data_16194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16194 _Entry.Title ; Structure of the third qRRM domain of hnRNP F in complex with a AGGGAU G-tract RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-02 _Entry.Accession_date 2009-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Frederic Allain . H.T. . 16194 2 Cyril Dominguez . . . 16194 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16194 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G tract' . 16194 'polyadenylation regulation' . 16194 'protein-RNA complex' . 16194 'splicing regulation' . 16194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 16194 '15N chemical shifts' 114 16194 '1H chemical shifts' 700 16194 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 . . 2010-07-09 2009-02-03 update BMRB 'complete entry citation' 16194 1 . . 2010-06-15 2009-02-03 original author 'original release' 16194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HGN 'NMR structure of the third qRRM domain of human hnRNP F' 16194 PDB 2KG1 'BMRB Entry Tracking System' 16194 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526337 _Citation.Full_citation . _Citation.Title 'Structural basis of G-tract recognition and encaging by hnRNP F quasi-RRMs.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural and molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 853 _Citation.Page_last 861 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Cyril Dominguez . . . 16194 1 2 Jean-Francois Fisette . . . 16194 1 3 Benoit Chabot . . . 16194 1 4 Frederic Allain . H.T. . 16194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16194 _Assembly.ID 1 _Assembly.Name 'hnRNP F/AGGGAU G-tract RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'AGGGAU G-tract RNA' 1 $entity_1 A . yes native no no . . . 16194 1 2 'third qRRM of hnRNP F' 2 $entity_2 B . yes native no no . . . 16194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'AGGGAU G-tract RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code AGGGAU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1955.251 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . A . 16194 1 2 . G . 16194 1 3 . G . 16194 1 4 . G . 16194 1 5 . A . 16194 1 6 . U . 16194 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 . A 1 1 16194 1 . G 2 2 16194 1 . G 3 3 16194 1 . G 4 4 16194 1 . A 5 5 16194 1 . U 6 6 16194 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16194 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'third qRRM of hnRNP F' _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 ; GDSEFTVQSTTGHCVHMRGL PYKATENDIYNFFSPLNPVR VHIEIGPDGRVTGEADVEFA THEEAVAAMSKDRANMQHRY IELFLNSTTGASNGAYSSQV MQGMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11508.767 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HGN . "Nmr Structure Of The Third Qrrm Domain Of Human Hnrnp F" . . . . . 100.00 139 100.00 100.00 1.52e-71 . . . . 16194 2 2 no PDB 2KG1 . "Structure Of The Third Qrrm Domain Of Hnrnp F In Complex With A Agggau G-Tract Rna" . . . . . 