER CB . 30691 1 233 . 1 . 1 22 22 SER N N 15 114.2850 0.0000 . 1 . . . . A 243 SER N . 30691 1 234 . 1 . 1 23 23 ILE H H 1 9.1920 0.0000 . 1 . . . . A 244 ILE H . 30691 1 235 . 1 . 1 23 23 ILE HA H 1 5.2100 0.0000 . 1 . . . . A 244 ILE HA . 30691 1 236 . 1 . 1 23 23 ILE HB H 1 1.7420 0.0000 . 1 . . . . A 244 ILE HB . 30691 1 237 . 1 . 1 23 23 ILE HG12 H 1 1.1110 0.0000 . 2 . . . . A 244 ILE HG12 . 30691 1 238 . 1 . 1 23 23 ILE HG13 H 1 1.1110 0.0000 . 2 . . . . A 244 ILE HG13 . 30691 1 239 . 1 . 1 23 23 ILE HG21 H 1 0.9960 0.0000 . 1 . . . . A 244 ILE HG21 . 30691 1 240 . 1 . 1 23 23 ILE HG22 H 1 0.9960 0.0000 . 1 . . . . A 244 ILE HG22 . 30691 1 241 . 1 . 1 23 23 ILE HG23 H 1 0.9960 0.0000 . 1 . . . . A 244 ILE HG23 . 30691 1 242 . 1 . 1 23 23 ILE HD11 H 1 0.7970 0.0000 . 1 . . . . A 244 ILE HD11 . 30691 1 243 . 1 . 1 23 23 ILE HD12 H 1 0.7970 0.0000 . 1 . . . . A 244 ILE HD12 . 30691 1 244 . 1 . 1 23 23 ILE HD13 H 1 0.7970 0.0000 . 1 . . . . A 244 ILE HD13 . 30691 1 245 . 1 . 1 23 23 ILE C C 13 174.2380 0.0000 . 1 . . . . A 244 ILE C . 30691 1 246 . 1 . 1 23 23 ILE CA C 13 59.1070 0.0000 . 1 . . . . A 244 ILE CA . 30691 1 247 . 1 . 1 23 23 ILE CB C 13 42.4990 0.0000 . 1 . . . . A 244 ILE CB . 30691 1 248 . 1 . 1 23 23 ILE CG1 C 13 27.7540 0.0000 . 1 . . . . A 244 ILE CG1 . 30691 1 249 . 1 . 1 23 23 ILE CG2 C 13 17.9900 0.0000 . 1 . . . . A 244 ILE CG2 . 30691 1 250 . 1 . 1 23 23 ILE CD1 C 13 13.9860 0.0000 . 1 . . . . A 244 ILE CD1 . 30691 1 251 . 1 . 1 23 23 ILE N N 15 120.6900 0.0000 . 1 . . . . A 244 ILE N . 30691 1 252 . 1 . 1 24 24 VAL H H 1 8.9090 0.0000 . 1 . . . . A 245 VAL H . 30691 1 253 . 1 . 1 24 24 VAL HA H 1 4.9390 0.0000 . 1 . . . . A 245 VAL HA . 30691 1 254 . 1 . 1 24 24 VAL HB H 1 2.0300 0.0000 . 1 . . . . A 245 VAL HB . 30691 1 255 . 1 . 1 24 24 VAL HG11 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG11 . 30691 1 256 . 1 . 1 24 24 VAL HG12 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG12 . 30691 1 257 . 1 . 1 24 24 VAL HG13 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG13 . 30691 1 258 . 1 . 1 24 24 VAL HG21 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG21 . 30691 1 259 . 1 . 1 24 24 VAL HG22 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG22 . 30691 1 260 . 1 . 1 24 24 VAL HG23 H 1 0.7530 0.0000 . 2 . . . . A 245 VAL HG23 . 30691 1 261 . 1 . 1 24 24 VAL C C 13 175.4210 0.0000 . 1 . . . . A 245 VAL C . 30691 1 262 . 1 . 1 24 24 VAL CA C 13 61.2670 0.0000 . 1 . . . . A 245 VAL CA . 30691 1 263 . 1 . 1 24 24 VAL CB C 13 32.2200 0.0000 . 1 . . . . A 245 VAL CB . 30691 1 264 . 1 . 1 24 24 VAL CG1 C 13 20.4880 0.0000 . 2 . . . . A 245 VAL CG1 . 30691 1 265 . 1 . 1 24 24 VAL CG2 C 13 20.4880 0.0000 . 2 . . . . A 245 VAL CG2 . 30691 1 266 . 1 . 1 24 24 VAL N N 15 126.5050 0.0000 . 1 . . . . A 245 VAL N . 30691 1 267 . 1 . 1 25 25 TYR H H 1 9.1140 0.0000 . 1 . . . . A 246 TYR H . 30691 1 268 . 1 . 1 25 25 TYR HA H 1 5.1840 0.0000 . 1 . . . . A 246 TYR HA . 30691 1 269 . 1 . 1 25 25 TYR HB3 H 1 2.7700 0.0000 . 2 . . . . A 246 TYR HB3 . 30691 1 270 . 1 . 1 25 25 TYR HD1 H 1 6.8930 0.0000 . 3 . . . . A 246 TYR HD1 . 30691 1 271 . 1 . 1 25 25 TYR HD2 H 1 6.8930 0.0000 . 3 . . . . A 246 TYR HD2 . 30691 1 272 . 1 . 1 25 25 TYR HE1 H 1 6.6280 0.0000 . 3 . . . . A 246 TYR HE1 . 30691 1 273 . 1 . 1 25 25 TYR HE2 H 1 6.6280 0.0000 . 3 . . . . A 246 TYR HE2 . 30691 1 274 . 1 . 1 25 25 TYR C C 13 174.4520 0.0000 . 1 . . . . A 246 TYR C . 30691 1 275 . 1 . 1 25 25 TYR CA C 13 55.9510 0.0000 . 1 . . . . A 246 TYR CA . 30691 1 276 . 1 . 1 25 25 TYR CB C 13 41.1640 0.0000 . 1 . . . . A 246 TYR CB . 30691 1 277 . 1 . 1 25 25 TYR CD1 C 13 132.8760 0.0000 . 3 . . . . A 246 TYR CD1 . 30691 1 278 . 1 . 1 25 25 TYR CD2 C 13 132.8760 0.0000 . 3 . . . . A 246 TYR CD2 . 30691 1 279 . 1 . 1 25 25 TYR CE1 C 13 118.1400 0.0000 . 3 . . . . A 246 TYR CE1 . 30691 1 280 . 1 . 1 25 25 TYR CE2 C 13 118.1400 0.0000 . 3 . . . . A 246 TYR CE2 . 30691 1 281 . 1 . 1 25 25 TYR N N 15 128.1860 0.0000 . 1 . . . . A 246 TYR N . 30691 1 282 . 1 . 1 26 26 ASN H H 1 8.8820 0.0000 . 1 . . . . A 247 ASN H . 30691 1 283 . 1 . 1 26 26 ASN HA H 1 4.1490 0.0000 . 1 . . . . A 247 ASN HA . 30691 1 284 . 1 . 1 26 26 ASN HB2 H 1 2.0130 0.0000 . 2 . . . . A 247 ASN HB2 . 30691 1 285 . 1 . 1 26 26 ASN HB3 H 1 2.9070 0.0000 . 2 . . . . A 247 ASN HB3 . 30691 1 286 . 1 . 1 26 26 ASN C C 13 174.8670 0.0000 . 1 . . . . A 247 ASN C . 30691 1 287 . 1 . 1 26 26 ASN CA C 13 53.5010 0.0000 . 1 . . . . A 247 ASN CA . 30691 1 288 . 1 . 1 26 26 ASN CB C 13 36.7750 0.0000 . 1 . . . . A 247 ASN CB . 30691 1 289 . 1 . 1 26 26 ASN N N 15 127.4530 0.0000 . 1 . . . . A 247 ASN N . 30691 1 290 . 1 . 1 27 27 GLY H H 1 8.3040 0.0000 . 1 . . . . A 248 GLY H . 30691 1 291 . 1 . 1 27 27 GLY HA2 H 1 3.4410 0.0000 . 2 . . . . A 248 GLY HA2 . 30691 1 292 . 1 . 1 27 27 GLY HA3 H 1 4.0500 0.0000 . 2 . . . . A 248 GLY HA3 . 30691 1 293 . 1 . 1 27 27 GLY C C 13 173.3820 0.0000 . 1 . . . . A 248 GLY C . 30691 1 294 . 1 . 1 27 27 GLY CA C 13 45.2950 0.0000 . 1 . . . . A 248 GLY CA . 30691 1 295 . 1 . 1 27 27 GLY N N 15 101.5560 0.0000 . 1 . . . . A 248 GLY N . 30691 1 296 . 1 . 1 28 28 PHE H H 1 8.2040 0.0000 . 1 . . . . A 249 PHE H . 30691 1 297 . 1 . 1 28 28 PHE HA H 1 4.6920 0.0000 . 1 . . . . A 249 PHE HA . 30691 1 298 . 1 . 1 28 28 PHE HB2 H 1 3.1950 0.0000 . 2 . . . . A 249 PHE HB2 . 30691 1 299 . 1 . 1 28 28 PHE HB3 H 1 3.1950 0.0000 . 2 . . . . A 249 PHE HB3 . 30691 1 300 . 1 . 1 28 28 PHE HD1 H 1 7.2640 0.0000 . 3 . . . . A 249 PHE HD1 . 30691 1 301 . 1 . 1 28 28 PHE HD2 H 1 7.2640 0.0000 . 3 . . . . A 249 PHE HD2 . 30691 1 302 . 1 . 1 28 28 PHE HE1 H 1 7.2840 0.0000 . 3 . . . . A 249 PHE HE1 . 30691 1 303 . 1 . 1 28 28 PHE HE2 H 1 7.2840 0.0000 . 3 . . . . A 249 PHE HE2 . 30691 1 304 . 1 . 1 28 28 PHE C C 13 174.7140 0.0000 . 1 . . . . A 249 PHE C . 30691 1 305 . 1 . 1 28 28 PHE CA C 13 57.0670 0.0000 . 1 . . . . A 249 PHE CA . 30691 1 306 . 1 . 1 28 28 PHE CB C 13 41.0010 0.0000 . 1 . . . . A 249 PHE CB . 30691 1 307 . 1 . 1 28 28 PHE CD1 C 13 132.1060 0.0000 . 3 . . . . A 249 PHE CD1 . 30691 1 308 . 1 . 1 28 28 PHE CD2 C 13 132.1060 0.0000 . 3 . . . . A 249 PHE CD2 . 30691 1 309 . 1 . 1 28 28 PHE CE1 C 13 131.4150 0.0000 . 3 . . . . A 249 PHE CE1 . 30691 1 310 . 1 . 1 28 28 PHE CE2 C 13 131.4150 0.0000 . 3 . . . . A 249 PHE CE2 . 30691 1 311 . 1 . 1 28 28 PHE N N 15 123.9420 0.0000 . 1 . . . . A 249 PHE N . 30691 1 312 . 1 . 1 29 29 THR H H 1 8.1680 0.0000 . 1 . . . . A 250 THR H . 30691 1 313 . 1 . 1 29 29 THR HA H 1 4.7240 0.0000 . 1 . . . . A 250 THR HA . 30691 1 314 . 1 . 1 29 29 THR HB H 1 3.5670 0.0000 . 1 . . . . A 250 THR HB . 30691 1 315 . 1 . 1 29 29 THR HG21 H 1 0.3030 0.0000 . 1 . . . . A 250 THR HG21 . 30691 1 316 . 1 . 1 29 29 THR HG22 H 1 0.3030 0.0000 . 1 . . . . A 250 THR HG22 . 30691 1 317 . 1 . 1 29 29 THR HG23 H 1 0.3030 0.0000 . 1 . . . . A 250 THR HG23 . 30691 1 318 . 1 . 1 29 29 THR C C 13 172.7180 0.0000 . 1 . . . . A 250 THR C . 30691 1 319 . 1 . 1 29 29 THR CA C 13 63.4300 0.0000 . 1 . . . . A 250 THR CA . 30691 1 320 . 1 . 1 29 29 THR CB C 13 68.7580 0.0000 . 1 . . . . A 250 THR CB . 30691 1 321 . 1 . 1 29 29 THR CG2 C 13 19.3830 0.0000 . 1 . . . . A 250 THR CG2 . 30691 1 322 . 1 . 1 29 29 THR N N 15 122.2920 0.0000 . 1 . . . . A 250 THR N . 30691 1 323 . 1 . 1 30 30 LEU H H 1 9.4980 0.0000 . 1 . . . . A 251 LEU H . 30691 1 324 . 1 . 1 30 30 LEU HA H 1 4.8870 0.0000 . 1 . . . . A 251 LEU HA . 30691 1 325 . 1 . 1 30 30 LEU HB2 H 1 1.3840 0.0000 . 2 . . . . A 251 LEU HB2 . 30691 1 326 . 1 . 1 30 30 LEU HB3 H 1 1.8760 0.0000 . 2 . . . . A 251 LEU HB3 . 30691 1 327 . 1 . 1 30 30 LEU HG H 1 1.7830 0.0000 . 1 . . . . A 251 LEU HG . 30691 1 328 . 1 . 1 30 30 LEU HD11 H 1 0.8190 0.0000 . 2 . . . . A 251 LEU HD11 . 30691 1 329 . 1 . 1 30 30 LEU HD12 H 1 0.8190 0.0000 . 2 . . . . A 251 LEU HD12 . 30691 1 330 . 1 . 1 30 30 LEU HD13 H 1 0.8190 0.0000 . 2 . . . . A 251 LEU HD13 . 30691 1 331 . 1 . 1 30 30 LEU HD21 H 1 0.8900 0.0000 . 2 . . . . A 251 LEU HD21 . 30691 1 332 . 1 . 1 30 30 LEU HD22 H 1 0.8900 0.0000 . 2 . . . . A 251 LEU HD22 . 30691 1 333 . 1 . 1 30 30 LEU HD23 H 1 0.8900 0.0000 . 2 . . . . A 251 LEU HD23 . 30691 1 334 . 1 . 1 30 30 LEU C C 13 175.6410 0.0000 . 1 . . . . A 251 LEU C . 30691 1 335 . 1 . 1 30 30 LEU CA C 13 53.0320 0.0000 . 1 . . . . A 251 LEU CA . 30691 1 336 . 1 . 1 30 30 LEU CB C 13 43.1790 0.0000 . 1 . . . . A 251 LEU CB . 30691 1 337 . 1 . 1 30 30 LEU CG C 13 26.7430 0.0000 . 1 . . . . A 251 LEU CG . 30691 1 338 . 1 . 1 30 30 LEU CD1 C 13 25.4320 0.0000 . 2 . . . . A 251 LEU CD1 . 30691 1 339 . 1 . 1 30 30 LEU CD2 C 13 24.6360 0.0000 . 2 . . . . A 251 LEU CD2 . 30691 1 340 . 1 . 1 30 30 LEU N N 15 126.8910 0.0000 . 1 . . . . A 251 LEU N . 30691 1 341 . 1 . 1 31 31 GLY H H 1 9.2280 0.0000 . 1 . . . . A 252 GLY H . 30691 1 342 . 1 . 1 31 31 GLY HA2 H 1 4.4300 0.0000 . 2 . . . . A 252 GLY HA2 . 30691 1 343 . 1 . 1 31 31 GLY HA3 H 1 4.7670 0.0000 . 2 . . . . A 252 GLY HA3 . 30691 1 344 . 1 . 1 31 31 GLY C C 13 171.9320 0.0000 . 1 . . . . A 252 GLY C . 30691 1 345 . 1 . 1 31 31 GLY CA C 13 45.0790 0.0000 . 1 . . . . A 252 GLY CA . 30691 1 346 . 1 . 1 31 31 GLY N N 15 110.4800 0.0000 . 1 . . . . A 252 GLY N . 30691 1 347 . 1 . 1 32 32 VAL H H 1 8.6110 0.0000 . 1 . . . . A 253 VAL H . 30691 1 348 . 1 . 1 32 32 VAL HA H 1 5.0080 0.0000 . 1 . . . . A 253 VAL HA . 30691 1 349 . 1 . 1 32 32 VAL HB H 1 0.7070 0.0000 . 1 . . . . A 253 VAL HB . 30691 1 350 . 1 . 1 32 32 VAL HG11 H 1 0.5620 0.0000 . 2 . . . . A 253 VAL HG11 . 30691 1 351 . 1 . 1 32 32 VAL HG12 H 1 0.5620 0.0000 . 2 . . . . A 253 VAL HG12 . 30691 1 352 . 1 . 1 32 32 VAL HG13 H 1 0.5620 0.0000 . 2 . . . . A 253 VAL HG13 . 30691 1 353 . 1 . 1 32 32 VAL HG21 H 1 0.3500 0.0000 . 2 . . . . A 253 VAL HG21 . 30691 1 354 . 1 . 1 32 32 VAL HG22 H 1 0.3500 0.0000 . 2 . . . . A 253 VAL HG22 . 30691 1 355 . 1 . 1 32 32 VAL HG23 H 1 0.3500 0.0000 . 2 . . . . A 253 VAL HG23 . 30691 1 356 . 1 . 1 32 32 VAL C C 13 174.4140 0.0000 . 1 . . . . A 253 VAL C . 30691 1 357 . 1 . 1 32 32 VAL CA C 13 61.9660 0.0000 . 1 . . . . A 253 VAL CA . 30691 1 358 . 1 . 1 32 32 VAL CB C 13 31.2860 0.0000 . 1 . . . . A 253 VAL CB . 30691 1 359 . 1 . 1 32 32 VAL CG1 C 13 22.2570 0.0000 . 2 . . . . A 253 VAL CG1 . 30691 1 360 . 1 . 1 32 32 VAL CG2 C 13 20.5970 0.0000 . 2 . . . . A 253 VAL CG2 . 30691 1 361 . 1 . 1 32 32 VAL N N 15 124.2540 0.0000 . 1 . . . . A 253 VAL N . 30691 1 362 . 1 . 1 33 33 TRP H H 1 9.3570 0.0000 . 1 . . . . A 254 TRP H . 30691 1 363 . 1 . 1 33 33 TRP HA H 1 5.3040 0.0000 . 1 . . . . A 254 TRP HA . 30691 1 364 . 1 . 1 33 33 TRP HB2 H 1 2.9620 0.0000 . 2 . . . . A 254 TRP HB2 . 30691 1 365 . 1 . 1 33 33 TRP HB3 H 1 3.1550 0.0000 . 2 . . . . A 254 TRP HB3 . 30691 1 366 . 1 . 1 33 33 TRP HD1 H 1 7.3130 0.0000 . 1 . . . . A 254 TRP HD1 . 30691 1 367 . 1 . 1 33 33 TRP HE1 H 1 10.1910 0.0000 . 1 . . . . A 254 TRP HE1 . 30691 1 368 . 1 . 1 33 33 TRP HZ2 H 1 6.8790 0.0000 . 1 . . . . A 254 TRP HZ2 . 30691 1 369 . 1 . 1 33 33 TRP C C 13 175.9060 0.0000 . 1 . . . . A 254 TRP C . 30691 1 370 . 1 . 1 33 33 TRP CA C 13 54.9220 0.0000 . 1 . . . . A 254 TRP CA . 30691 1 371 . 1 . 1 33 33 TRP CB C 13 32.1170 0.0000 . 1 . . . . A 254 TRP CB . 30691 1 372 . 1 . 1 33 33 TRP CD1 C 13 126.6800 0.0000 . 1 . . . . A 254 TRP CD1 . 30691 1 373 . 1 . 1 33 33 TRP CZ2 C 13 113.3670 0.0000 . 1 . . . . A 254 TRP CZ2 . 30691 1 374 . 1 . 1 33 33 TRP N N 15 127.9550 0.0000 . 1 . . . . A 254 TRP N . 30691 1 375 . 1 . 1 33 33 TRP NE1 N 15 129.8580 0.0000 . 1 . . . . A 254 TRP NE1 . 30691 1 376 . 1 . 1 34 34 VAL H H 1 9.7190 0.0000 . 1 . . . . A 255 VAL H . 30691 1 377 . 1 . 1 34 34 VAL HA H 1 5.2260 0.0000 . 1 . . . . A 255 VAL HA . 30691 1 378 . 1 . 1 34 34 VAL HB H 1 1.9820 0.0000 . 1 . . . . A 255 VAL HB . 30691 1 379 . 1 . 1 34 34 VAL HG11 H 1 0.9730 0.0000 . 2 . . . . A 255 VAL HG11 . 30691 1 380 . 1 . 1 34 34 VAL HG12 H 1 0.9730 0.0000 . 2 . . . . A 255 VAL HG12 . 30691 1 381 . 1 . 1 34 34 VAL HG13 H 1 0.9730 0.0000 . 2 . . . . A 255 VAL HG13 . 30691 1 382 . 1 . 1 34 34 VAL HG21 H 1 0.9770 0.0000 . 2 . . . . A 255 VAL HG21 . 30691 1 383 . 1 . 1 34 34 VAL HG22 H 1 0.9770 0.0000 . 2 . . . . A 255 VAL HG22 . 30691 1 384 . 1 . 1 34 34 VAL HG23 H 1 0.9770 0.0000 . 2 . . . . A 255 VAL HG23 . 30691 1 385 . 1 . 1 34 34 VAL C C 13 174.4590 0.0000 . 1 . . . . A 255 VAL C . 30691 1 386 . 1 . 1 34 34 VAL CA C 13 60.2480 0.0000 . 1 . . . . A 255 VAL CA . 30691 1 387 . 1 . 1 34 34 VAL CB C 13 36.2770 0.0000 . 1 . . . . A 255 VAL CB . 30691 1 388 . 1 . 1 34 34 VAL CG1 C 13 21.6980 0.0000 . 2 . . . . A 255 VAL CG1 . 30691 1 389 . 1 . 1 34 34 VAL CG2 C 13 20.8030 0.0000 . 2 . . . . A 255 VAL CG2 . 30691 1 390 . 1 . 1 34 34 VAL N N 15 118.7200 0.0000 . 1 . . . . A 255 VAL N . 30691 1 391 . 1 . 1 35 35 ASP H H 1 8.9650 0.0000 . 1 . . . . A 256 ASP H . 30691 1 392 . 1 . 1 35 35 ASP HA H 1 5.0810 0.0000 . 1 . . . . A 256 ASP HA . 30691 1 393 . 1 . 1 35 35 ASP HB2 H 1 2.6650 0.0000 . 2 . . . . A 256 ASP HB2 . 30691 1 394 . 1 . 1 35 35 ASP HB3 H 1 3.1430 0.0000 . 2 . . . . A 256 ASP HB3 . 30691 1 395 . 1 . 1 35 35 ASP C C 13 176.7690 0.0000 . 1 . . . . A 256 ASP C . 30691 1 396 . 1 . 1 35 35 ASP CA C 13 52.5170 0.0000 . 1 . . . . A 256 ASP CA . 30691 1 397 . 1 . 1 35 35 ASP CB C 13 42.5290 0.0000 . 1 . . . . A 256 ASP CB . 30691 1 398 . 1 . 1 35 35 ASP N N 15 127.1960 0.0000 . 1 . . . . A 256 ASP N . 30691 1 399 . 1 . 1 36 36 VAL H H 1 8.6530 0.0000 . 1 . . . . A 257 VAL H . 30691 1 400 . 1 . 1 36 36 VAL HA H 1 3.9330 0.0000 . 1 . . . . A 257 VAL HA . 30691 1 401 . 1 . 1 36 36 VAL HB H 1 2.1850 0.0000 . 1 . . . . A 257 VAL HB . 30691 1 402 . 1 . 1 36 36 VAL HG11 H 1 1.0130 0.0000 . 2 . . . . A 257 VAL HG11 . 30691 1 403 . 1 . 1 36 36 VAL HG12 H 1 1.0130 0.0000 . 2 . . . . A 257 VAL HG12 . 30691 1 404 . 1 . 1 36 36 VAL HG13 H 1 1.0130 0.0000 . 2 . . . . A 257 VAL HG13 . 30691 1 405 . 1 . 1 36 36 VAL HG21 H 1 1.0250 0.0000 . 2 . . . . A 257 VAL HG21 . 30691 1 406 . 1 . 1 36 36 VAL HG22 H 1 1.0250 0.0000 . 2 . . . . A 257 VAL HG22 . 30691 1 407 . 1 . 1 36 36 VAL HG23 H 1 1.0250 0.0000 . 2 . . . . A 257 VAL HG23 . 30691 1 408 . 1 . 1 36 36 VAL C C 13 177.3690 0.0000 . 1 . . . . A 257 VAL C . 30691 1 409 . 1 . 1 36 36 VAL CA C 13 64.5580 0.0000 . 1 . . . . A 257 VAL CA . 30691 1 410 . 1 . 1 36 36 VAL CB C 13 31.7620 0.0000 . 1 . . . . A 257 VAL CB . 30691 1 411 . 1 . 1 36 36 VAL CG1 C 13 20.9440 0.0000 . 2 . . . . A 257 VAL CG1 . 30691 1 412 . 1 . 1 36 36 VAL CG2 C 13 20.3150 0.0000 . 2 . . . . A 257 VAL CG2 . 30691 1 413 . 1 . 1 36 36 VAL N N 15 122.8290 0.0000 . 1 . . . . A 257 VAL N . 30691 1 414 . 1 . 1 37 37 ASN H H 1 8.3860 0.0000 . 1 . . . . A 258 ASN H . 30691 1 415 . 1 . 1 37 37 ASN HA H 1 4.5700 0.0000 . 1 . . . . A 258 ASN HA . 30691 1 416 . 1 . 1 37 37 ASN HB2 H 1 2.8630 0.0000 . 2 . . . . A 258 ASN HB2 . 30691 1 417 . 1 . 1 37 37 ASN HB3 H 1 3.0470 0.0000 . 2 . . . . A 258 ASN HB3 . 30691 1 418 . 1 . 1 37 37 ASN C C 13 177.0380 0.0000 . 1 . . . . A 258 ASN C . 30691 1 419 . 1 . 1 37 37 ASN CA C 13 55.7680 0.0000 . 1 . . . . A 258 ASN CA . 30691 1 420 . 1 . 1 37 37 ASN CB C 13 38.2050 0.0000 . 1 . . . . A 258 ASN CB . 30691 1 421 . 1 . 1 37 37 ASN N N 15 119.4280 0.0000 . 1 . . . . A 258 ASN N . 30691 1 422 . 1 . 1 38 38 GLN H H 1 7.9090 0.0000 . 1 . . . . A 259 GLN H . 30691 1 423 . 1 . 1 38 38 GLN HA H 1 4.3460 0.0000 . 1 . . . . A 259 GLN HA . 30691 1 424 . 1 . 1 38 38 GLN HB2 H 1 1.6880 0.0000 . 2 . . . . A 259 GLN HB2 . 30691 1 425 . 1 . 1 38 38 GLN HB3 H 1 1.6880 0.0000 . 2 . . . . A 259 GLN HB3 . 30691 1 426 . 1 . 1 38 38 GLN HG2 H 1 2.2160 0.0000 . 2 . . . . A 259 GLN HG2 . 30691 1 427 . 1 . 1 38 38 GLN HG3 H 1 2.5390 0.0000 . 2 . . . . A 259 GLN HG3 . 30691 1 428 . 1 . 1 38 38 GLN C C 13 176.4690 0.0000 . 1 . . . . A 259 GLN C . 30691 1 429 . 1 . 1 38 38 GLN CA C 13 56.2520 0.0000 . 1 . . . . A 259 GLN CA . 30691 1 430 . 1 . 1 38 38 GLN CB C 13 31.1890 0.0000 . 1 . . . . A 259 GLN CB . 30691 1 431 . 1 . 1 38 38 GLN CG C 13 34.7780 0.0000 . 1 . . . . A 259 GLN CG . 30691 1 432 . 1 . 1 38 38 GLN N N 15 114.9410 0.0000 . 1 . . . . A 259 GLN N . 30691 1 433 . 1 . 1 39 39 GLY H H 1 8.0530 0.0000 . 1 . . . . A 260 GLY H . 30691 1 434 . 1 . 1 39 39 GLY HA2 H 1 3.6440 0.0000 . 2 . . . . A 260 GLY HA2 . 30691 1 435 . 1 . 1 39 39 GLY HA3 H 1 3.7940 0.0000 . 2 . . . . A 260 GLY HA3 . 30691 1 436 . 1 . 1 39 39 GLY C C 13 173.9440 0.0000 . 1 . . . . A 260 GLY C . 30691 1 437 . 1 . 1 39 39 GLY CA C 13 46.1420 0.0000 . 1 . . . . A 260 GLY CA . 30691 1 438 . 1 . 1 39 39 GLY N N 15 108.3100 0.0000 . 1 . . . . A 260 GLY N . 30691 1 439 . 1 . 1 40 40 LEU H H 1 6.9010 0.0000 . 1 . . . . A 261 LEU H . 30691 1 440 . 1 . 1 40 40 LEU HA H 1 4.9630 0.0000 . 1 . . . . A 261 LEU HA . 30691 1 441 . 1 . 1 40 40 LEU HB2 H 1 0.7260 0.0000 . 2 . . . . A 261 LEU HB2 . 30691 1 442 . 1 . 1 40 40 LEU HB3 H 1 1.3680 0.0000 . 2 . . . . A 261 LEU HB3 . 30691 1 443 . 1 . 1 40 40 LEU HD11 H 1 0.7860 0.0000 . 2 . . . . A 261 LEU HD11 . 30691 1 444 . 1 . 1 40 40 LEU HD12 H 1 0.7860 0.0000 . 2 . . . . A 261 LEU HD12 . 30691 1 445 . 1 . 1 40 40 LEU HD13 H 1 0.7860 0.0000 . 2 . . . . A 261 LEU HD13 . 30691 1 446 . 1 . 1 40 40 LEU HD21 H 1 0.7570 0.0000 . 2 . . . . A 261 LEU HD21 . 30691 1 447 . 1 . 1 40 40 LEU HD22 H 1 0.7570 0.0000 . 2 . . . . A 261 LEU HD22 . 30691 1 448 . 1 . 1 40 40 LEU HD23 H 1 0.7570 0.0000 . 2 . . . . A 261 LEU HD23 . 30691 1 449 . 1 . 1 40 40 LEU CA C 13 53.1110 0.0000 . 1 . . . . A 261 LEU CA . 30691 1 450 . 1 . 1 40 40 LEU CB C 13 45.9510 0.0000 . 1 . . . . A 261 LEU CB . 30691 1 451 . 1 . 1 40 40 LEU CD1 C 13 25.4720 0.0000 . 2 . . . . A 261 LEU CD1 . 30691 1 452 . 1 . 1 40 40 LEU CD2 C 13 22.9410 0.0000 . 2 . . . . A 261 LEU CD2 . 30691 1 453 . 1 . 1 40 40 LEU N N 15 116.1540 0.0000 . 1 . . . . A 261 LEU N . 30691 1 454 . 1 . 1 41 41 MET H H 1 8.2010 0.0000 . 1 . . . . A 262 MET H . 30691 1 455 . 1 . 1 41 41 MET HA H 1 5.2050 0.0000 . 1 . . . . A 262 MET HA . 30691 1 456 . 1 . 1 41 41 MET HB2 H 1 1.7650 0.0000 . 2 . . . . A 262 MET HB2 . 30691 1 457 . 1 . 1 41 41 MET HB3 H 1 1.7650 0.0000 . 2 . . . . A 262 MET HB3 . 30691 1 458 . 1 . 1 41 41 MET HG2 H 1 2.2660 0.0000 . 2 . . . . A 262 MET HG2 . 30691 1 459 . 1 . 1 41 41 MET HG3 H 1 2.2660 0.0000 . 2 . . . . A 262 MET HG3 . 30691 1 460 . 1 . 1 41 41 MET HE1 H 1 1.9350 0.0000 . 1 . . . . A 262 MET HE1 . 30691 1 461 . 1 . 1 41 41 MET HE2 H 1 1.9350 0.0000 . 1 . . . . A 262 MET HE2 . 30691 1 462 . 1 . 1 41 41 MET HE3 H 1 1.9350 0.0000 . 1 . . . . A 262 MET HE3 . 30691 1 463 . 1 . 1 41 41 MET C C 13 173.0500 0.0000 . 1 . . . . A 262 MET C . 30691 1 464 . 1 . 1 41 41 MET CA C 13 53.9720 0.0000 . 1 . . . . A 262 MET CA . 30691 1 465 . 1 . 1 41 41 MET CB C 13 37.1520 0.0000 . 1 . . . . A 262 MET CB . 30691 1 466 . 1 . 1 41 41 MET CG C 13 32.6380 0.0000 . 1 . . . . A 262 MET CG . 30691 1 467 . 1 . 1 41 41 MET CE C 13 16.8390 0.0000 . 1 . . . . A 262 MET CE . 30691 1 468 . 1 . 1 41 41 MET N N 15 119.9780 0.0000 . 1 . . . . A 262 MET N . 30691 1 469 . 1 . 1 42 42 TYR H H 1 9.4290 0.0000 . 1 . . . . A 263 TYR H . 30691 1 470 . 1 . 1 42 42 TYR HA H 1 5.1550 0.0000 . 1 . . . . A 263 TYR HA . 30691 1 471 . 1 . 1 42 42 TYR HB2 H 1 2.5030 0.0000 . 