100.00 139 100.00 100.00 1.52e-71 . . . . 16194 2 3 no DBJ BAM09220 . "heterogenous nuclear ribonucleoprotein F, partial [Ursus thibetanus japonicus]" . . . . . 91.43 150 98.96 98.96 2.00e-63 . . . . 16194 2 4 no GB AAH23162 . "Hnrpf protein, partial [Mus musculus]" . . . . . 100.00 188 100.00 100.00 3.43e-71 . . . . 16194 2 5 no GB AEB61257 . "heterogeneous nuclear ribonucleoprotein F-like protein, partial [Equus caballus]" . . . . . 76.19 113 98.75 100.00 1.27e-50 . . . . 16194 2 6 no GB EGW08331 . "Heterogeneous nuclear ribonucleoprotein F [Cricetulus griseus]" . . . . . 100.00 185 100.00 100.00 4.18e-71 . . . . 16194 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulation of alternative splicing' 16194 2 'regulation of polyadenylation' 16194 2 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 1 277 GLY . 16194 2 2 278 ASP . 16194 2 3 279 SER . 16194 2 4 280 GLU . 16194 2 5 281 PHE . 16194 2 6 282 THR . 16194 2 7 283 VAL . 16194 2 8 284 GLN . 16194 2 9 285 SER . 16194 2 10 286 THR . 16194 2 11 287 THR . 16194 2 12 288 GLY . 16194 2 13 289 HIS . 16194 2 14 290 CYS . 16194 2 15 291 VAL . 16194 2 16 292 HIS . 16194 2 17 293 MET . 16194 2 18 294 ARG . 16194 2 19 295 GLY . 16194 2 20 296 LEU . 16194 2 21 297 PRO . 16194 2 22 298 TYR . 16194 2 23 299 LYS . 16194 2 24 300 ALA . 16194 2 25 301 THR . 16194 2 26 302 GLU . 16194 2 27 303 ASN . 16194 2 28 304 ASP . 16194 2 29 305 ILE . 16194 2 30 306 TYR . 16194 2 31 307 ASN . 16194 2 32 308 PHE . 16194 2 33 309 PHE . 16194 2 34 310 SER . 16194 2 35 311 PRO . 16194 2 36 312 LEU . 16194 2 37 313 ASN . 16194 2 38 314 PRO . 16194 2 39 315 VAL . 16194 2 40 316 ARG . 16194 2 41 317 VAL . 16194 2 42 318 HIS . 16194 2 43 319 ILE . 16194 2 44 320 GLU . 16194 2 45 321 ILE . 16194 2 46 322 GLY . 16194 2 47 323 PRO . 16194 2 48 324 ASP . 16194 2 49 325 GLY . 16194 2 50 326 ARG . 16194 2 51 327 VAL . 16194 2 52 328 THR . 16194 2 53 329 GLY . 16194 2 54 330 GLU . 16194 2 55 331 ALA . 16194 2 56 332 ASP . 16194 2 57 333 VAL . 16194 2 58 334 GLU . 16194 2 59 335 PHE . 16194 2 60 336 ALA . 16194 2 61 337 THR . 16194 2 62 338 HIS . 16194 2 63 339 GLU . 16194 2 64 340 GLU . 16194 2 65 341 ALA . 16194 2 66 342 VAL . 16194 2 67 343 ALA . 16194 2 68 344 ALA . 16194 2 69 345 MET . 16194 2 70 346 SER . 16194 2 71 347 LYS . 16194 2 72 348 ASP . 16194 2 73 349 ARG . 16194 2 74 350 ALA . 16194 2 75 351 ASN . 16194 2 76 352 MET . 16194 2 77 353 GLN . 16194 2 78 354 HIS . 16194 2 79 355 ARG . 16194 2 80 356 TYR . 16194 2 81 357 ILE . 16194 2 82 358 GLU . 16194 2 83 359 LEU . 16194 2 84 360 PHE . 16194 2 85 361 LEU . 16194 2 86 362 ASN . 16194 2 87 363 SER . 16194 2 88 364 THR . 16194 2 89 365 THR . 16194 2 90 366 GLY . 16194 2 91 367 ALA . 16194 2 92 368 SER . 16194 2 93 369 ASN . 16194 2 94 370 GLY . 16194 2 95 371 ALA . 16194 2 96 372 TYR . 16194 2 97 373 SER . 16194 2 98 374 SER . 16194 2 99 375 GLN . 16194 2 100 376 VAL . 16194 2 101 377 MET . 16194 2 102 378 GLN . 16194 2 103 379 GLY . 16194 2 104 380 MET . 16194 2 105 381 GLY . 16194 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16194 2 . ASP 2 2 16194 2 . SER 3 3 16194 2 . GLU 4 4 16194 2 . PHE 5 5 16194 2 . THR 6 6 16194 2 . VAL 7 7 16194 2 . GLN 8 8 16194 2 . SER 9 9 16194 2 . THR 10 10 16194 2 . THR 11 11 16194 2 . GLY 12 12 16194 2 . HIS 13 13 16194 2 . CYS 14 14 16194 2 . VAL 15 15 16194 2 . HIS 16 16 16194 2 . MET 17 17 16194 2 . ARG 18 18 16194 2 . GLY 19 19 16194 2 . LEU 20 20 16194 2 . PRO 21 21 16194 2 . TYR 22 22 16194 2 . LYS 23 23 16194 2 . ALA 24 24 16194 2 . THR 25 25 16194 2 . GLU 26 26 16194 2 . ASN 27 27 16194 2 . ASP 28 28 16194 2 . ILE 29 29 16194 2 . TYR 30 30 16194 2 . ASN 31 31 16194 2 . PHE 32 32 16194 2 . PHE 33 33 16194 2 . SER 34 34 16194 2 . PRO 35 35 16194 2 . LEU 36 36 16194 2 . ASN 37 37 16194 2 . PRO 38 38 16194 2 . VAL 39 39 16194 2 . ARG 40 40 16194 2 . VAL 41 41 16194 2 . HIS 42 42 16194 2 . ILE 43 43 16194 2 . GLU 44 44 16194 2 . ILE 45 45 16194 2 . GLY 46 46 16194 2 . PRO 47 47 16194 2 . ASP 48 48 16194 2 . GLY 49 49 16194 2 . ARG 50 50 16194 2 . VAL 51 51 16194 2 . THR 52 52 16194 2 . GLY 53 53 16194 2 . GLU 54 54 16194 2 . ALA 55 55 16194 2 . ASP 56 56 16194 2 . VAL 57 57 16194 2 . GLU 58 58 16194 2 . PHE 59 59 16194 2 . ALA 60 60 16194 2 . THR 61 61 16194 2 . HIS 62 62 16194 2 . GLU 63 63 16194 2 . GLU 64 64 16194 2 . ALA 65 65 16194 2 . VAL 66 66 16194 2 . ALA 67 67 16194 2 . ALA 68 68 16194 2 . MET 69 69 16194 2 . SER 70 70 16194 2 . LYS 71 71 16194 2 . ASP 72 72 16194 2 . ARG 73 73 16194 2 . ALA 74 74 16194 2 . ASN 75 75 16194 2 . MET 76 76 16194 2 . GLN 77 77 16194 2 . HIS 78 78 16194 2 . ARG 79 79 16194 2 . TYR 80 80 16194 2 . ILE 81 81 16194 2 . GLU 82 82 16194 2 . LEU 83 83 16194 2 . PHE 84 84 16194 2 . LEU 85 85 16194 2 . ASN 86 86 16194 2 . SER 87 87 16194 2 . THR 88 88 16194 2 . THR 89 89 16194 2 . GLY 90 90 16194 2 . ALA 91 91 16194 2 . SER 92 92 16194 2 . ASN 93 93 16194 2 . GLY 94 94 16194 2 . ALA 95 95 16194 2 . TYR 96 96 16194 2 . SER 97 97 16194 2 . SER 98 98 16194 2 . GLN 99 99 16194 2 . VAL 100 100 16194 2 . MET 101 101 16194 2 . GLN 102 102 16194 2 . GLY 103 103 16194 2 . MET 104 104 16194 2 . GLY 105 105 16194 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16194 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16194 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16194 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 16194 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16194 1 2 2 $entity_2 . 'recombinant technology' . . . . . . 'BL21 Codon Plus' . . . . . . . . . . . . . . . . . . . . . . 16194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 'natural abundance' . . 1 $entity_1 . . . 1 1.5 mM . . . . 16194 1 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . . 1 1.5 mM . . . . 