2 . . . . A 263 TYR HB2 . 30691 1 472 . 1 . 1 42 42 TYR HB3 H 1 3.1350 0.0000 . 2 . . . . A 263 TYR HB3 . 30691 1 473 . 1 . 1 42 42 TYR HD1 H 1 6.8670 0.0000 . 3 . . . . A 263 TYR HD1 . 30691 1 474 . 1 . 1 42 42 TYR HD2 H 1 6.8670 0.0000 . 3 . . . . A 263 TYR HD2 . 30691 1 475 . 1 . 1 42 42 TYR HE1 H 1 6.4800 0.0000 . 3 . . . . A 263 TYR HE1 . 30691 1 476 . 1 . 1 42 42 TYR HE2 H 1 6.4800 0.0000 . 3 . . . . A 263 TYR HE2 . 30691 1 477 . 1 . 1 42 42 TYR C C 13 175.4690 0.0000 . 1 . . . . A 263 TYR C . 30691 1 478 . 1 . 1 42 42 TYR CA C 13 56.6120 0.0000 . 1 . . . . A 263 TYR CA . 30691 1 479 . 1 . 1 42 42 TYR CB C 13 42.1850 0.0000 . 1 . . . . A 263 TYR CB . 30691 1 480 . 1 . 1 42 42 TYR CD1 C 13 133.9420 0.0000 . 3 . . . . A 263 TYR CD1 . 30691 1 481 . 1 . 1 42 42 TYR CD2 C 13 133.9420 0.0000 . 3 . . . . A 263 TYR CD2 . 30691 1 482 . 1 . 1 42 42 TYR CE1 C 13 118.0010 0.0000 . 3 . . . . A 263 TYR CE1 . 30691 1 483 . 1 . 1 42 42 TYR CE2 C 13 118.0010 0.0000 . 3 . . . . A 263 TYR CE2 . 30691 1 484 . 1 . 1 42 42 TYR N N 15 120.4300 0.0000 . 1 . . . . A 263 TYR N . 30691 1 485 . 1 . 1 43 43 ILE H H 1 8.5290 0.0000 . 1 . . . . A 264 ILE H . 30691 1 486 . 1 . 1 43 43 ILE HA H 1 5.4140 0.0000 . 1 . . . . A 264 ILE HA . 30691 1 487 . 1 . 1 43 43 ILE HB H 1 1.9550 0.0000 . 1 . . . . A 264 ILE HB . 30691 1 488 . 1 . 1 43 43 ILE HG12 H 1 1.1760 0.0000 . 2 . . . . A 264 ILE HG12 . 30691 1 489 . 1 . 1 43 43 ILE HG13 H 1 1.7010 0.0000 . 2 . . . . A 264 ILE HG13 . 30691 1 490 . 1 . 1 43 43 ILE HG21 H 1 1.1090 0.0000 . 1 . . . . A 264 ILE HG21 . 30691 1 491 . 1 . 1 43 43 ILE HG22 H 1 1.1090 0.0000 . 1 . . . . A 264 ILE HG22 . 30691 1 492 . 1 . 1 43 43 ILE HG23 H 1 1.1090 0.0000 . 1 . . . . A 264 ILE HG23 . 30691 1 493 . 1 . 1 43 43 ILE HD11 H 1 0.9360 0.0000 . 1 . . . . A 264 ILE HD11 . 30691 1 494 . 1 . 1 43 43 ILE HD12 H 1 0.9360 0.0000 . 1 . . . . A 264 ILE HD12 . 30691 1 495 . 1 . 1 43 43 ILE HD13 H 1 0.9360 0.0000 . 1 . . . . A 264 ILE HD13 . 30691 1 496 . 1 . 1 43 43 ILE C C 13 173.9010 0.0000 . 1 . . . . A 264 ILE C . 30691 1 497 . 1 . 1 43 43 ILE CA C 13 60.0850 0.0000 . 1 . . . . A 264 ILE CA . 30691 1 498 . 1 . 1 43 43 ILE CB C 13 38.4030 0.0000 . 1 . . . . A 264 ILE CB . 30691 1 499 . 1 . 1 43 43 ILE CG1 C 13 27.4610 0.0000 . 1 . . . . A 264 ILE CG1 . 30691 1 500 . 1 . 1 43 43 ILE CG2 C 13 19.7270 0.0000 . 1 . . . . A 264 ILE CG2 . 30691 1 501 . 1 . 1 43 43 ILE CD1 C 13 13.2260 0.0000 . 1 . . . . A 264 ILE CD1 . 30691 1 502 . 1 . 1 43 43 ILE N N 15 119.7780 0.0000 . 1 . . . . A 264 ILE N . 30691 1 503 . 1 . 1 44 44 ASP H H 1 9.6830 0.0000 . 1 . . . . A 265 ASP H . 30691 1 504 . 1 . 1 44 44 ASP HA H 1 5.1220 0.0000 . 1 . . . . A 265 ASP HA . 30691 1 505 . 1 . 1 44 44 ASP HB2 H 1 2.5160 0.0000 . 2 . . . . A 265 ASP HB2 . 30691 1 506 . 1 . 1 44 44 ASP HB3 H 1 2.9510 0.0000 . 2 . . . . A 265 ASP HB3 . 30691 1 507 . 1 . 1 44 44 ASP C C 13 175.2380 0.0000 . 1 . . . . A 265 ASP C . 30691 1 508 . 1 . 1 44 44 ASP CA C 13 52.0790 0.0000 . 1 . . . . A 265 ASP CA . 30691 1 509 . 1 . 1 44 44 ASP CB C 13 46.0920 0.0000 . 1 . . . . A 265 ASP CB . 30691 1 510 . 1 . 1 44 44 ASP N N 15 129.6710 0.0000 . 1 . . . . A 265 ASP N . 30691 1 511 . 1 . 1 45 45 THR H H 1 9.4230 0.0000 . 1 . . . . A 266 THR H . 30691 1 512 . 1 . 1 45 45 THR HA H 1 4.6650 0.0000 . 1 . . . . A 266 THR HA . 30691 1 513 . 1 . 1 45 45 THR HB H 1 4.5460 0.0000 . 1 . . . . A 266 THR HB . 30691 1 514 . 1 . 1 45 45 THR HG21 H 1 1.4810 0.0000 . 1 . . . . A 266 THR HG21 . 30691 1 515 . 1 . 1 45 45 THR HG22 H 1 1.4810 0.0000 . 1 . . . . A 266 THR HG22 . 30691 1 516 . 1 . 1 45 45 THR HG23 H 1 1.4810 0.0000 . 1 . . . . A 266 THR HG23 . 30691 1 517 . 1 . 1 45 45 THR C C 13 176.2230 0.0000 . 1 . . . . A 266 THR C . 30691 1 518 . 1 . 1 45 45 THR CA C 13 62.8890 0.0000 . 1 . . . . A 266 THR CA . 30691 1 519 . 1 . 1 45 45 THR CB C 13 68.8000 0.0000 . 1 . . . . A 266 THR CB . 30691 1 520 . 1 . 1 45 45 THR CG2 C 13 23.0780 0.0000 . 1 . . . . A 266 THR CG2 . 30691 1 521 . 1 . 1 45 45 THR N N 15 112.6090 0.0000 . 1 . . . . A 266 THR N . 30691 1 522 . 1 . 1 46 46 ALA H H 1 7.5590 0.0000 . 1 . . . . A 267 ALA H . 30691 1 523 . 1 . 1 46 46 ALA HA H 1 4.5720 0.0000 . 1 . . . . A 267 ALA HA . 30691 1 524 . 1 . 1 46 46 ALA HB1 H 1 1.3800 0.0000 . 1 . . . . A 267 ALA HB1 . 30691 1 525 . 1 . 1 46 46 ALA HB2 H 1 1.3800 0.0000 . 1 . . . . A 267 ALA HB2 . 30691 1 526 . 1 . 1 46 46 ALA HB3 H 1 1.3800 0.0000 . 1 . . . . A 267 ALA HB3 . 30691 1 527 . 1 . 1 46 46 ALA C C 13 176.4130 0.0000 . 1 . . . . A 267 ALA C . 30691 1 528 . 1 . 1 46 46 ALA CA C 13 52.1300 0.0000 . 1 . . . . A 267 ALA CA . 30691 1 529 . 1 . 1 46 46 ALA CB C 13 19.2660 0.0000 . 1 . . . . A 267 ALA CB . 30691 1 530 . 1 . 1 46 46 ALA N N 15 125.8600 0.0000 . 1 . . . . A 267 ALA N . 30691 1 531 . 1 . 1 47 47 HIS H H 1 8.2410 0.0000 . 1 . . . . A 268 HIS H . 30691 1 532 . 1 . 1 47 47 HIS HA H 1 4.4470 0.0000 . 1 . . . . A 268 HIS HA . 30691 1 533 . 1 . 1 47 47 HIS HB2 H 1 2.8030 0.0000 . 2 . . . . A 268 HIS HB2 . 30691 1 534 . 1 . 1 47 47 HIS HB3 H 1 2.9550 0.0000 . 2 . . . . A 268 HIS HB3 . 30691 1 535 . 1 . 1 47 47 HIS HD2 H 1 7.0690 0.0000 . 1 . . . . A 268 HIS HD2 . 30691 1 536 . 1 . 1 47 47 HIS CA C 13 54.5970 0.0000 . 1 . . . . A 268 HIS CA . 30691 1 537 . 1 . 1 47 47 HIS CB C 13 31.7550 0.0000 . 1 . . . . A 268 HIS CB . 30691 1 538 . 1 . 1 47 47 HIS CD2 C 13 121.6570 0.0000 . 1 . . . . A 268 HIS CD2 . 30691 1 539 . 1 . 1 47 47 HIS N N 15 117.1650 0.0000 . 1 . . . . A 268 HIS N . 30691 1 540 . 1 . 1 49 49 PRO HA H 1 4.4420 0.0000 . 1 . . . . A 270 PRO HA . 30691 1 541 . 1 . 1 49 49 PRO HB2 H 1 2.0290 0.0000 . 2 . . . . A 270 PRO HB2 . 30691 1 542 . 1 . 1 49 49 PRO HB3 H 1 2.3010 0.0000 . 2 . . . . A 270 PRO HB3 . 30691 1 543 . 1 . 1 49 49 PRO HG2 H 1 1.7820 0.0000 . 2 . . . . A 270 PRO HG2 . 30691 1 544 . 1 . 1 49 49 PRO HG3 H 1 1.8840 0.0000 . 2 . . . . A 270 PRO HG3 . 30691 1 545 . 1 . 1 49 49 PRO HD2 H 1 3.7080 0.0000 . 2 . . . . A 270 PRO HD2 . 30691 1 546 . 1 . 1 49 49 PRO HD3 H 1 3.7400 0.0000 . 2 . . . . A 270 PRO HD3 . 30691 1 547 . 1 . 1 49 49 PRO C C 13 177.1480 0.0000 . 1 . . . . A 270 PRO C . 30691 1 548 . 1 . 1 49 49 PRO CA C 13 63.7860 0.0000 . 1 . . . . A 270 PRO CA . 30691 1 549 . 1 . 1 49 49 PRO CB C 13 32.1450 0.0000 . 1 . . . . A 270 PRO CB . 30691 1 550 . 1 . 1 49 49 PRO CG C 13 26.5450 0.0000 . 1 . . . . A 270 PRO CG . 30691 1 551 . 1 . 1 49 49 PRO CD C 13 51.0370 0.0000 . 1 . . . . A 270 PRO CD . 30691 1 552 . 1 . 1 50 50 SER H H 1 8.2590 0.0000 . 1 . . . . A 271 SER H . 30691 1 553 . 1 . 1 50 50 SER HA H 1 4.4680 0.0000 . 1 . . . . A 271 SER HA . 30691 1 554 . 1 . 1 50 50 SER HB2 H 1 3.8440 0.0000 . 2 . . . . A 271 SER HB2 . 30691 1 555 . 1 . 1 50 50 SER HB3 H 1 3.9480 0.0000 . 2 . . . . A 271 SER HB3 . 30691 1 556 . 1 . 1 50 50 SER C C 13 174.6240 0.0000 . 1 . . . . A 271 SER C . 30691 1 557 . 1 . 1 50 50 SER CA C 13 58.5760 0.0000 . 1 . . . . A 271 SER CA . 30691 1 558 . 1 . 1 50 50 SER CB C 13 63.9720 0.0000 . 1 . . . . A 271 SER CB . 30691 1 559 . 1 . 1 50 50 SER N N 15 114.6080 0.0000 . 1 . . . . A 271 SER N . 30691 1 560 . 1 . 1 51 51 THR H H 1 7.1020 0.0000 . 1 . . . . A 272 THR H . 30691 1 561 . 1 . 1 51 51 THR HA H 1 4.2000 0.0000 . 1 . . . . A 272 THR HA . 30691 1 562 . 1 . 1 51 51 THR HB H 1 4.2050 0.0000 . 1 . . . . A 272 THR HB . 30691 1 563 . 1 . 1 51 51 THR HG21 H 1 1.1960 0.0000 . 1 . . . . A 272 THR HG21 . 30691 1 564 . 1 . 1 51 51 THR HG22 H 1 1.1960 0.0000 . 1 . . . . A 272 THR HG22 . 30691 1 565 . 1 . 1 51 51 THR HG23 H 1 1.1960 0.0000 . 1 . . . . A 272 THR HG23 . 30691 1 566 . 1 . 1 51 51 THR C C 13 173.3500 0.0000 . 1 . . . . A 272 THR C . 30691 1 567 . 1 . 1 51 51 THR CA C 13 62.5950 0.0000 . 1 . . . . A 272 THR CA . 30691 1 568 . 1 . 1 51 51 THR CB C 13 69.1560 0.0000 . 1 . . . . A 272 THR CB . 30691 1 569 . 1 . 1 51 51 THR CG2 C 13 20.4620 0.0000 . 1 . . . . A 272 THR CG2 . 30691 1 570 . 1 . 1 51 51 THR N N 15 116.5570 0.0000 . 1 . . . . A 272 THR N . 30691 1 571 . 1 . 1 52 52 LYS H H 1 8.5220 0.0000 . 1 . . . . A 273 LYS H . 30691 1 572 . 1 . 1 52 52 LYS HA H 1 4.5260 0.0000 . 1 . . . . A 273 LYS HA . 30691 1 573 . 1 . 1 52 52 LYS HB2 H 1 1.7480 0.0000 . 2 . . . . A 273 LYS HB2 . 30691 1 574 . 1 . 1 52 52 LYS HB3 H 1 1.7480 0.0000 . 2 . . . . A 273 LYS HB3 . 30691 1 575 . 1 . 1 52 52 LYS HG2 H 1 1.5120 0.0000 . 2 . . . . A 273 LYS HG2 . 30691 1 576 . 1 . 1 52 52 LYS HG3 H 1 1.5120 0.0000 . 2 . . . . A 273 LYS HG3 . 30691 1 577 . 1 . 1 52 52 LYS HD2 H 1 1.9900 0.0000 . 2 . . . . A 273 LYS HD2 . 30691 1 578 . 1 . 1 52 52 LYS HD3 H 1 1.9900 0.0000 . 2 . . . . A 273 LYS HD3 . 30691 1 579 . 1 . 1 52 52 LYS C C 13 177.7130 0.0000 . 1 . . . . A 273 LYS C . 30691 1 580 . 1 . 1 52 52 LYS CA C 13 55.9390 0.0000 . 1 . . . . A 273 LYS CA . 30691 1 581 . 1 . 1 52 52 LYS CB C 13 32.3480 0.0000 . 1 . . . . A 273 LYS CB . 30691 1 582 . 1 . 1 52 52 LYS CG C 13 24.8220 0.0000 . 1 . . . . A 273 LYS CG . 30691 1 583 . 1 . 1 52 52 LYS CD C 13 28.6920 0.0000 . 1 . . . . A 273 LYS CD . 30691 1 584 . 1 . 1 52 52 LYS CE C 13 42.0680 0.0000 . 1 . . . . A 273 LYS CE . 30691 1 585 . 1 . 1 52 52 LYS N N 15 123.1480 0.0000 . 1 . . . . A 273 LYS N . 30691 1 586 . 1 . 1 53 53 ASN H H 1 8.8020 0.0000 . 1 . . . . A 274 ASN H . 30691 1 587 . 1 . 1 53 53 ASN HA H 1 4.7380 0.0000 . 1 . . . . A 274 ASN HA . 30691 1 588 . 1 . 1 53 53 ASN HB2 H 1 2.6250 0.0000 . 2 . . . . A 274 ASN HB2 . 30691 1 589 . 1 . 1 53 53 ASN HB3 H 1 3.0790 0.0000 . 2 . . . . A 274 ASN HB3 . 30691 1 590 . 1 . 1 53 53 ASN C C 13 171.2500 0.0000 . 1 . . . . A 274 ASN C . 30691 1 591 . 1 . 1 53 53 ASN CA C 13 51.9470 0.0000 . 