16194 1 3 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 16194 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16194 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16194 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 16194 1 pH 7.0 . pH 16194 1 pressure 1 . atm 16194 1 temperature 293 . K 16194 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16194 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16194 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16194 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16194 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16194 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16194 _Software.ID 3 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16194 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16194 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16194 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16194 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16194 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16194 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16194 1 2 spectrometer_2 Bruker Avance . 600 . . . 16194 1 3 spectrometer_3 Bruker Avance . 700 . . . 16194 1 4 spectrometer_4 Bruker Avance . 900 . . . 16194 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 16194 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16194 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16194 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16194 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16194 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4 internal indirect . . . . . . . . . . 16194 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 16194 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . . . . . 16194 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16194 1 2 '2D 1H-13C HSQC' . . . 16194 1 3 '3D 1H-15N NOESY' . . . 16194 1 4 '3D 1H-13C NOESY' . . . 16194 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16194 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 A H1' H 1 5.949 0.05 . 1 . . . . 1 A H1' . 16194 1 2 . 1 1 1 1 A H2 H 1 7.925 0.05 . 1 . . . . 1 A H2 . 16194 1 3 . 1 1 1 1 A H2' H 1 4.735 0.05 . 1 . . . . 1 A H2' . 16194 1 4 . 1 1 1 1 A H3' H 1 4.729 0.05 . 1 . . . . 1 A H3' . 16194 1 5 . 1 1 1 1 A H4' H 1 4.383 0.05 . 1 . . . . 1 A H4' . 16194 1 6 . 1 1 1 1 A H5' H 1 3.779 0.05 . 1 . . . . 1 A H5' . 16194 1 7 . 1 1 1 1 A H5'' H 1 3.779 0.05 . 1 . . . . 1 A H5'' . 16194 1 8 . 1 1 1 1 A H8 H 1 8.091 0.05 . 1 . . . . 1 A H8 . 16194 1 9 . 1 1 2 2 G H1 H 1 11.206 0.05 . 1 . . . . 2 G H1 . 16194 1 10 . 1 1 2 2 G H1' H 1 5.595 0.05 . 1 . . . . 2 G H1' . 16194 1 11 . 1 1 2 2 G H2' H 1 4.554 0.05 . 1 . . . . 2 G H2' . 16194 1 12 . 1 1 2 2 G H3' H 1 4.676 0.05 . 1 . . . . 2 G H3' . 16194 1 13 . 1 1 2 2 G H4' H 1 4.340 0.05 . 1 . . . . 2 G H4' . 16194 1 14 . 1 1 2 2 G H5' H 1 4.210 0.05 . 1 . . . . 2 G H5' . 16194 1 15 . 1 1 2 2 G H5'' H 1 4.045 0.05 . 1 . . . . 2 G H5'' . 16194 1 16 . 1 1 2 2 G H8 H 1 8.187 0.05 . 1 . . . . 2 G H8 . 16194 1 17 . 1 1 3 3 G H1 H 1 11.194 0.05 . 1 . . . . 3 G H1 . 16194 1 18 . 1 1 3 3 G H1' H 1 5.887 0.05 . 1 . . . . 3 G H1' . 