1 . . . . A 274 ASN CA . 30691 1 592 . 1 . 1 53 53 ASN CB C 13 37.7150 0.0000 . 1 . . . . A 274 ASN CB . 30691 1 593 . 1 . 1 53 53 ASN N N 15 123.1710 0.0000 . 1 . . . . A 274 ASN N . 30691 1 594 . 1 . 1 54 54 VAL H H 1 7.0610 0.0000 . 1 . . . . A 275 VAL H . 30691 1 595 . 1 . 1 54 54 VAL HA H 1 4.6360 0.0000 . 1 . . . . A 275 VAL HA . 30691 1 596 . 1 . 1 54 54 VAL HB H 1 1.7520 0.0000 . 1 . . . . A 275 VAL HB . 30691 1 597 . 1 . 1 54 54 VAL HG11 H 1 0.7260 0.0000 . 2 . . . . A 275 VAL HG11 . 30691 1 598 . 1 . 1 54 54 VAL HG12 H 1 0.7260 0.0000 . 2 . . . . A 275 VAL HG12 . 30691 1 599 . 1 . 1 54 54 VAL HG13 H 1 0.7260 0.0000 . 2 . . . . A 275 VAL HG13 . 30691 1 600 . 1 . 1 54 54 VAL HG21 H 1 0.7220 0.0000 . 2 . . . . A 275 VAL HG21 . 30691 1 601 . 1 . 1 54 54 VAL HG22 H 1 0.7220 0.0000 . 2 . . . . A 275 VAL HG22 . 30691 1 602 . 1 . 1 54 54 VAL HG23 H 1 0.7220 0.0000 . 2 . . . . A 275 VAL HG23 . 30691 1 603 . 1 . 1 54 54 VAL C C 13 174.7110 0.0000 . 1 . . . . A 275 VAL C . 30691 1 604 . 1 . 1 54 54 VAL CA C 13 59.5990 0.0000 . 1 . . . . A 275 VAL CA . 30691 1 605 . 1 . 1 54 54 VAL CB C 13 33.6640 0.0000 . 1 . . . . A 275 VAL CB . 30691 1 606 . 1 . 1 54 54 VAL CG1 C 13 21.4010 0.0000 . 2 . . . . A 275 VAL CG1 . 30691 1 607 . 1 . 1 54 54 VAL CG2 C 13 19.7650 0.0000 . 2 . . . . A 275 VAL CG2 . 30691 1 608 . 1 . 1 54 54 VAL N N 15 119.6640 0.0000 . 1 . . . . A 275 VAL N . 30691 1 609 . 1 . 1 55 55 TYR H H 1 8.4240 0.0000 . 1 . . . . A 276 TYR H . 30691 1 610 . 1 . 1 55 55 TYR HA H 1 5.0390 0.0000 . 1 . . . . A 276 TYR HA . 30691 1 611 . 1 . 1 55 55 TYR HB2 H 1 2.7800 0.0000 . 2 . . . . A 276 TYR HB2 . 30691 1 612 . 1 . 1 55 55 TYR HB3 H 1 2.9930 0.0000 . 2 . . . . A 276 TYR HB3 . 30691 1 613 . 1 . 1 55 55 TYR HD1 H 1 7.0630 0.0000 . 3 . . . . A 276 TYR HD1 . 30691 1 614 . 1 . 1 55 55 TYR HD2 H 1 7.0630 0.0000 . 3 . . . . A 276 TYR HD2 . 30691 1 615 . 1 . 1 55 55 TYR HE1 H 1 6.5390 0.0000 . 3 . . . . A 276 TYR HE1 . 30691 1 616 . 1 . 1 55 55 TYR HE2 H 1 6.5390 0.0000 . 3 . . . . A 276 TYR HE2 . 30691 1 617 . 1 . 1 55 55 TYR C C 13 174.5800 0.0000 . 1 . . . . A 276 TYR C . 30691 1 618 . 1 . 1 55 55 TYR CA C 13 56.2930 0.0000 . 1 . . . . A 276 TYR CA . 30691 1 619 . 1 . 1 55 55 TYR CB C 13 39.7500 0.0000 . 1 . . . . A 276 TYR CB . 30691 1 620 . 1 . 1 55 55 TYR CD1 C 13 133.1810 0.0000 . 3 . . . . A 276 TYR CD1 . 30691 1 621 . 1 . 1 55 55 TYR CD2 C 13 133.1810 0.0000 . 3 . . . . A 276 TYR CD2 . 30691 1 622 . 1 . 1 55 55 TYR CE1 C 13 117.6320 0.0000 . 3 . . . . A 276 TYR CE1 . 30691 1 623 . 1 . 1 55 55 TYR CE2 C 13 117.6320 0.0000 . 3 . . . . A 276 TYR CE2 . 30691 1 624 . 1 . 1 55 55 TYR N N 15 128.0980 0.0000 . 1 . . . . A 276 TYR N . 30691 1 625 . 1 . 1 56 56 THR H H 1 8.6920 0.0000 . 1 . . . . A 277 THR H . 30691 1 626 . 1 . 1 56 56 THR HA H 1 4.8700 0.0000 . 1 . . . . A 277 THR HA . 30691 1 627 . 1 . 1 56 56 THR HB H 1 4.1500 0.0000 . 1 . . . . A 277 THR HB . 30691 1 628 . 1 . 1 56 56 THR HG21 H 1 1.1810 0.0000 . 1 . . . . A 277 THR HG21 . 30691 1 629 . 1 . 1 56 56 THR HG22 H 1 1.1810 0.0000 . 1 . . . . A 277 THR HG22 . 30691 1 630 . 1 . 1 56 56 THR HG23 H 1 1.1810 0.0000 . 1 . . . . A 277 THR HG23 . 30691 1 631 . 1 . 1 56 56 THR C C 13 173.8200 0.0000 . 1 . . . . A 277 THR C . 30691 1 632 . 1 . 1 56 56 THR CA C 13 62.1710 0.0000 . 1 . . . . A 277 THR CA . 30691 1 633 . 1 . 1 56 56 THR CB C 13 69.0900 0.0000 . 1 . . . . A 277 THR CB . 30691 1 634 . 1 . 1 56 56 THR CG2 C 13 21.1840 0.0000 . 1 . . . . A 277 THR CG2 . 30691 1 635 . 1 . 1 56 56 THR N N 15 121.6220 0.0000 . 1 . . . . A 277 THR N . 30691 1 636 . 1 . 1 57 57 LEU H H 1 9.0470 0.0000 . 1 . . . . A 278 LEU H . 30691 1 637 . 1 . 1 57 57 LEU HA H 1 4.9460 0.0000 . 1 . . . . A 278 LEU HA . 30691 1 638 . 1 . 1 57 57 LEU HB2 H 1 1.6120 0.0000 . 2 . . . . A 278 LEU HB2 . 30691 1 639 . 1 . 1 57 57 LEU HB3 H 1 1.8350 0.0000 . 2 . . . . A 278 LEU HB3 . 30691 1 640 . 1 . 1 57 57 LEU HD11 H 1 0.8790 0.0000 . 2 . . . . A 278 LEU HD11 . 30691 1 641 . 1 . 1 57 57 LEU HD12 H 1 0.8790 0.0000 . 2 . . . . A 278 LEU HD12 . 30691 1 642 . 1 . 1 57 57 LEU HD13 H 1 0.8790 0.0000 . 2 . . . . A 278 LEU HD13 . 30691 1 643 . 1 . 1 57 57 LEU HD21 H 1 0.8560 0.0000 . 2 . . . . A 278 LEU HD21 . 30691 1 644 . 1 . 1 57 57 LEU HD22 H 1 0.8560 0.0000 . 2 . . . . A 278 LEU HD22 . 30691 1 645 . 1 . 1 57 57 LEU HD23 H 1 0.8560 0.0000 . 2 . . . . A 278 LEU HD23 . 30691 1 646 . 1 . 1 57 57 LEU C C 13 175.7300 0.0000 . 1 . . . . A 278 LEU C . 30691 1 647 . 1 . 1 57 57 LEU CA C 13 54.2100 0.0000 . 1 . . . . A 278 LEU CA . 30691 1 648 . 1 . 1 57 57 LEU CB C 13 43.9620 0.0000 . 1 . . . . A 278 LEU CB . 30691 1 649 . 1 . 1 57 57 LEU CG C 13 27.4510 0.0000 . 1 . . . . A 278 LEU CG . 30691 1 650 . 1 . 1 57 57 LEU CD1 C 13 26.2960 0.0000 . 2 . . . . A 278 LEU CD1 . 30691 1 651 . 1 . 1 57 57 LEU CD2 C 13 24.0510 0.0000 . 2 . . . . A 278 LEU CD2 . 30691 1 652 . 1 . 1 57 57 LEU N N 15 127.9160 0.0000 . 1 . . . . A 278 LEU N . 30691 1 653 . 1 . 1 58 58 THR H H 1 8.4860 0.0000 . 1 . . . . A 279 THR H . 30691 1 654 . 1 . 1 58 58 THR HA H 1 4.8330 0.0000 . 1 . . . . A 279 THR HA . 30691 1 655 . 1 . 1 58 58 THR HB H 1 4.3080 0.0000 . 1 . . . . A 279 THR HB . 30691 1 656 . 1 . 1 58 58 THR HG21 H 1 1.2080 0.0000 . 1 . . . . A 279 THR HG21 . 30691 1 657 . 1 . 1 58 58 THR HG22 H 1 1.2080 0.0000 . 1 . . . . A 279 THR HG22 . 30691 1 658 . 1 . 1 58 58 THR HG23 H 1 1.2080 0.0000 . 1 . . . . A 279 THR HG23 . 30691 1 659 . 1 . 1 58 58 THR C C 13 174.5760 0.0000 . 1 . . . . A 279 THR C . 30691 1 660 . 1 . 1 58 58 THR CA C 13 59.9580 0.0000 . 1 . . . . A 279 THR CA . 30691 1 661 . 1 . 1 58 58 THR CB C 13 71.2440 0.0000 . 1 . . . . A 279 THR CB . 30691 1 662 . 1 . 1 58 58 THR CG2 C 13 21.5440 0.0000 . 1 . . . . A 279 THR CG2 . 30691 1 663 . 1 . 1 58 58 THR N N 15 114.8070 0.0000 . 1 . . . . A 279 THR N . 30691 1 664 . 1 . 1 59 59 THR H H 1 8.6920 0.0000 . 1 . . . . A 280 THR H . 30691 1 665 . 1 . 1 59 59 THR HA H 1 4.3670 0.0000 . 1 . . . . A 280 THR HA . 30691 1 666 . 1 . 1 59 59 THR HB H 1 4.3650 0.0000 . 1 . . . . A 280 THR HB . 30691 1 667 . 1 . 1 59 59 THR HG21 H 1 1.2440 0.0000 . 1 . . . . A 280 THR HG21 . 30691 1 668 . 1 . 1 59 59 THR HG22 H 1 1.2440 0.0000 . 1 . . . . A 280 THR HG22 . 30691 1 669 . 1 . 1 59 59 THR HG23 H 1 1.2440 0.0000 . 1 . . . . A 280 THR HG23 . 30691 1 670 . 1 . 1 59 59 THR C C 13 175.0720 0.0000 . 1 . . . . A 280 THR C . 30691 1 671 . 1 . 1 59 59 THR CA C 13 62.8360 0.0000 . 1 . . . . A 280 THR CA . 30691 1 672 . 1 . 1 59 59 THR CB C 13 69.3110 0.0000 . 1 . . . . A 280 THR CB . 30691 1 673 . 1 . 1 59 59 THR CG2 C 13 22.0230 0.0000 . 1 . . . . A 280 THR CG2 . 30691 1 674 . 1 . 1 59 59 THR N N 15 115.2640 0.0000 . 1 . . . . A 280 THR N . 30691 1 675 . 1 . 1 60 60 ASP H H 1 8.2110 0.0000 . 1 . . . . A 281 ASP H . 30691 1 676 . 1 . 1 60 60 ASP HA H 1 4.5540 0.0000 . 1 . . . . A 281 ASP HA . 30691 1 677 . 1 . 1 60 60 ASP HB2 H 1 2.7090 0.0000 . 2 . . . . A 281 ASP HB2 . 30691 1 678 . 1 . 1 60 60 ASP HB3 H 1 2.7090 0.0000 . 2 . . . . A 281 ASP HB3 . 30691 1 679 . 1 . 1 60 60 ASP C C 13 176.4060 0.0000 . 1 . . . . A 281 ASP C . 30691 1 680 . 1 . 1 60 60 ASP CA C 13 55.3700 0.0000 . 1 . . . . A 281 ASP CA . 30691 1 681 . 1 . 1 60 60 ASP CB C 13 41.2850 0.0000 . 1 . . . . A 281 ASP CB . 30691 1 682 . 1 . 1 60 60 ASP N N 15 120.7460 0.0000 . 1 . . . . A 281 ASP N . 30691 1 683 . 1 . 1 61 61 ASP H H 1 8.0250 0.0000 . 1 . . . . A 282 ASP H . 30691 1 684 . 1 . 1 61 61 ASP HA H 1 4.5420 0.0000 . 1 . . . . A 282 ASP HA . 30691 1 685 . 1 . 1 61 61 ASP HB2 H 1 2.7400 0.0000 . 2 . . . . A 282 ASP HB2 . 30691 1 686 . 1 . 1 61 61 ASP HB3 H 1 2.7400 0.0000 . 2 . . . . A 282 ASP HB3 . 30691 1 687 . 1 . 1 61 61 ASP C C 13 176.5510 0.0000 . 1 . . . . A 282 ASP C . 30691 1 688 . 1 . 1 61 61 ASP CA C 13 55.4520 0.0000 . 1 . . . . A 282 ASP CA . 30691 1 689 . 1 . 1 61 61 ASP CB C 13 41.4300 0.0000 . 1 . . . . A 282 ASP CB . 30691 1 690 . 1 . 1 61 61 ASP N N 15 119.4400 0.0000 . 1 . . . . A 282 ASP N . 30691 1 691 . 1 . 1 62 62 LEU H H 1 7.9020 0.0000 . 1 . . . . A 283 LEU H . 30691 1 692 . 1 . 1 62 62 LEU HA H 1 4.2970 0.0000 . 1 . . . . A 283 LEU HA . 30691 1 693 . 1 . 1 62 62 LEU HG H 1 1.7740 0.0000 . 1 . . . . A 283 LEU HG . 30691 1 694 . 1 . 1 62 62 LEU HD11 H 1 0.9130 0.0000 . 2 . . . . A 283 LEU HD11 . 30691 1 695 . 1 . 1 62 62 LEU HD12 H 1 0.9130 0.0000 . 2 . . . . A 283 LEU HD12 . 30691 1 696 . 1 . 1 62 62 LEU HD13 H 1 0.9130 0.0000 . 2 . . . . A 283 LEU HD13 . 30691 1 697 . 1 . 1 62 62 LEU HD21 H 1 0.8490 0.0000 . 2 . . . . A 283 LEU HD21 . 30691 1 698 . 1 . 1 62 62 LEU HD22 H 1 0.8490 0.0000 . 2 . . . . A 283 LEU HD22 . 30691 1 699 . 1 . 1 62 62 LEU HD23 H 1 0.8490 0.0000 . 2 . . . . A 283 LEU HD23 . 30691 1 700 . 1 . 1 62 62 LEU C C 13 177.1970 0.0000 . 1 . . . . A 283 LEU C . 30691 1 701 . 1 . 1 62 62 LEU CA C 13 55.6350 0.0000 . 1 . . . . A 283 LEU CA . 30691 1 702 . 1 . 1 62 62 LEU CB C 13 41.9050 0.0000 . 1 . . . . A 283 LEU CB . 30691 1 703 . 1 . 1 62 62 LEU CG C 13 26.8540 0.0000 . 1 . . . . A 283 LEU CG . 30691 1 704 . 1 . 1 62 62 LEU CD1 C 13 25.2490 0.0000 . 2 . . . . A 283 LEU CD1 . 30691 1 705 . 1 . 1 62 62 LEU CD2 C 13 23.5720 0.0000 . 2 . . . . A 283 LEU CD2 . 30691 1 706 . 1 . 1 62 62 LEU N N 15 119.3290 0.0000 . 1 . . . . A 283 LEU N . 30691 1 707 . 1 . 1 63 63 ASN H H 1 7.8700 0.0000 . 1 . . . . A 284 ASN H . 30691 1 708 . 1 . 1 63 63 ASN HA H 1 4.6970 0.0000 . 1 . . . . A 284 ASN HA . 30691 1 709 . 1 . 1 63 63 ASN HB2 H 1 2.8940 0.0000 . 2 . . . . A 284 ASN HB2 . 30691 1 710 . 1 . 1 63 63 ASN HB3 H 1 2.8940 0.0000 . 2 . . . . A 284 ASN HB3 . 30691 1 711 . 1 . 