16194 1 19 . 1 1 3 3 G H2' H 1 4.810 0.05 . 1 . . . . 3 G H2' . 16194 1 20 . 1 1 3 3 G H3' H 1 4.624 0.05 . 1 . . . . 3 G H3' . 16194 1 21 . 1 1 3 3 G H4' H 1 3.881 0.05 . 1 . . . . 3 G H4' . 16194 1 22 . 1 1 3 3 G H5' H 1 3.736 0.05 . 1 . . . . 3 G H5' . 16194 1 23 . 1 1 3 3 G H5'' H 1 2.953 0.05 . 1 . . . . 3 G H5'' . 16194 1 24 . 1 1 3 3 G H8 H 1 8.043 0.05 . 1 . . . . 3 G H8 . 16194 1 25 . 1 1 4 4 G H1 H 1 10.953 0.05 . 1 . . . . 4 G H1 . 16194 1 26 . 1 1 4 4 G H1' H 1 5.845 0.05 . 1 . . . . 4 G H1' . 16194 1 27 . 1 1 4 4 G H2' H 1 4.985 0.05 . 1 . . . . 4 G H2' . 16194 1 28 . 1 1 4 4 G H3' H 1 5.114 0.05 . 1 . . . . 4 G H3' . 16194 1 29 . 1 1 4 4 G H4' H 1 4.336 0.05 . 1 . . . . 4 G H4' . 16194 1 30 . 1 1 4 4 G H5' H 1 4.073 0.05 . 1 . . . . 4 G H5' . 16194 1 31 . 1 1 4 4 G H5'' H 1 4.073 0.05 . 1 . . . . 4 G H5'' . 16194 1 32 . 1 1 4 4 G H8 H 1 7.857 0.05 . 1 . . . . 4 G H8 . 16194 1 33 . 1 1 5 5 A H1' H 1 5.881 0.05 . 1 . . . . 5 A H1' . 16194 1 34 . 1 1 5 5 A H2 H 1 7.842 0.05 . 1 . . . . 5 A H2 . 16194 1 35 . 1 1 5 5 A H2' H 1 4.622 0.05 . 1 . . . . 5 A H2' . 16194 1 36 . 1 1 5 5 A H3' H 1 4.581 0.05 . 1 . . . . 5 A H3' . 16194 1 37 . 1 1 5 5 A H4' H 1 4.422 0.05 . 1 . . . . 5 A H4' . 16194 1 38 . 1 1 5 5 A H5' H 1 4.217 0.05 . 1 . . . . 5 A H5' . 16194 1 39 . 1 1 5 5 A H5'' H 1 4.150 0.05 . 1 . . . . 5 A H5'' . 16194 1 40 . 1 1 5 5 A H8 H 1 8.228 0.05 . 1 . . . . 5 A H8 . 16194 1 41 . 1 1 6 6 U H1' H 1 5.522 0.05 . 1 . . . . 6 U H1' . 16194 1 42 . 1 1 6 6 U H2' H 1 4.017 0.05 . 1 . . . . 6 U H2' . 16194 1 43 . 1 1 6 6 U H3' H 1 4.077 0.05 . 1 . . . . 6 U H3' . 16194 1 44 . 1 1 6 6 U H4' H 1 4.154 0.05 . 1 . . . . 6 U H4' . 16194 1 45 . 1 1 6 6 U H5 H 1 5.434 0.05 . 1 . . . . 6 U H5 . 16194 1 46 . 1 1 6 6 U H5' H 1 4.605 0.05 . 1 . . . . 6 U H5' . 16194 1 47 . 1 1 6 6 U H5'' H 1 4.605 0.05 . 1 . . . . 6 U H5'' . 16194 1 48 . 1 1 6 6 U H6 H 1 7.491 0.05 . 1 . . . . 6 U H6 . 16194 1 49 . 2 2 1 1 GLY H H 1 8.442 0.05 . 1 . . . . 277 G HN . 16194 1 50 . 2 2 1 1 GLY HA2 H 1 3.839 0.05 . 2 . . . . 277 G QA . 16194 1 51 . 2 2 1 1 GLY HA3 H 1 3.839 0.05 . 2 . . . . 277 G QA . 16194 1 52 . 2 2 1 1 GLY N N 15 110.992 0.2 . 1 . . . . 277 G N . 16194 1 53 . 2 2 2 2 ASP H H 1 8.088 0.05 . 1 . . . . 278 D HN . 16194 1 54 . 2 2 2 2 ASP HA H 1 4.473 0.05 . 1 . . . . 278 D HA . 16194 1 55 . 2 2 2 2 ASP HB2 H 1 2.530 0.05 . 2 . . . . 278 D QB . 16194 1 56 . 2 2 2 2 ASP HB3 H 1 2.530 0.05 . 2 . . . . 278 D QB . 16194 1 57 . 2 2 2 2 ASP N N 15 120.576 0.2 . 1 . . . . 278 D N . 16194 1 58 . 2 2 3 3 SER H H 1 8.162 0.05 . 1 . . . . 279 S HN . 16194 1 59 . 2 2 3 3 SER HA H 1 4.279 0.05 . 1 . . . . 279 S HA . 16194 1 60 . 2 2 3 3 SER HB2 H 1 3.737 0.05 . 2 . . . . 279 S QB . 16194 1 61 . 2 2 3 3 SER HB3 H 1 3.737 0.05 . 2 . . . . 279 S QB . 16194 1 62 . 2 2 3 3 SER CA C 13 58.453 0.2 . 1 . . . . 279 S CA . 16194 1 63 . 2 2 3 3 SER CB C 13 63.742 0.2 . 1 . . . . 279 S CB . 16194 1 64 . 2 2 3 3 SER N N 15 115.819 0.2 . 1 . . . . 279 S N . 16194 1 65 . 