1 63 63 ASN C C 13 175.7880 0.0000 . 1 . . . . A 284 ASN C . 30691 1 712 . 1 . 1 63 63 ASN CA C 13 53.5000 0.0000 . 1 . . . . A 284 ASN CA . 30691 1 713 . 1 . 1 63 63 ASN CB C 13 39.2020 0.0000 . 1 . . . . A 284 ASN CB . 30691 1 714 . 1 . 1 63 63 ASN N N 15 118.0190 0.0000 . 1 . . . . A 284 ASN N . 30691 1 715 . 1 . 1 64 64 GLU H H 1 8.5480 0.0000 . 1 . . . . A 285 GLU H . 30691 1 716 . 1 . 1 64 64 GLU HA H 1 4.2420 0.0000 . 1 . . . . A 285 GLU HA . 30691 1 717 . 1 . 1 64 64 GLU HB2 H 1 2.0210 0.0000 . 2 . . . . A 285 GLU HB2 . 30691 1 718 . 1 . 1 64 64 GLU HB3 H 1 2.0880 0.0000 . 2 . . . . A 285 GLU HB3 . 30691 1 719 . 1 . 1 64 64 GLU HG2 H 1 2.2660 0.0000 . 2 . . . . A 285 GLU HG2 . 30691 1 720 . 1 . 1 64 64 GLU HG3 H 1 2.2660 0.0000 . 2 . . . . A 285 GLU HG3 . 30691 1 721 . 1 . 1 64 64 GLU C C 13 176.6470 0.0000 . 1 . . . . A 285 GLU C . 30691 1 722 . 1 . 1 64 64 GLU CA C 13 57.8210 0.0000 . 1 . . . . A 285 GLU CA . 30691 1 723 . 1 . 1 64 64 GLU CB C 13 29.7040 0.0000 . 1 . . . . A 285 GLU CB . 30691 1 724 . 1 . 1 64 64 GLU CG C 13 36.1470 0.0000 . 1 . . . . A 285 GLU CG . 30691 1 725 . 1 . 1 64 64 GLU N N 15 120.3610 0.0000 . 1 . . . . A 285 GLU N . 30691 1 726 . 1 . 1 65 65 ASN H H 1 8.4650 0.0000 . 1 . . . . A 286 ASN H . 30691 1 727 . 1 . 1 65 65 ASN HA H 1 4.7270 0.0000 . 1 . . . . A 286 ASN HA . 30691 1 728 . 1 . 1 65 65 ASN HB2 H 1 2.8880 0.0000 . 2 . . . . A 286 ASN HB2 . 30691 1 729 . 1 . 1 65 65 ASN HB3 H 1 2.8880 0.0000 . 2 . . . . A 286 ASN HB3 . 30691 1 730 . 1 . 1 65 65 ASN CA C 13 54.0490 0.0000 . 1 . . . . A 286 ASN CA . 30691 1 731 . 1 . 1 65 65 ASN CB C 13 38.4850 0.0000 . 1 . . . . A 286 ASN CB . 30691 1 732 . 1 . 1 65 65 ASN N N 15 117.5720 0.0000 . 1 . . . . A 286 ASN N . 30691 1 733 . 1 . 1 66 66 MET H H 1 8.0760 0.0000 . 1 . . . . A 287 MET H . 30691 1 734 . 1 . 1 66 66 MET CA C 13 56.6420 0.0000 . 1 . . . . A 287 MET CA . 30691 1 735 . 1 . 1 66 66 MET N N 15 119.5780 0.0000 . 1 . . . . A 287 MET N . 30691 1 736 . 1 . 1 69 69 ILE HA H 1 3.9480 0.0000 . 1 . . . . A 290 ILE HA . 30691 1 737 . 1 . 1 69 69 ILE HB H 1 1.9360 0.0000 . 1 . . . . A 290 ILE HB . 30691 1 738 . 1 . 1 69 69 ILE HG12 H 1 1.5780 0.0000 . 2 . . . . A 290 ILE HG12 . 30691 1 739 . 1 . 1 69 69 ILE HG13 H 1 1.5780 0.0000 . 2 . . . . A 290 ILE HG13 . 30691 1 740 . 1 . 1 69 69 ILE HG21 H 1 0.9130 0.0000 . 1 . . . . A 290 ILE HG21 . 30691 1 741 . 1 . 1 69 69 ILE HG22 H 1 0.9130 0.0000 . 1 . . . . A 290 ILE HG22 . 30691 1 742 . 1 . 1 69 69 ILE HG23 H 1 0.9130 0.0000 . 1 . . . . A 290 ILE HG23 . 30691 1 743 . 1 . 1 69 69 ILE HD11 H 1 0.8640 0.0000 . 1 . . . . A 290 ILE HD11 . 30691 1 744 . 1 . 1 69 69 ILE HD12 H 1 0.8640 0.0000 . 1 . . . . A 290 ILE HD12 . 30691 1 745 . 1 . 1 69 69 ILE HD13 H 1 0.8640 0.0000 . 1 . . . . A 290 ILE HD13 . 30691 1 746 . 1 . 1 69 69 ILE C C 13 177.0195 0.0000 . 1 . . . . A 290 ILE C . 30691 1 747 . 1 . 1 69 69 ILE CA C 13 63.1430 0.0000 . 1 . . . . A 290 ILE CA . 30691 1 748 . 1 . 1 69 69 ILE CB C 13 38.2350 0.0000 . 1 . . . . A 290 ILE CB . 30691 1 749 . 1 . 1 69 69 ILE CG1 C 13 28.8010 0.0000 . 1 . . . . A 290 ILE CG1 . 30691 1 750 . 1 . 1 69 69 ILE CG2 C 13 17.9840 0.0000 . 1 . . . . A 290 ILE CG2 . 30691 1 751 . 1 . 1 69 69 ILE CD1 C 13 13.3440 0.0000 . 1 . . . . A 290 ILE CD1 . 30691 1 752 . 1 . 1 70 70 THR H H 1 7.9100 0.0000 . 1 . . . . A 291 THR H . 30691 1 753 . 1 . 1 70 70 THR HA H 1 4.1920 0.0000 . 1 . . . . A 291 THR HA . 30691 1 754 . 1 . 1 70 70 THR HB H 1 4.2490 0.0000 . 1 . . . . A 291 THR HB . 30691 1 755 . 1 . 1 70 70 THR HG21 H 1 1.2400 0.0000 . 1 . . . . A 291 THR HG21 . 30691 1 756 . 1 . 1 70 70 THR HG22 H 1 1.2400 0.0000 . 1 . . . . A 291 THR HG22 . 30691 1 757 . 1 . 1 70 70 THR HG23 H 1 1.2400 0.0000 . 1 . . . . A 291 THR HG23 . 30691 1 758 . 1 . 1 70 70 THR C C 13 175.8176 0.0000 . 1 . . . . A 291 THR C . 30691 1 759 . 1 . 1 70 70 THR CA C 13 63.7530 0.0000 . 1 . . . . A 291 THR CA . 30691 1 760 . 1 . 1 70 70 THR CB C 13 69.0010 0.0000 . 1 . . . . A 291 THR CB . 30691 1 761 . 1 . 1 70 70 THR CG2 C 13 21.9300 0.0000 . 1 . . . . A 291 THR CG2 . 30691 1 762 . 1 . 1 70 70 THR N N 15 113.9610 0.0000 . 1 . . . . A 291 THR N . 30691 1 763 . 1 . 1 71 71 ASN H H 1 8.0760 0.0000 . 1 . . . . A 292 ASN H . 30691 1 764 . 1 . 1 71 71 ASN HA H 1 4.7474 0.0000 . 1 . . . . A 292 ASN HA . 30691 1 765 . 1 . 1 71 71 ASN C C 13 176.4694 0.0000 . 1 . . . . A 292 ASN C . 30691 1 766 . 1 . 1 71 71 ASN CA C 13 53.9404 0.0000 . 1 . . . . A 292 ASN CA . 30691 1 767 . 1 . 1 71 71 ASN N N 15 119.5780 0.0000 . 1 . . . . A 292 ASN N . 30691 1 768 . 1 . 1 72 72 TYR H H 1 7.8850 0.0000 . 1 . . . . A 293 TYR H . 30691 1 769 . 1 . 1 72 72 TYR C C 13 176.1373 0.0000 . 1 . . . . A 293 TYR C . 30691 1 770 . 1 . 1 72 72 TYR CA C 13 53.9010 0.0000 . 1 . . . . A 293 TYR CA . 30691 1 771 . 1 . 1 72 72 TYR CB C 13 37.6889 0.0000 . 1 . . . . A 293 TYR CB . 30691 1 772 . 1 . 1 72 72 TYR N N 15 119.9240 0.0000 . 1 . . . . A 293 TYR N . 30691 1 773 . 1 . 1 73 73 LYS H H 1 7.6260 0.0000 . 1 . . . . A 294 LYS H . 30691 1 774 . 1 . 1 73 73 LYS C C 13 176.9895 0.0000 . 1 . . . . A 294 LYS C . 30691 1 775 . 1 . 1 73 73 LYS CA C 13 58.4977 0.0000 . 1 . . . . A 294 LYS CA . 30691 1 776 . 1 . 1 73 73 LYS CB C 13 32.0398 0.0000 . 1 . . . . A 294 LYS CB . 30691 1 777 . 1 . 1 73 73 LYS N N 15 118.2210 0.0000 . 1 . . . . A 294 LYS N . 30691 1 778 . 1 . 1 74 74 ASN H H 1 7.7580 0.0000 . 1 . . . . A 295 ASN H . 30691 1 779 . 1 . 1 74 74 ASN HA H 1 4.6689 0.0000 . 1 . . . . A 295 ASN HA . 30691 1 780 . 1 . 1 74 74 ASN C C 13 174.4963 0.0000 . 1 . . . . A 295 ASN C . 30691 1 781 . 1 . 1 74 74 ASN CA C 13 53.0996 0.0000 . 1 . . . . A 295 ASN CA . 30691 1 782 . 1 . 1 74 74 ASN CB C 13 38.8272 0.0000 . 1 . . . . A 295 ASN CB . 30691 1 783 . 1 . 1 74 74 ASN N N 15 115.5030 0.0000 . 1 . . . . A 295 ASN N . 30691 1 784 . 1 . 1 75 75 ASN H H 1 7.7090 0.0000 . 1 . . . . A 296 ASN H . 30691 1 785 . 1 . 1 75 75 ASN HA H 1 4.6793 0.0000 . 1 . . . . A 296 ASN HA . 30691 1 786 . 1 . 1 75 75 ASN HB2 H 1 2.7901 0.0000 . 2 . . . . A 296 ASN HB2 . 30691 1 787 . 1 . 1 75 75 ASN HB3 H 1 2.7901 0.0000 . 2 . . . . A 296 ASN HB3 . 30691 1 788 . 1 . 1 75 75 ASN C C 13 174.3909 0.0000 . 1 . . . . A 296 ASN C . 30691 1 789 . 1 . 1 75 75 ASN CA C 13 53.0885 0.0000 . 1 . . . . A 296 ASN CA . 30691 1 790 . 1 . 1 75 75 ASN CB C 13 39.8770 0.0000 . 1 . . . . A 296 ASN CB . 30691 1 791 . 1 . 1 75 75 ASN N N 15 119.8730 0.0000 . 1 . . . . A 296 ASN N . 30691 1 792 . 1 . 1 76 76 TYR H H 1 8.4390 0.0000 . 1 . . . . A 297 TYR H . 30691 1 793 . 1 . 1 76 76 TYR HA H 1 3.8986 0.0000 . 1 . . . . A 297 TYR HA . 30691 1 794 . 1 . 1 76 76 TYR HD1 H 1 6.6070 0.0000 . 3 . . . . A 297 TYR HD1 . 30691 1 795 . 1 . 1 76 76 TYR HD2 H 1 6.6070 0.0000 . 3 . . . . A 297 TYR HD2 . 30691 1 796 . 1 . 1 76 76 TYR HE1 H 1 6.6580 0.0000 . 3 . . . . A 297 TYR HE1 . 30691 1 797 . 1 . 1 76 76 TYR HE2 H 1 6.6580 0.0000 . 3 . . . . A 297 TYR HE2 . 30691 1 798 . 1 . 1 76 76 TYR C C 13 176.6900 0.0000 . 1 . . . . A 297 TYR C . 30691 1 799 . 1 . 1 76 76 TYR CA C 13 61.4660 0.0000 . 1 . . . . A 297 TYR CA . 30691 1 800 . 1 . 1 76 76 TYR CB C 13 38.3930 0.0000 . 1 . . . . A 297 TYR CB . 30691 1 801 . 1 . 1 76 76 TYR N N 15 125.1510 0.0000 . 1 . . . . A 297 TYR N . 30691 1 802 . 1 . 1 77 77 HIS H H 1 7.4150 0.0000 . 1 . . . . A 298 HIS H . 30691 1 803 . 1 . 1 77 77 HIS HA H 1 3.7360 0.0000 . 1 . . . . A 298 HIS HA . 30691 1 804 . 1 . 1 77 77 HIS HB2 H 1 2.4060 0.0000 . 2 . . . . A 298 HIS HB2 . 30691 1 805 . 1 . 1 77 77 HIS HB3 H 1 2.4060 0.0000 . 2 . . . . A 298 HIS HB3 . 30691 1 806 . 1 . 1 77 77 HIS HD2 H 1 6.6970 0.0000 . 1 . . . . A 298 HIS HD2 . 30691 1 807 . 1 . 1 77 77 HIS C C 13 177.3320 0.0000 . 1 . . . . A 298 HIS C . 30691 1 808 . 1 . 1 77 77 HIS CA C 13 60.1140 0.0000 . 1 . . . . A 298 HIS CA . 30691 1 809 . 1 . 1 77 77 HIS CB C 13 29.3750 0.0000 . 1 . . . . A 298 HIS CB . 30691 1 810 . 1 . 1 77 77 HIS CD2 C 13 115.9710 0.0000 . 1 . . . . A 298 HIS CD2 . 30691 1 811 . 1 . 1 77 77 HIS N N 15 118.4960 0.0000 . 1 . . . . A 298 HIS N . 30691 1 812 . 1 . 1 78 78 LEU H H 1 7.7360 0.0000 . 1 . . . . A 299 LEU H . 30691 1 813 . 1 . 1 78 78 LEU HA H 1 3.9580 0.0000 . 1 . . . . A 299 LEU HA . 30691 1 814 . 1 . 1 78 78 LEU HB2 H 1 1.3470 0.0000 . 2 . . . . A 299 LEU HB2 . 30691 1 815 . 1 . 1 78 78 LEU HB3 H 1 1.8740 0.0000 . 2 . . . . A 299 LEU HB3 . 30691 1 816 . 1 . 1 78 78 LEU HG H 1 1.2230 0.0000 . 1 . . . . A 299 LEU HG . 30691 1 817 . 1 . 1 78 78 LEU HD11 H 1 0.7060 0.0000 . 2 . . . . A 299 LEU HD11 . 30691 1 818 . 1 . 1 78 78 LEU HD12 H 1 0.7060 0.0000 . 2 . . . . A 299 LEU HD12 . 30691 1 819 . 1 . 1 78 78 LEU HD13 H 1 0.7060 0.0000 . 2 . . . . A 299 LEU HD13 . 30691 1 820 . 1 . 1 78 78 LEU HD21 H 1 0.6430 0.0000 . 2 . . . . A 299 LEU HD21 . 30691 1 821 . 1 . 1 78 78 LEU HD22 H 1 0.6430 0.0000 . 2 . . . . A 299 LEU HD22 . 30691 1 822 . 1 . 1 78 78 LEU HD23 H 1 0.6430 0.0000 . 2 . . . . A 299 LEU HD23 . 30691 1 823 . 1 . 1 78 78 LEU C C 13 179.1750 0.0000 . 1 . . . . A 299 LEU C . 30691 1 824 . 1 . 1 78 78 LEU CA C 13 57.2180 0.0000 . 1 . . . . A 299 LEU CA . 30691 1 825 . 1 . 1 78 78 LEU CB C 13 40.8810 0.0000 . 1 . . . . A 299 LEU CB . 30691 1 826 . 1 . 1 78 78 LEU CG C 13 26.9110 0.0000 . 1 . . . . A 299 LEU CG . 30691 1 827 . 1 . 1 78 78 LEU CD1 C 13 25.5600 0.0000 . 2 . . . . A 299 LEU CD1 . 30691 1 828 . 1 . 1 78 78 LEU CD2 C 13 22.5760 0.0000 . 2 . . . . A 299 LEU CD2 . 30691 1 829 . 1 . 1 78 78 LEU N N 15 117.9640 0.0000 . 1 . . . . A 299 LEU N . 30691 1 830 . 1 . 1 79 79 ARG H H 1 8.2860 0.0000 . 1 . . . . A 300 ARG H . 30691 1 831 . 1 . 1 79 79 ARG HA H 1 3.9760 0.0000 . 