2 2 4 4 GLU H H 1 8.330 0.05 . 1 . . . . 280 E HN . 16194 1 66 . 2 2 4 4 GLU HA H 1 4.047 0.05 . 1 . . . . 280 E HA . 16194 1 67 . 2 2 4 4 GLU HB2 H 1 1.732 0.05 . 2 . . . . 280 E QB . 16194 1 68 . 2 2 4 4 GLU HB3 H 1 1.732 0.05 . 2 . . . . 280 E QB . 16194 1 69 . 2 2 4 4 GLU HG2 H 1 1.952 0.05 . 2 . . . . 280 E QG . 16194 1 70 . 2 2 4 4 GLU HG3 H 1 1.952 0.05 . 2 . . . . 280 E QG . 16194 1 71 . 2 2 4 4 GLU CA C 13 56.835 0.2 . 1 . . . . 280 E CA . 16194 1 72 . 2 2 4 4 GLU CB C 13 30.062 0.2 . 1 . . . . 280 E CB . 16194 1 73 . 2 2 4 4 GLU CG C 13 36.290 0.2 . 1 . . . . 280 E CG . 16194 1 74 . 2 2 4 4 GLU N N 15 122.396 0.2 . 1 . . . . 280 E N . 16194 1 75 . 2 2 5 5 PHE H H 1 8.040 0.05 . 1 . . . . 281 F HN . 16194 1 76 . 2 2 5 5 PHE HA H 1 4.515 0.05 . 1 . . . . 281 F HA . 16194 1 77 . 2 2 5 5 PHE HB2 H 1 2.989 0.05 . 2 . . . . 281 F HB2 . 16194 1 78 . 2 2 5 5 PHE HB3 H 1 2.821 0.05 . 2 . . . . 281 F HB3 . 16194 1 79 . 2 2 5 5 PHE HD1 H 1 7.056 0.05 . 3 . . . . 281 F QD . 16194 1 80 . 2 2 5 5 PHE HD2 H 1 7.056 0.05 . 3 . . . . 281 F QD . 16194 1 81 . 2 2 5 5 PHE HE1 H 1 7.146 0.05 . 3 . . . . 281 F QE . 16194 1 82 . 2 2 5 5 PHE HE2 H 1 7.146 0.05 . 3 . . . . 281 F QE . 16194 1 83 . 2 2 5 5 PHE CA C 13 57.621 0.2 . 1 . . . . 281 F CA . 16194 1 84 . 2 2 5 5 PHE CB C 13 39.401 0.2 . 1 . . . . 281 F CB . 16194 1 85 . 2 2 5 5 PHE CD1 C 13 131.624 0.2 . 3 . . . . 281 F CD1 . 16194 1 86 . 2 2 5 5 PHE CE1 C 13 131.410 0.2 . 3 . . . . 281 F CE1 . 16194 1 87 . 2 2 5 5 PHE N N 15 120.287 0.2 . 1 . . . . 281 F N . 16194 1 88 . 2 2 6 6 THR H H 1 7.875 0.05 . 1 . . . . 282 T HN . 16194 1 89 . 2 2 6 6 THR HA H 1 4.159 0.05 . 1 . . . . 282 T HA . 16194 1 90 . 2 2 6 6 THR HB H 1 3.955 0.05 . 1 . . . . 282 T HB . 16194 1 91 . 2 2 6 6 THR CA C 13 61.653 0.2 . 1 . . . . 282 T CA . 16194 1 92 . 2 2 6 6 THR CB C 13 70.004 0.2 . 1 . . . . 282 T CB . 16194 1 93 . 2 2 6 6 THR N N 15 116.604 0.2 . 1 . . . . 282 T N . 16194 1 94 . 2 2 7 7 VAL H H 1 8.038 0.05 . 1 . . . . 283 V HN . 16194 1 95 . 2 2 7 7 VAL HA H 1 3.905 0.05 . 1 . . . . 283 V HA . 16194 1 96 . 2 2 7 7 VAL HB H 1 1.885 0.05 . 1 . . . . 283 V HB . 16194 1 97 . 2 2 7 7 VAL HG11 H 1 0.786 0.05 . 1 . . . . 283 V QG1 . 16194 1 98 . 2 2 7 7 VAL HG12 H 1 0.786 0.05 . 1 . . . . 283 V QG1 . 16194 1 99 . 2 2 7 7 VAL HG13 H 1 0.786 0.05 . 1 . . . . 283 V QG1 . 16194 1 100 . 2 2 7 7 VAL HG21 H 1 0.780 0.05 . 1 . . . . 283 V QG2 . 16194 1 101 . 2 2 7 7 VAL HG22 H 1 0.780 0.05 . 1 . . . . 283 V QG2 . 16194 1 102 . 2 2 7 7 VAL HG23 H 1 0.780 0.05 . 1 . . . . 283 V QG2 . 16194 1 103 . 2 2 7 7 VAL CA C 13 62.153 0.2 . 1 . . . . 283 V CA . 16194 1 104 . 2 2 7 7 VAL CB C 13 32.453 0.2 . 1 . . . . 283 V CB . 16194 1 105 . 2 2 7 7 VAL CG1 C 13 20.702 0.2 . 2 . . . . 283 V CG1 . 16194 1 106 . 2 2 7 7 VAL CG2 C 13 20.676 0.2 . 2 . . . . 283 V CG2 . 16194 1 107 . 2 2 7 7 VAL N N 15 122.876 0.2 . 1 . . . . 283 V N . 16194 1 108 . 2 2 8 8 GLN H H 1 8.330 0.05 . 1 . . . . 284 Q HN . 16194 1 109 . 2 2 8 8 GLN HA H 1 4.175 0.05 . 1 . . . . 284 Q HA . 16194 1 110 . 2 2 8 8 GLN HB2 H 1 1.930 0.05 . 2 . . . . 284 Q HB2 . 16194 1 111 . 2 2 8 8 GLN HB3 H 1 1.792 0.05 . 2 . . . . 284 Q HB3 . 16194 1 112 . 2 2 8 8 GLN HE21 H 1 7.387 0.05 . 2 . . . . 284 Q HE21 . 16194 1 113 . 2 2 8 8 GLN HE22 H 1 6.739 0.05 . 2 . . . . 284 Q HE22 . 16194 1 114 . 2 2 8 8 GLN HG2 H 1 2.186 0.05 . 2 . . . . 284 Q QG . 16194 1 115 . 2 2 8 8 GLN HG3 H 1 2.186 0.05 . 2 . . . . 284 Q QG . 16194 1 116 . 2 2 8 8 GLN CA C 13 55.948 0.2 . 1 . . . . 284 Q CA . 16194 1 117 . 2 2 8 8 GLN CB C 13 29.358 0.2 . 1 . . . . 284 Q CB . 16194 1 118 . 2 2 8 8 GLN CG C 13 33.658 0.2 . 1 . . . . 284 Q CG . 16194 1 119 . 2 2 8 8 GLN N N 15 124.305 0.2 . 1 . . . . 284 Q N . 16194 1 120 . 2 2 8 8 GLN NE2 N 15 112.424 0.2 . 1 . . . . 284 Q NE2 . 16194 1 121 . 2 2 9 9 SER H H 1 8.245 0.05 . 1 . . . . 285 S HN . 16194 1 122 . 2 2 9 9 SER HA H 1 4.281 0.05 . 1 . . . . 285 S HA . 16194 1 123 . 2 2 9 9 SER HB2 H 1 3.690 0.05 . 2 . . . . 285 S QB . 16194 1 124 . 2 2 9 9 SER HB3 H 1 3.690 0.05 . 2 . . . . 285 S QB . 16194 1 125 . 2 2 9 9 SER CA C 13 58.543 0.2 . 1 . . . . 285 S CA . 16194 1 126 . 2 2 9 9 SER CB C 13 63.824 0.2 . 1 . . . . 285 S CB . 16194 1 127 . 2 2 9 9 SER N N 15 117.700 0.2 . 1 . . . . 285 S N . 16194 1 128 . 2 2 10 10 THR H H 1 8.094 0.05 . 1 . . . . 286 T HN . 16194 1 129 . 2 2 10 10 THR HA H 1 4.551 0.05 . 1 . . . . 286 T HA . 16194 1 130 . 2 2 10 10 THR HB H 1 4.089 0.05 . 1 . . . . 286 T HB . 16194 1 131 . 2 2 10 10 THR HG21 H 1 0.990 0.05 . 1 . . . . 286 T QG2 . 16194 1 132 . 2 2 10 10 THR HG22 H 1 0.990 0.05 . 1 . . . . 286 T QG2 . 16194 1 133 . 2 2 10 10 THR HG23 H 1 0.990 0.05 . 1 . . . . 286 T QG2 . 16194 1 134 . 2 2 10 10 THR CA C 13 60.763 0.2 . 1 . . . . 286 T CA . 16194 1 135 . 2 2 10 10 THR CB C 13 70.531 0.2 . 1 . . . . 286 T CB . 16194 1 136 . 2 2 10 10 THR N N 15 115.391 0.2 . 1 . . . . 286 T N . 16194 1 137 . 2 2 11 11 THR H H 1 8.211 0.05 . 1 . . . . 287 T HN . 16194 1 138 . 2 2 11 11 THR HA H 1 4.162 0.05 . 1 . . . . 287 T HA . 16194 1 139 . 2 2 11 11 THR HB H 1 4.090 0.05 . 1 . . . . 287 T HB . 16194 1 140 . 2 2 11 11 THR HG21 H 1 1.053 0.05 . 1 . . . . 287 T QG2 . 16194 1 141 . 2 2 11 11 THR HG22 H 1 1.053 0.05 . 1 . . . . 287 T QG2 . 16194 1 142 . 2 2 11 11 THR HG23 H 1 1.053 0.05 . 1 . . . . 287 T QG2 . 16194 1 143 . 2 2 11 11 THR CA C 13 61.779 0.2 . 1 . . . . 287 T CA . 16194 1 144 . 2 2 11 11 THR CB C 13 70.592 0.2 . 1 . . . . 287 T CB . 16194 1 145 . 2 2 11 11 THR CG2 C 13 21.412 0.2 . 1 . . . . 287 T CG2 . 16194 1 146 . 2 2 11 11 THR N N 15 114.466 0.2 . 1 . . . . 287 T N . 16194 1 147 . 2 2 12 12 GLY H H 1 8.022 0.05 . 1 . . . . 288 G HN . 16194 1 148 . 2 2 12 12 GLY HA2 H 1 3.724 0.05 . 1 . . . . 288 G HA2 . 16194 1 149 . 2 2 12 12 GLY HA3 H 1 3.546 0.05 . 2 . . . . 288 G HA3 . 16194 1 150 . 2 2 12 12 GLY CA C 13 44.592 0.2 . 1 . . . . 288 G CA . 16194 1 151 . 2 2 12 12 GLY N N 15 108.278 0.2 . 1 . . . . 288 G N . 16194 1 152 . 2 2 13 13 HIS H H 1 8.467 0.05 . 