1 . . . . A 300 ARG HA . 30691 1 832 . 1 . 1 79 79 ARG C C 13 179.3930 0.0000 . 1 . . . . A 300 ARG C . 30691 1 833 . 1 . 1 79 79 ARG CA C 13 60.1440 0.0000 . 1 . . . . A 300 ARG CA . 30691 1 834 . 1 . 1 79 79 ARG CB C 13 29.9730 0.0000 . 1 . . . . A 300 ARG CB . 30691 1 835 . 1 . 1 79 79 ARG N N 15 119.3210 0.0000 . 1 . . . . A 300 ARG N . 30691 1 836 . 1 . 1 80 80 LYS H H 1 7.7300 0.0000 . 1 . . . . A 301 LYS H . 30691 1 837 . 1 . 1 80 80 LYS HA H 1 4.0370 0.0000 . 1 . . . . A 301 LYS HA . 30691 1 838 . 1 . 1 80 80 LYS HB2 H 1 1.8690 0.0000 . 2 . . . . A 301 LYS HB2 . 30691 1 839 . 1 . 1 80 80 LYS HB3 H 1 1.8690 0.0000 . 2 . . . . A 301 LYS HB3 . 30691 1 840 . 1 . 1 80 80 LYS HG2 H 1 1.4500 0.0000 . 2 . . . . A 301 LYS HG2 . 30691 1 841 . 1 . 1 80 80 LYS HG3 H 1 1.4500 0.0000 . 2 . . . . A 301 LYS HG3 . 30691 1 842 . 1 . 1 80 80 LYS HD2 H 1 1.8040 0.0000 . 2 . . . . A 301 LYS HD2 . 30691 1 843 . 1 . 1 80 80 LYS HD3 H 1 1.8040 0.0000 . 2 . . . . A 301 LYS HD3 . 30691 1 844 . 1 . 1 80 80 LYS C C 13 179.1340 0.0000 . 1 . . . . A 301 LYS C . 30691 1 845 . 1 . 1 80 80 LYS CA C 13 58.6730 0.0000 . 1 . . . . A 301 LYS CA . 30691 1 846 . 1 . 1 80 80 LYS CB C 13 31.7490 0.0000 . 1 . . . . A 301 LYS CB . 30691 1 847 . 1 . 1 80 80 LYS CG C 13 24.3600 0.0000 . 1 . . . . A 301 LYS CG . 30691 1 848 . 1 . 1 80 80 LYS CD C 13 28.9270 0.0000 . 1 . . . . A 301 LYS CD . 30691 1 849 . 1 . 1 80 80 LYS N N 15 120.4860 0.0000 . 1 . . . . A 301 LYS N . 30691 1 850 . 1 . 1 81 81 LEU H H 1 7.9070 0.0000 . 1 . . . . A 302 LEU H . 30691 1 851 . 1 . 1 81 81 LEU HA H 1 4.2350 0.0000 . 1 . . . . A 302 LEU HA . 30691 1 852 . 1 . 1 81 81 LEU HB2 H 1 2.2040 0.0000 . 2 . . . . A 302 LEU HB2 . 30691 1 853 . 1 . 1 81 81 LEU HB3 H 1 2.2040 0.0000 . 2 . . . . A 302 LEU HB3 . 30691 1 854 . 1 . 1 81 81 LEU HG H 1 1.7340 0.0000 . 1 . . . . A 302 LEU HG . 30691 1 855 . 1 . 1 81 81 LEU HD11 H 1 1.0929 0.0000 . 2 . . . . A 302 LEU HD11 . 30691 1 856 . 1 . 1 81 81 LEU HD12 H 1 1.0929 0.0000 . 2 . . . . A 302 LEU HD12 . 30691 1 857 . 1 . 1 81 81 LEU HD13 H 1 1.0929 0.0000 . 2 . . . . A 302 LEU HD13 . 30691 1 858 . 1 . 1 81 81 LEU HD21 H 1 0.9765 0.0000 . 2 . . . . A 302 LEU HD21 . 30691 1 859 . 1 . 1 81 81 LEU HD22 H 1 0.9765 0.0000 . 2 . . . . A 302 LEU HD22 . 30691 1 860 . 1 . 1 81 81 LEU HD23 H 1 0.9765 0.0000 . 2 . . . . A 302 LEU HD23 . 30691 1 861 . 1 . 1 81 81 LEU C C 13 177.4550 0.0000 . 1 . . . . A 302 LEU C . 30691 1 862 . 1 . 1 81 81 LEU CA C 13 58.0220 0.0000 . 1 . . . . A 302 LEU CA . 30691 1 863 . 1 . 1 81 81 LEU CB C 13 42.9260 0.0000 . 1 . . . . A 302 LEU CB . 30691 1 864 . 1 . 1 81 81 LEU CG C 13 26.6760 0.0000 . 1 . . . . A 302 LEU CG . 30691 1 865 . 1 . 1 81 81 LEU CD1 C 13 25.5531 0.0000 . 2 . . . . A 302 LEU CD1 . 30691 1 866 . 1 . 1 81 81 LEU CD2 C 13 26.1068 0.0000 . 2 . . . . A 302 LEU CD2 . 30691 1 867 . 1 . 1 81 81 LEU N N 15 121.4350 0.0000 . 1 . . . . A 302 LEU N . 30691 1 868 . 1 . 1 82 82 ALA H H 1 8.2970 0.0000 . 1 . . . . A 303 ALA H . 30691 1 869 . 1 . 1 82 82 ALA HA H 1 3.7200 0.0000 . 1 . . . . A 303 ALA HA . 30691 1 870 . 1 . 1 82 82 ALA HB1 H 1 1.4050 0.0000 . 1 . . . . A 303 ALA HB1 . 30691 1 871 . 1 . 1 82 82 ALA HB2 H 1 1.4050 0.0000 . 1 . . . . A 303 ALA HB2 . 30691 1 872 . 1 . 1 82 82 ALA HB3 H 1 1.4050 0.0000 . 1 . . . . A 303 ALA HB3 . 30691 1 873 . 1 . 1 82 82 ALA C C 13 179.3800 0.0000 . 1 . . . . A 303 ALA C . 30691 1 874 . 1 . 1 82 82 ALA CA C 13 55.3020 0.0000 . 1 . . . . A 303 ALA CA . 30691 1 875 . 1 . 1 82 82 ALA CB C 13 18.6400 0.0000 . 1 . . . . A 303 ALA CB . 30691 1 876 . 1 . 1 82 82 ALA N N 15 120.0240 0.0000 . 1 . . . . A 303 ALA N . 30691 1 877 . 1 . 1 83 83 SER H H 1 8.1470 0.0000 . 1 . . . . A 304 SER H . 30691 1 878 . 1 . 1 83 83 SER HA H 1 4.0640 0.0000 . 1 . . . . A 304 SER HA . 30691 1 879 . 1 . 1 83 83 SER HB2 H 1 3.9870 0.0000 . 2 . . . . A 304 SER HB2 . 30691 1 880 . 1 . 1 83 83 SER HB3 H 1 3.9870 0.0000 . 2 . . . . A 304 SER HB3 . 30691 1 881 . 1 . 1 83 83 SER C C 13 176.5710 0.0000 . 1 . . . . A 304 SER C . 30691 1 882 . 1 . 1 83 83 SER CA C 13 61.8210 0.0000 . 1 . . . . A 304 SER CA . 30691 1 883 . 1 . 1 83 83 SER CB C 13 62.8150 0.0000 . 1 . . . . A 304 SER CB . 30691 1 884 . 1 . 1 83 83 SER N N 15 112.6570 0.0000 . 1 . . . . A 304 SER N . 30691 1 885 . 1 . 1 84 84 ALA H H 1 8.0520 0.0000 . 1 . . . . A 305 ALA H . 30691 1 886 . 1 . 1 84 84 ALA HA H 1 3.4910 0.0000 . 1 . . . . A 305 ALA HA . 30691 1 887 . 1 . 1 84 84 ALA HB1 H 1 1.3340 0.0000 . 1 . . . . A 305 ALA HB1 . 30691 1 888 . 1 . 1 84 84 ALA HB2 H 1 1.3340 0.0000 . 1 . . . . A 305 ALA HB2 . 30691 1 889 . 1 . 1 84 84 ALA HB3 H 1 1.3340 0.0000 . 1 . . . . A 305 ALA HB3 . 30691 1 890 . 1 . 1 84 84 ALA C C 13 179.3730 0.0000 . 1 . . . . A 305 ALA C . 30691 1 891 . 1 . 1 84 84 ALA CA C 13 55.1690 0.0000 . 1 . . . . A 305 ALA CA . 30691 1 892 . 1 . 1 84 84 ALA CB C 13 18.9790 0.0000 . 1 . . . . A 305 ALA CB . 30691 1 893 . 1 . 1 84 84 ALA N N 15 123.8520 0.0000 . 1 . . . . A 305 ALA N . 30691 1 894 . 1 . 1 85 85 PHE H H 1 7.9900 0.0000 . 1 . . . . A 306 PHE H . 30691 1 895 . 1 . 1 85 85 PHE HA H 1 4.1260 0.0000 . 1 . . . . A 306 PHE HA . 30691 1 896 . 1 . 1 85 85 PHE HB2 H 1 2.6510 0.0000 . 2 . . . . A 306 PHE HB2 . 30691 1 897 . 1 . 1 85 85 PHE HB3 H 1 2.8120 0.0000 . 2 . . . . A 306 PHE HB3 . 30691 1 898 . 1 . 1 85 85 PHE HD1 H 1 6.7160 0.0000 . 3 . . . . A 306 PHE HD1 . 30691 1 899 . 1 . 1 85 85 PHE HD2 H 1 6.7160 0.0000 . 3 . . . . A 306 PHE HD2 . 30691 1 900 . 1 . 1 85 85 PHE HE1 H 1 7.1180 0.0000 . 3 . . . . A 306 PHE HE1 . 30691 1 901 . 1 . 1 85 85 PHE HE2 H 1 7.1180 0.0000 . 3 . . . . A 306 PHE HE2 . 30691 1 902 . 1 . 1 85 85 PHE C C 13 178.5400 0.0000 . 1 . . . . A 306 PHE C . 30691 1 903 . 1 . 1 85 85 PHE CA C 13 59.6510 0.0000 . 1 . . . . A 306 PHE CA . 30691 1 904 . 1 . 1 85 85 PHE CB C 13 38.5780 0.0000 . 1 . . . . A 306 PHE CB . 30691 1 905 . 1 . 1 85 85 PHE CD1 C 13 131.1220 0.0000 . 3 . . . . A 306 PHE CD1 . 30691 1 906 . 1 . 1 85 85 PHE CD2 C 13 131.1220 0.0000 . 3 . . . . A 306 PHE CD2 . 30691 1 907 . 1 . 1 85 85 PHE CE1 C 13 131.1320 0.0000 . 3 . . . . A 306 PHE CE1 . 30691 1 908 . 1 . 1 85 85 PHE CE2 C 13 131.1320 0.0000 . 3 . . . . A 306 PHE CE2 . 30691 1 909 . 1 . 1 85 85 PHE N N 15 117.1950 0.0000 . 1 . . . . A 306 PHE N . 30691 1 910 . 1 . 1 86 86 MET H H 1 8.3010 0.0000 . 1 . . . . A 307 MET H . 30691 1 911 . 1 . 1 86 86 MET HA H 1 3.7220 0.0000 . 1 . . . . A 307 MET HA . 30691 1 912 . 1 . 1 86 86 MET HB2 H 1 1.9690 0.0000 . 2 . . . . A 307 MET HB2 . 30691 1 913 . 1 . 1 86 86 MET HB3 H 1 2.0000 0.0000 . 2 . . . . A 307 MET HB3 . 30691 1 914 . 1 . 1 86 86 MET HG2 H 1 2.4640 0.0000 . 2 . . . . A 307 MET HG2 . 30691 1 915 . 1 . 1 86 86 MET HG3 H 1 2.5820 0.0000 . 2 . . . . A 307 MET HG3 . 30691 1 916 . 1 . 1 86 86 MET C C 13 177.2110 0.0000 . 1 . . . . A 307 MET C . 30691 1 917 . 1 . 1 86 86 MET CA C 13 58.0340 0.0000 . 1 . . . . A 307 MET CA . 30691 1 918 . 1 . 1 86 86 MET CB C 13 32.3570 0.0000 . 1 . . . . A 307 MET CB . 30691 1 919 . 1 . 1 86 86 MET N N 15 117.1470 0.0000 . 1 . . . . A 307 MET N . 30691 1 920 . 1 . 1 87 87 ASN H H 1 7.6890 0.0000 . 1 . . . . A 308 ASN H . 30691 1 921 . 1 . 1 87 87 ASN HA H 1 4.7270 0.0000 . 1 . . . . A 308 ASN HA . 30691 1 922 . 1 . 1 87 87 ASN HB2 H 1 2.6590 0.0000 . 2 . . . . A 308 ASN HB2 . 30691 1 923 . 1 . 1 87 87 ASN HB3 H 1 2.6590 0.0000 . 2 . . . . A 308 ASN HB3 . 30691 1 924 . 1 . 1 87 87 ASN C C 13 174.8250 0.0000 . 1 . . . . A 308 ASN C . 30691 1 925 . 1 . 1 87 87 ASN CA C 13 53.4430 0.0000 . 1 . . . . A 308 ASN CA . 30691 1 926 . 1 . 1 87 87 ASN CB C 13 40.1170 0.0000 . 1 . . . . A 308 ASN CB . 30691 1 927 . 1 . 1 87 87 ASN N N 15 113.2160 0.0000 . 1 . . . . A 308 ASN N . 30691 1 928 . 1 . 1 88 88 GLY H H 1 7.3350 0.0000 . 1 . . . . A 309 GLY H . 30691 1 929 . 1 . 1 88 88 GLY HA2 H 1 3.7620 0.0000 . 2 . . . . A 309 GLY HA2 . 30691 1 930 . 1 . 1 88 88 GLY HA3 H 1 4.0210 0.0000 . 2 . . . . A 309 GLY HA3 . 30691 1 931 . 1 . 1 88 88 GLY C C 13 175.6750 0.0000 . 1 . . . . A 309 GLY C . 30691 1 932 . 1 . 1 88 88 GLY CA C 13 46.7810 0.0000 . 1 . . . . A 309 GLY CA . 30691 1 933 . 1 . 1 88 88 GLY N N 15 106.8100 0.0000 . 1 . . . . A 309 GLY N . 30691 1 934 . 1 . 1 89 89 TYR H H 1 8.4030 0.0000 . 1 . . . . A 310 TYR H . 30691 1 935 . 1 . 1 89 89 TYR HA H 1 4.7640 0.0000 . 1 . . . . A 310 TYR HA . 30691 1 936 . 1 . 1 89 89 TYR HB2 H 1 3.0010 0.0000 . 2 . . . . A 310 TYR HB2 . 30691 1 937 . 1 . 1 89 89 TYR HB3 H 1 3.0010 0.0000 . 2 . . . . A 310 TYR HB3 . 30691 1 938 . 1 . 1 89 89 TYR HD1 H 1 6.9380 0.0000 . 3 . . . . A 310 TYR HD1 . 30691 1 939 . 1 . 1 89 89 TYR HD2 H 1 6.9380 0.0000 . 3 . . . . A 310 TYR HD2 . 30691 1 940 . 1 . 1 89 89 TYR HE1 H 1 6.7340 0.0000 . 3 . . . . A 310 TYR HE1 . 30691 1 941 . 1 . 1 89 89 TYR HE2 H 1 6.7340 0.0000 . 3 . . . . A 310 TYR HE2 . 30691 1 942 . 1 . 1 89 89 TYR C C 13 171.9530 0.0000 . 1 . . . . A 310 TYR C . 30691 1 943 . 1 . 1 89 89 TYR CA C 13 55.9950 0.0000 . 1 . . . . A 310 TYR CA . 30691 1 944 . 1 . 1 89 89 TYR CB C 13 38.1990 0.0000 . 1 . . . . A 310 TYR CB . 30691 1 945 . 1 . 1 89 89 TYR CD1 C 13 133.0400 0.0000 . 3 . . . . A 310 TYR CD1 . 30691 1 946 . 1 . 1 89 89 TYR CD2 C 13 133.0400 0.0000 . 3 . . . . A 310 TYR CD2 . 30691 1 947 . 1 . 1 89 89 TYR CE1 C 13 118.1800 0.0000 . 3 . . . . A 310 TYR CE1 . 30691 1 948 . 1 . 1 89 89 TYR CE2 C 13 118.1800 0.0000 . 3 . . . . A 310 TYR CE2 . 30691 1 949 . 1 . 1 89 89 TYR N N 15 118.6790 0.0000 . 1 . . . . A 310 TYR N . 30691 1 950 . 1 . 1 90 90 LEU H H 1 7.4610 0.0000 . 1 . . . . A 311 LEU H . 30691 1 951 . 1 . 1 90 90 LEU HA H 1 4.8200 0.0000 . 1 . . . . A 311 LEU HA . 30691 1 952 . 1 . 1 90 90 LEU HB2 H 1 0.7980 0.0000 . 2 . . . . A 311 LEU HB2 . 30691 1 953 . 1 . 1 90 90 LEU HB3 H 1 1.6930 0.0000 . 2 . . . . A 311 LEU HB3 . 30691 1 954 . 1 . 1 90 90 LEU HG H 1 0.9260 0.0000 . 1 . . . . A 311 LEU HG . 30691 1 955 . 1 . 1 90 90 LEU HD11 H 1 0.9070 0.0000 . 2 . . . . A 311 LEU HD11 . 30691 1 956 . 1 . 1 90 90 LEU HD12 H 1 0.9070 0.0000 . 2 . . . . A 311 LEU HD12 . 30691 1 957 . 1 . 1 90 90 LEU HD13 H 1 0.9070 0.0000 . 2 . . . . A 311 LEU HD13 . 30691 1 958 . 1 . 1 90 90 LEU HD21 H 1 0.7040 0.0000 . 2 . . . . A 311 LEU HD21 . 30691 1 959 . 1 . 1 90 90 LEU HD22 H 1 0.7040 0.0000 . 2 . . . . A 311 LEU HD22 . 30691 1 960 . 1 . 1 90 90 LEU HD23 H 1 0.7040 0.0000 . 2 . . . . A 311 LEU HD23 . 30691 1 961 . 1 . 1 90 90 LEU CA C 13 52.9420 0.0000 . 1 . . . . A 311 LEU CA . 30691 1 962 . 1 . 1 90 90 LEU CB C 13 44.3930 0.0000 . 1 . . . . A 311 LEU CB . 30691 1 963 . 1 . 1 90 90 LEU CG C 13 28.4410 0.0000 . 1 . . . . A 311 LEU CG . 30691 1 964 . 1 . 1 90 90 LEU CD1 C 13 26.2950 0.0000 . 2 . . . . A 311 LEU CD1 . 30691 1 965 . 1 . 1 90 90 LEU CD2 C 13 23.9030 0.0000 . 2 . . . . A 311 LEU CD2 . 30691 1 966 . 1 . 1 90 90 LEU N N 15 121.0040 0.0000 . 1 . . . . A 311 LEU N . 30691 1 967 . 1 . 1 91 91 ARG H H 1 8.6420 0.0000 . 1 . . . . A 312 ARG H . 30691 1 968 . 1 . 1 91 91 ARG HA H 1 5.0030 0.0000 . 1 . . . . A 312 ARG HA . 30691 1 969 . 1 . 1 91 91 ARG HB2 H 1 1.7540 0.0000 . 2 . . . . A 312 ARG HB2 . 30691 1 970 . 1 . 1 91 91 ARG HB3 H 1 1.7540 0.0000 . 2 . . . . A 312 ARG HB3 . 30691 1 971 . 1 . 1 91 91 ARG HG2 H 1 1.6470 0.0000 . 2 . . . . A 312 ARG HG2 . 30691 1 972 . 1 . 1 91 91 ARG HG3 H 1 1.6470 0.0000 . 2 . . . . A 312 ARG HG3 . 30691 1 973 . 1 . 1 91 91 ARG C C 13 174.2100 0.0000 . 1 . . . . A 312 ARG C . 30691 1 974 . 1 . 1 91 91 ARG CA C 13 51.9540 0.0000 . 1 . . . . A 312 ARG CA . 30691 1 975 . 1 . 1 91 91 ARG CB C 13 33.4230 0.0000 . 1 . . . . A 312 ARG CB . 30691 1 976 . 1 . 1 91 91 ARG N N 15 125.0890 0.0000 . 1 . . . . A 312 ARG N . 30691 1 977 . 1 . 1 92 92 PHE H H 1 8.7830 0.0000 . 1 . . . . A 313 PHE H . 30691 1 978 . 1 . 1 92 92 PHE HA H 1 5.3090 0.0000 . 1 . . . . A 313 PHE HA . 30691 1 979 . 1 . 1 92 92 PHE HB2 H 1 2.8040 0.0000 . 2 . . . . A 313 PHE HB2 . 30691 1 980 . 1 . 1 92 92 PHE HB3 H 1 3.0820 0.0000 . 2 . . . . A 313 PHE HB3 . 30691 1 981 . 1 . 1 92 92 PHE HD1 H 1 7.1590 0.0000 . 3 . . . . A 313 PHE HD1 . 30691 1 982 . 1 . 1 92 92 PHE HD2 H 1 7.1590 0.0000 . 3 . . . . A 313 PHE HD2 . 30691 1 983 . 1 . 1 92 92 PHE HE1 H 1 7.2860 0.0000 . 3 . . . . A 313 PHE HE1 . 30691 1 984 . 1 . 1 92 92 PHE HE2 H 1 7.2860 0.0000 . 3 . . . . A 313 PHE HE2 . 30691 1 985 . 1 . 1 92 92 PHE C C 13 176.7677 0.0000 . 1 . . . . A 313 PHE C . 30691 1 986 . 1 . 1 92 92 PHE CA C 13 55.3730 0.0000 . 1 . . . . A 313 PHE CA . 30691 1 987 . 1 . 1 92 92 PHE CB C 13 42.9610 0.0000 . 1 . . . . A 313 PHE CB . 30691 1 988 . 1 . 1 92 92 PHE CD1 C 13 132.3300 0.0000 . 3 . . . . A 313 PHE CD1 . 30691 1 989 . 1 . 1 92 92 PHE CD2 C 13 132.3300 0.0000 . 3 . . . . A 313 PHE CD2 . 30691 1 990 . 1 . 1 92 92 PHE CE1 C 13 131.2070 0.0000 . 3 . . . . A 313 PHE CE1 . 30691 1 991 . 1 . 1 92 92 PHE CE2 C 13 131.2070 0.0000 . 3 . . . . A 313 PHE CE2 . 30691 1 992 . 1 . 1 92 92 PHE N N 15 116.7770 0.0000 . 1 . . . . A 313 PHE N . 30691 1 993 . 1 . 1 93 93 ASP H H 1 8.3570 0.0000 . 1 . . . . A 314 ASP H . 30691 1 994 . 1 . 1 93 93 ASP HA H 1 4.5458 0.0000 . 1 . . . . A 314 ASP HA . 30691 1 995 . 1 . 1 93 93 ASP C C 13 174.3177 0.0000 . 1 . . . . A 314 ASP C . 30691 1 996 . 1 . 1 93 93 ASP CA C 13 58.3358 0.0000 . 1 . . . . A 314 ASP CA . 30691 1 997 . 1 . 1 93 93 ASP CB C 13 45.1170 0.0000 . 1 . . . . A 314 ASP CB . 30691 1 998 . 1 . 1 93 93 ASP N N 15 119.6730 0.0000 . 1 . . . . A 314 ASP N . 30691 1 999 . 1 . 1 94 94 ASN H H 1 7.0830 0.0000 . 1 . . . . A 315 ASN H . 30691 1 1000 . 1 . 1 94 94 ASN HA H 1 4.7350 0.0000 . 1 . . . . A 315 ASN HA . 30691 1 1001 . 1 . 1 94 94 ASN C C 13 175.0678 0.0000 . 1 . . . . A 315 ASN C . 30691 1 1002 . 1 . 1 94 94 ASN CA C 13 52.2440 0.0000 . 1 . . . . A 315 ASN CA . 30691 1 1003 . 1 . 1 94 94 ASN CB C 13 40.6490 0.0000 . 1 . . . . A 315 ASN CB . 30691 1 1004 . 1 . 1 94 94 ASN N N 15 101.7310 0.0000 . 1 . . . . A 315 ASN N . 30691 1 1005 . 1 . 1 95 95 GLN H H 1 9.1500 0.0000 . 1 . . . . A 316 GLN H . 30691 1 1006 . 1 . 1 95 95 GLN C C 13 176.8730 0.0000 . 1 . . . . A 316 GLN C . 30691 1 1007 . 1 . 1 95 95 GLN CA C 13 59.6610 0.0000 . 1 . . . . A 316 GLN CA . 30691 1 1008 . 1 . 1 95 95 GLN CB C 13 28.9780 0.0000 . 1 . . . . A 316 GLN CB . 30691 1 1009 . 1 . 1 95 95 GLN N N 15 118.4730 0.0000 . 1 . . . . A 316 GLN N . 30691 1 1010 . 1 . 1 96 96 VAL H H 1 7.9890 0.0000 . 1 . . . . A 317 VAL H . 30691 1 1011 . 1 . 1 96 96 VAL HA H 1 3.6490 0.0000 . 1 . . . . A 317 VAL HA . 30691 1 1012 . 1 . 1 96 96 VAL HB H 1 2.2260 0.0000 . 1 . . . . A 317 VAL HB . 30691 1 1013 . 1 . 1 96 96 VAL HG11 H 1 0.7301 0.0000 . 2 . . . . A 317 VAL HG11 . 30691 1 1014 . 1 . 1 96 96 VAL HG12 H 1 0.7301 0.0000 . 2 . . . . A 317 VAL HG12 . 30691 1 1015 . 1 . 1 96 96 VAL HG13 H 1 0.7301 0.0000 . 2 . . . . A 317 VAL HG13 . 30691 1 1016 . 1 . 1 96 96 VAL HG21 H 1 1.0028 0.0000 . 2 . . . . A 317 VAL HG21 . 30691 1 1017 . 1 . 1 96 96 VAL HG22 H 1 1.0028 0.0000 . 2 . . . . A 317 VAL HG22 . 30691 1 1018 . 1 . 1 96 96 VAL HG23 H 1 1.0028 0.0000 . 2 . . . . A 317 VAL HG23 . 30691 1 1019 . 1 . 1 96 96 VAL C C 13 178.7510 0.0000 . 1 . . . . A 317 VAL C . 30691 1 1020 . 1 . 1 96 96 VAL CA C 13 66.5920 0.0000 . 1 . . . . A 317 VAL CA . 30691 1 1021 . 1 . 1 96 96 VAL CB C 13 31.1550 0.0000 . 1 . . . . A 317 VAL CB . 30691 1 1022 . 1 . 1 96 96 VAL CG1 C 13 20.7691 0.0000 . 2 . . . . A 317 VAL CG1 . 30691 1 1023 . 1 . 1 96 96 VAL CG2 C 13 22.5820 0.0000 . 2 . . . . A 317 VAL CG2 . 30691 1 1024 . 1 . 1 96 96 VAL N N 15 122.0120 0.0000 . 1 . . . . A 317 VAL N . 30691 1 1025 . 1 . 1 97 97 ILE H H 1 7.9900 0.0000 . 1 . . . . A 318 ILE H . 30691 1 1026 . 1 . 1 97 97 ILE HA H 1 3.7120 0.0000 . 1 . . . . A 318 ILE HA . 30691 1 1027 . 1 . 1 97 97 ILE HB H 1 1.9560 0.0000 . 1 . . . . A 318 ILE HB . 30691 1 1028 . 1 . 1 97 97 ILE HG12 H 1 1.4410 0.0000 . 2 . . . . A 318 ILE HG12 . 30691 1 1029 . 1 . 1 97 97 ILE HG13 H 1 1.8020 0.0000 . 2 . . . . A 318 ILE HG13 . 30691 1 1030 . 1 . 1 97 97 ILE HG21 H 1 1.1870 0.0000 . 1 . . . . A 318 ILE HG21 . 30691 1 1031 . 1 . 1 97 97 ILE HG22 H 1 1.1870 0.0000 . 1 . . . . A 318 ILE HG22 . 30691 1 1032 . 1 . 1 97 97 ILE HG23 H 1 1.1870 0.0000 . 1 . . . . A 318 ILE HG23 . 30691 1 1033 . 1 . 1 97 97 ILE HD11 H 1 1.1110 0.0000 . 1 . . . . A 318 ILE HD11 . 30691 1 1034 . 1 . 1 97 97 ILE HD12 H 1 1.1110 0.0000 . 1 . . . . A 318 ILE HD12 . 30691 1 1035 . 1 . 1 97 97 ILE HD13 H 1 1.1110 0.0000 . 1 . . . . A 318 ILE HD13 . 30691 1 1036 . 1 . 1 97 97 ILE C C 13 176.9610 0.0000 . 1 . . . . A 318 ILE C . 30691 1 1037 . 1 . 1 97 97 ILE CA C 13 63.4200 0.0000 . 1 . . . . A 318 ILE CA . 30691 1 1038 . 1 . 1 97 97 ILE CB C 13 37.3930 0.0000 . 1 . . . . A 318 ILE CB . 30691 1 1039 . 1 . 1 97 97 ILE CG1 C 13 28.8640 0.0000 . 1 . . . . A 318 ILE CG1 . 30691 1 1040 . 1 . 1 97 97 ILE CG2 C 13 18.3540 0.0000 . 1 . . . . A 318 ILE CG2 . 30691 1 1041 . 1 . 1 97 97 ILE CD1 C 13 13.8220 0.0000 . 1 . . . . A 318 ILE CD1 . 30691 1 1042 . 1 . 1 97 97 ILE N N 15 118.3620 0.0000 . 1 . . . . A 318 ILE N . 30691 1 1043 . 1 . 1 98 98 ARG H H 1 7.6190 0.0000 . 1 . . . . A 319 ARG H . 30691 1 1044 . 1 . 1 98 98 ARG HA H 1 2.8100 0.0000 . 1 . . . . A 319 ARG HA . 30691 1 1045 . 1 . 1 98 98 ARG HB2 H 1 1.7420 0.0000 . 2 . . . . A 319 ARG HB2 . 30691 1 1046 . 1 . 1 98 98 ARG HB3 H 1 1.7420 0.0000 . 2 . . . . A 319 ARG HB3 . 30691 1 1047 . 1 . 1 98 98 ARG HG2 H 1 1.0220 0.0000 . 2 . . . . A 319 ARG HG2 . 30691 1 1048 . 1 . 1 98 98 ARG HG3 H 1 1.0220 0.0000 . 2 . . . . A 319 ARG HG3 . 30691 1 1049 . 1 . 1 98 98 ARG C C 13 176.4580 0.0000 . 1 . . . . A 319 ARG C . 30691 1 1050 . 1 . 1 98 98 ARG CA C 13 59.4220 0.0000 . 1 . . . . A 319 ARG CA . 30691 1 1051 . 1 . 1 98 98 ARG CB C 13 29.2120 0.0000 . 1 . . . . A 319 ARG CB . 30691 1 1052 . 1 . 1 98 98 ARG N N 15 120.2410 0.0000 . 1 . . . . A 319 ARG N . 30691 1 1053 . 1 . 1 99 99 ASN H H 1 7.7840 0.0000 . 1 . . . . A 320 ASN H . 30691 1 1054 . 1 . 1 99 99 ASN HA H 1 4.1926 0.0000 . 1 . . . . A 320 ASN HA . 30691 1 1055 . 1 . 1 99 99 ASN HB2 H 1 2.7970 0.0000 . 2 . . . . A 320 ASN HB2 . 30691 1 1056 . 1 . 1 99 99 ASN HB3 H 1 2.9600 0.0000 . 2 . . . . A 320 ASN HB3 . 30691 1 1057 . 1 . 1 99 99 ASN C C 13 178.4060 0.0000 . 1 . . . . A 320 ASN C . 30691 1 1058 . 1 . 1 99 99 ASN CA C 13 56.1585 0.0000 . 1 . . . . A 320 ASN CA . 30691 1 1059 . 1 . 1 99 99 ASN CB C 13 37.3640 0.0000 . 1 . . . . A 320 ASN CB . 30691 1 1060 . 1 . 1 99 99 ASN N N 15 116.8300 0.0000 . 1 . . . . A 320 ASN N . 30691 1 1061 . 1 . 1 100 100 ILE H H 1 7.7660 0.0000 . 1 . . . . A 321 ILE H . 30691 1 1062 . 1 . 1 100 100 ILE HA H 1 3.6530 0.0000 . 1 . . . . A 321 ILE HA . 30691 1 1063 . 1 . 1 100 100 ILE HB H 1 1.6550 0.0000 . 1 . . . . A 321 ILE HB . 30691 1 1064 . 1 . 1 100 100 ILE HG12 H 1 1.4440 0.0000 . 2 . . . . A 321 ILE HG12 . 30691 1 1065 . 1 . 1 100 100 ILE HG13 H 1 0.8660 0.0000 . 2 . . . . A 321 ILE HG13 . 30691 1 1066 . 1 . 1 100 100 ILE HG21 H 1 0.7530 0.0000 . 1 . . . . A 321 ILE HG21 . 30691 1 1067 . 1 . 1 100 100 ILE HG22 H 1 0.7530 0.0000 . 1 . . . . A 321 ILE HG22 . 30691 1 1068 . 1 . 1 100 100 ILE HG23 H 1 0.7530 0.0000 . 1 . . . . A 321 ILE HG23 . 30691 1 1069 . 1 . 1 100 100 ILE HD11 H 1 0.2880 0.0000 . 1 . . . . A 321 ILE HD11 . 30691 1 1070 . 1 . 1 100 100 ILE HD12 H 1 0.2880 0.0000 . 1 . . . . A 321 ILE HD12 . 30691 1 1071 . 1 . 1 100 100 ILE HD13 H 1 0.2880 0.0000 . 1 . . . . A 321 ILE HD13 . 30691 1 1072 . 1 . 1 100 100 ILE C C 13 177.0820 0.0000 . 1 . . . . A 321 ILE C . 30691 1 1073 . 1 . 1 100 100 ILE CA C 13 64.4850 0.0000 . 1 . . . . A 321 ILE CA . 30691 1 1074 . 1 . 1 100 100 ILE CB C 13 38.1330 0.0000 . 1 . . . . A 321 ILE CB . 30691 1 1075 . 1 . 1 100 100 ILE CG1 C 13 28.2180 0.0000 . 1 . . . . A 321 ILE CG1 . 30691 1 1076 . 1 . 1 100 100 ILE CG2 C 13 17.3600 0.0000 . 1 . . . . A 321 ILE CG2 . 30691 1 1077 . 1 . 1 100 100 ILE CD1 C 13 13.0750 0.0000 . 1 . . . . A 321 ILE CD1 . 30691 1 1078 . 1 . 1 100 100 ILE N N 15 121.1990 0.0000 . 1 . . . . A 321 ILE N . 30691 1 1079 . 1 . 1 101 101 ALA H H 1 8.2900 0.0000 . 1 . . . . A 322 ALA H . 30691 1 1080 . 1 . 1 101 101 ALA HA H 1 3.5150 0.0000 . 1 . . . . A 322 ALA HA . 30691 1 1081 . 1 . 1 101 101 ALA HB1 H 1 1.1500 0.0000 . 1 . . . . A 322 ALA HB1 . 30691 1 1082 . 1 . 1 101 101 ALA HB2 H 1 1.1500 0.0000 . 1 . . . . A 322 ALA HB2 . 30691 1 1083 . 1 . 1 101 101 ALA HB3 H 1 1.1500 0.0000 . 1 . . . . A 322 ALA HB3 . 30691 1 1084 . 1 . 1 101 101 ALA C C 13 177.7440 0.0000 . 1 . . . . A 322 ALA C . 30691 1 1085 . 1 . 1 101 101 ALA CA C 13 54.5310 0.0000 . 1 . . . . A 322 ALA CA . 30691 1 1086 . 1 . 1 101 101 ALA CB C 13 18.3300 0.0000 . 1 . . . . A 322 ALA CB . 30691 1 1087 . 1 . 1 101 101 ALA N N 15 120.7390 0.0000 . 1 . . . . A 322 ALA N . 30691 1 1088 . 1 . 1 102 102 TYR H H 1 8.5670 0.0000 . 1 . . . . A 323 TYR H . 30691 1 1089 . 1 . 1 102 102 TYR HA H 1 3.9680 0.0000 . 1 . . . . A 323 TYR HA . 30691 1 1090 . 1 . 1 102 102 TYR HB2 H 1 2.9230 0.0000 . 2 . . . . A 323 TYR HB2 . 30691 1 1091 . 1 . 1 102 102 TYR HB3 H 1 3.1680 0.0000 . 2 . . . . A 323 TYR HB3 . 30691 1 1092 . 1 . 1 102 102 TYR HD1 H 1 7.0140 0.0000 . 3 . . . . A 323 TYR HD1 . 30691 1 1093 . 1 . 1 102 102 TYR HD2 H 1 7.0140 0.0000 . 3 . . . . A 323 TYR HD2 . 30691 1 1094 . 1 . 1 102 102 TYR HE1 H 1 6.8490 0.0000 . 3 . . . . A 323 TYR HE1 . 30691 1 1095 . 1 . 1 102 102 TYR HE2 H 1 6.8490 0.0000 . 3 . . . . A 323 TYR HE2 . 30691 1 1096 . 1 . 1 102 102 TYR C C 13 178.3890 0.0000 . 1 . . . . A 323 TYR C . 30691 1 1097 . 1 . 1 102 102 TYR CA C 13 61.0510 0.0000 . 1 . . . . A 323 TYR CA . 30691 1 1098 . 1 . 1 102 102 TYR CB C 13 37.0288 0.0000 . 1 . . . . A 323 TYR CB . 30691 1 1099 . 1 . 1 102 102 TYR CD1 C 13 131.5200 0.0000 . 3 . . . . A 323 TYR CD1 . 30691 1 1100 . 1 . 1 102 102 TYR CD2 C 13 131.5200 0.0000 . 3 . . . . A 323 TYR CD2 . 30691 1 1101 . 1 . 1 102 102 TYR CE1 C 13 118.2420 0.0000 . 3 . . . . A 323 TYR CE1 . 30691 1 1102 . 1 . 1 102 102 TYR CE2 C 13 118.2420 0.0000 . 3 . . . . A 323 TYR CE2 . 30691 1 1103 . 1 . 1 102 102 TYR N N 15 116.4600 0.0000 . 1 . . . . A 323 TYR N . 30691 1 1104 . 1 . 1 103 103 GLU H H 1 7.6110 0.0000 . 1 . . . . A 324 GLU H . 30691 1 1105 . 1 . 1 103 103 GLU HA H 1 3.9410 0.0000 . 1 . . . . A 324 GLU HA . 30691 1 1106 . 1 . 1 103 103 GLU HB2 H 1 2.2260 0.0000 . 2 . . . . A 324 GLU HB2 . 30691 1 1107 . 1 . 1 103 103 GLU HB3 H 1 2.2830 0.0000 . 2 . . . . A 324 GLU HB3 . 30691 1 1108 . 1 . 1 103 103 GLU HG2 H 1 2.3940 0.0000 . 2 . . . . A 324 GLU HG2 . 30691 1 1109 . 1 . 1 103 103 GLU HG3 H 1 2.3940 0.0000 . 2 . . . . A 324 GLU HG3 . 30691 1 1110 . 1 . 1 103 103 GLU C C 13 178.3660 0.0000 . 1 . . . . A 324 GLU C . 30691 1 1111 . 1 . 1 103 103 GLU CA C 13 59.4950 0.0000 . 1 . . . . A 324 GLU CA . 30691 1 1112 . 1 . 1 103 103 GLU CB C 13 29.2280 0.0000 . 1 . . . . A 324 GLU CB . 30691 1 1113 . 1 . 1 103 103 GLU CG C 13 36.3270 0.0000 . 1 . . . . A 324 GLU CG . 30691 1 1114 . 1 . 1 103 103 GLU N N 15 119.9940 0.0000 . 1 . . . . A 324 GLU N . 30691 1 1115 . 1 . 1 104 104 LEU H H 1 7.5400 0.0000 . 1 . . . . A 325 LEU H . 30691 1 1116 . 1 . 1 104 104 LEU HA H 1 3.5520 0.0000 . 1 . . . . A 325 LEU HA . 30691 1 1117 . 1 . 1 104 104 LEU HB2 H 1 0.7630 0.0000 . 2 . . . . A 325 LEU HB2 . 30691 1 1118 . 1 . 1 104 104 LEU HB3 H 1 1.3060 0.0000 . 2 . . . . A 325 LEU HB3 . 30691 1 1119 . 1 . 1 104 104 LEU HG H 1 1.0550 0.0000 . 1 . . . . A 325 LEU HG . 30691 1 1120 . 1 . 1 104 104 LEU HD11 H 1 0.2540 0.0000 . 2 . . . . A 325 LEU HD11 . 30691 1 1121 . 1 . 1 104 104 LEU HD12 H 1 0.2540 0.0000 . 2 . . . . A 325 LEU HD12 . 30691 1 1122 . 1 . 1 104 104 LEU HD13 H 1 0.2540 0.0000 . 2 . . . . A 325 LEU HD13 . 30691 1 1123 . 1 . 1 104 104 LEU HD21 H 1 0.3450 0.0000 . 2 . . . . A 325 LEU HD21 . 30691 1 1124 . 1 . 1 104 104 LEU HD22 H 1 0.3450 0.0000 . 2 . . . . A 325 LEU HD22 . 30691 1 1125 . 1 . 1 104 104 LEU HD23 H 1 0.3450 0.0000 . 2 . . . . A 325 LEU HD23 . 30691 1 1126 . 1 . 1 104 104 LEU C C 13 178.5890 0.0000 . 1 . . . . A 325 LEU C . 30691 1 1127 . 1 . 1 104 104 LEU CA C 13 58.0070 0.0000 . 1 . . . . A 325 LEU CA . 30691 1 1128 . 1 . 1 104 104 LEU CB C 13 40.3270 0.0000 . 1 . . . . A 325 LEU CB . 30691 1 1129 . 1 . 1 104 104 LEU CG C 13 26.4210 0.0000 . 1 . . . . A 325 LEU CG . 30691 1 1130 . 1 . 1 104 104 LEU CD1 C 13 24.5200 0.0000 . 2 . . . . A 325 LEU CD1 . 30691 1 1131 . 1 . 1 104 104 LEU CD2 C 13 23.4930 0.0000 . 2 . . . . A 325 LEU CD2 . 30691 1 1132 . 1 . 1 104 104 LEU N N 15 120.8530 0.0000 . 1 . . . . A 325 LEU N . 30691 1 1133 . 1 . 1 105 105 PHE C C 13 178.6430 0.0000 . 1 . . . . A 326 PHE C . 30691 1 1134 . 1 . 1 105 105 PHE CA C 13 59.0650 0.0000 . 1 . . . . A 326 PHE CA . 30691 1 1135 . 1 . 1 106 106 ARG H H 1 8.1150 0.0000 . 1 . . . . A 327 ARG H . 30691 1 1136 . 1 . 1 106 106 ARG HA H 1 4.1530 0.0000 . 1 . . . . A 327 ARG HA . 30691 1 1137 . 1 . 1 106 106 ARG HB2 H 1 1.8140 0.0000 . 2 . . . . A 327 ARG HB2 . 30691 1 1138 . 1 . 1 106 106 ARG HB3 H 1 1.8140 0.0000 . 2 . . . . A 327 ARG HB3 . 30691 1 1139 . 1 . 1 106 106 ARG C C 13 180.2970 0.0000 . 1 . . . . A 327 ARG C . 30691 1 1140 . 1 . 1 106 106 ARG CA C 13 59.7940 0.0000 . 1 . . . . A 327 ARG CA . 30691 1 1141 . 1 . 1 106 106 ARG CB C 13 29.9430 0.0000 . 1 . . . . A 327 ARG CB . 30691 1 1142 . 1 . 1 106 106 ARG CG C 13 27.8732 0.0000 . 1 . . . . A 327 ARG CG . 30691 1 1143 . 1 . 1 106 106 ARG CD C 13 43.4380 0.0000 . 1 . . . . A 327 ARG CD . 30691 1 1144 . 1 . 1 106 106 ARG N N 15 120.3270 0.0000 . 1 . . . . A 327 ARG N . 30691 1 1145 . 1 . 1 107 107 LYS H H 1 7.9940 0.0000 . 1 . . . . A 328 LYS H . 30691 1 1146 . 1 . 1 107 107 LYS HA H 1 4.1470 0.0000 . 1 . . . . A 328 LYS HA . 30691 1 1147 . 1 . 1 107 107 LYS HB2 H 1 1.9870 0.0000 . 2 . . . . A 328 LYS HB2 . 30691 1 1148 . 1 . 1 107 107 LYS HB3 H 1 1.9870 0.0000 . 2 . . . . A 328 LYS HB3 . 30691 1 1149 . 1 . 1 107 107 LYS C C 13 178.2570 0.0000 . 1 . . . . A 328 LYS C . 30691 1 1150 . 1 . 1 107 107 LYS CA C 13 58.7860 0.0000 . 1 . . . . A 328 LYS CA . 30691 1 1151 . 1 . 1 107 107 LYS CB C 13 32.4730 0.0000 . 1 . . . . A 328 LYS CB . 30691 1 1152 . 1 . 1 107 107 LYS CG C 13 25.6930 0.0000 . 1 . . . . A 328 LYS CG . 30691 1 1153 . 1 . 1 107 107 LYS CD C 13 29.0682 0.0000 . 1 . . . . A 328 LYS CD . 30691 1 1154 . 1 . 1 107 107 LYS N N 15 120.4560 0.0000 . 1 . . . . A 328 LYS N . 30691 1 1155 . 1 . 1 108 108 MET H H 1 7.9680 0.0000 . 1 . . . . A 329 MET H . 30691 1 1156 . 1 . 1 108 108 MET HA H 1 4.0760 0.0000 . 1 . . . . A 329 MET HA . 30691 1 1157 . 1 . 1 108 108 MET HB2 H 1 2.3230 0.0000 . 2 . . . . A 329 MET HB2 . 30691 1 1158 . 1 . 1 108 108 MET HB3 H 1 2.5690 0.0000 . 2 . . . . A 329 MET HB3 . 30691 1 1159 . 1 . 1 108 108 MET HG2 H 1 1.9570 0.0000 . 2 . . . . A 329 MET HG2 . 30691 1 1160 . 1 . 1 108 108 MET HG3 H 1 2.0860 0.0000 . 2 . . . . A 329 MET HG3 . 30691 1 1161 . 1 . 1 108 108 MET HE1 H 1 1.6790 0.0000 . 1 . . . . A 329 MET HE1 . 30691 1 1162 . 1 . 1 108 108 MET HE2 H 1 1.6790 0.0000 . 1 . . . . A 329 MET HE2 . 30691 1 1163 . 1 . 1 108 108 MET HE3 H 1 1.6790 0.0000 . 1 . . . . A 329 MET HE3 . 30691 1 1164 . 1 . 1 108 108 MET CA C 13 57.4260 0.0000 . 1 . . . . A 329 MET CA . 30691 1 1165 . 1 . 1 108 108 MET CB C 13 32.7570 0.0000 . 1 . . . . A 329 MET CB . 30691 1 1166 . 1 . 1 108 108 MET CG C 13 34.6960 0.0000 . 1 . . . . A 329 MET CG . 30691 1 1167 . 1 . 1 108 108 MET CE C 13 16.6310 0.0000 . 1 . . . . A 329 MET CE . 30691 1 1168 . 1 . 1 108 108 MET N N 15 117.0350 0.0000 . 1 . . . . A 329 MET N . 30691 1 1169 . 1 . 1 110 110 ILE H H 1 7.7730 0.0000 . 1 . . . . A 331 ILE H . 30691 1 1170 . 1 . 1 110 110 ILE HA H 1 4.0250 0.0000 . 1 . . . . A 331 ILE HA . 30691 1 1171 . 1 . 1 110 110 ILE HB H 1 1.6590 0.0000 . 1 . . . . A 331 ILE HB . 30691 1 1172 . 1 . 1 110 110 ILE HG12 H 1 0.9580 0.0000 . 2 . . . . A 331 ILE HG12 . 30691 1 1173 . 1 . 1 110 110 ILE HG13 H 1 1.3640 0.0000 . 2 . . . . A 331 ILE HG13 . 30691 1 1174 . 1 . 1 110 110 ILE HG21 H 1 0.7470 0.0000 . 1 . . . . A 331 ILE HG21 . 30691 1 1175 . 1 . 1 110 110 ILE HG22 H 1 0.7470 0.0000 . 1 . . . . A 331 ILE HG22 . 30691 1 1176 . 1 . 1 110 110 ILE HG23 H 1 0.7470 0.0000 . 1 . . . . A 331 ILE HG23 . 30691 1 1177 . 1 . 1 110 110 ILE HD11 H 1 0.5740 0.0000 . 1 . . . . A 331 ILE HD11 . 30691 1 1178 . 1 . 1 110 110 ILE HD12 H 1 0.5740 0.0000 . 1 . . . . A 331 ILE HD12 . 30691 1 1179 . 1 . 1 110 110 ILE HD13 H 1 0.5740 0.0000 . 1 . . . . A 331 ILE HD13 . 30691 1 1180 . 1 . 1 110 110 ILE CA C 13 61.7610 0.0000 . 1 . . . . A 331 ILE CA . 30691 1 1181 . 1 . 1 110 110 ILE CB C 13 38.4180 0.0000 . 1 . . . . A 331 ILE CB . 30691 1 1182 . 1 . 1 110 110 ILE CG1 C 13 27.5450 0.0000 . 1 . . . . A 331 ILE CG1 . 30691 1 1183 . 1 . 1 110 110 ILE CG2 C 13 17.4740 0.0000 . 1 . . . . A 331 ILE CG2 . 30691 1 1184 . 1 . 1 110 110 ILE CD1 C 13 13.3790 0.0000 . 1 . . . . A 331 ILE CD1 . 30691 1 1185 . 1 . 1 110 110 ILE N N 15 118.7560 0.0000 . 1 . . . . A 331 ILE N . 30691 1 stop_ save_