1 . . . . 289 H HN . 16194 1 153 . 2 2 13 13 HIS HA H 1 5.000 0.05 . 1 . . . . 289 H HA . 16194 1 154 . 2 2 13 13 HIS HB2 H 1 3.431 0.05 . 2 . . . . 289 H HB2 . 16194 1 155 . 2 2 13 13 HIS HB3 H 1 2.614 0.05 . 2 . . . . 289 H HB3 . 16194 1 156 . 2 2 13 13 HIS HD2 H 1 6.827 0.05 . 1 . . . . 289 H HD2 . 16194 1 157 . 2 2 13 13 HIS CA C 13 53.961 0.2 . 1 . . . . 289 H CA . 16194 1 158 . 2 2 13 13 HIS CB C 13 27.443 0.2 . 1 . . . . 289 H CB . 16194 1 159 . 2 2 13 13 HIS CD2 C 13 123.517 0.2 . 1 . . . . 289 H CD2 . 16194 1 160 . 2 2 13 13 HIS N N 15 121.596 0.2 . 1 . . . . 289 H N . 16194 1 161 . 2 2 14 14 CYS H H 1 7.773 0.05 . 1 . . . . 290 C HN . 16194 1 162 . 2 2 14 14 CYS HA H 1 5.572 0.05 . 1 . . . . 290 C HA . 16194 1 163 . 2 2 14 14 CYS HB2 H 1 2.942 0.05 . 2 . . . . 290 C QB . 16194 1 164 . 2 2 14 14 CYS HB3 H 1 2.942 0.05 . 2 . . . . 290 C QB . 16194 1 165 . 2 2 14 14 CYS CA C 13 57.190 0.2 . 1 . . . . 290 C CA . 16194 1 166 . 2 2 14 14 CYS CB C 13 31.239 0.2 . 1 . . . . 290 C CB . 16194 1 167 . 2 2 14 14 CYS N N 15 122.262 0.2 . 1 . . . . 290 C N . 16194 1 168 . 2 2 15 15 VAL H H 1 9.159 0.05 . 1 . . . . 291 V HN . 16194 1 169 . 2 2 15 15 VAL HA H 1 4.685 0.05 . 1 . . . . 291 V HA . 16194 1 170 . 2 2 15 15 VAL HB H 1 1.786 0.05 . 1 . . . . 291 V HB . 16194 1 171 . 2 2 15 15 VAL HG11 H 1 0.945 0.05 . 1 . . . . 291 V QG1 . 16194 1 172 . 2 2 15 15 VAL HG12 H 1 0.945 0.05 . 1 . . . . 291 V QG1 . 16194 1 173 . 2 2 15 15 VAL HG13 H 1 0.945 0.05 . 1 . . . . 291 V QG1 . 16194 1 174 . 2 2 15 15 VAL HG21 H 1 0.851 0.05 . 1 . . . . 291 V QG2 . 16194 1 175 . 2 2 15 15 VAL HG22 H 1 0.851 0.05 . 1 . . . . 291 V QG2 . 16194 1 176 . 2 2 15 15 VAL HG23 H 1 0.851 0.05 . 1 . . . . 291 V QG2 . 16194 1 177 . 2 2 15 15 VAL CB C 13 36.067 0.2 . 1 . . . . 291 V CB . 16194 1 178 . 2 2 15 15 VAL CG1 C 13 23.371 0.2 . 2 . . . . 291 V CG1 . 16194 1 179 . 2 2 15 15 VAL CG2 C 13 22.487 0.2 . 2 . . . . 291 V CG2 . 16194 1 180 . 2 2 15 15 VAL N N 15 121.872 0.2 . 1 . . . . 291 V N . 16194 1 181 . 2 2 16 16 HIS H H 1 9.562 0.05 . 1 . . . . 292 H HN . 16194 1 182 . 2 2 16 16 HIS HA H 1 5.476 0.05 . 1 . . . . 292 H HA . 16194 1 183 . 2 2 16 16 HIS HB2 H 1 3.134 0.05 . 2 . . . . 292 H QB . 16194 1 184 . 2 2 16 16 HIS HB3 H 1 3.134 0.05 . 2 . . . . 292 H QB . 16194 1 185 . 2 2 16 16 HIS HD2 H 1 6.579 0.05 . 1 . . . . 292 H HD2 . 16194 1 186 . 2 2 16 16 HIS HE1 H 1 6.954 0.05 . 1 . . . . 292 H HE1 . 16194 1 187 . 2 2 16 16 HIS CA C 13 54.287 0.2 . 1 . . . . 292 H CA . 16194 1 188 . 2 2 16 16 HIS CB C 13 30.819 0.2 . 1 . . . . 292 H CB . 16194 1 189 . 2 2 16 16 HIS CD2 C 13 119.070 0.2 . 1 . . . . 292 H CD2 . 16194 1 190 . 2 2 16 16 HIS CE1 C 13 132.148 0.2 . 1 . . . . 292 H CE1 . 16194 1 191 . 2 2 16 16 HIS N N 15 125.939 0.2 . 1 . . . . 292 H N . 16194 1 192 . 2 2 17 17 MET H H 1 8.812 0.05 . 1 . . . . 293 M HN . 16194 1 193 . 2 2 17 17 MET HA H 1 5.249 0.05 . 1 . . . . 293 M HA . 16194 1 194 . 2 2 17 17 MET HB2 H 1 1.643 0.05 . 2 . . . . 293 M HB2 . 16194 1 195 . 2 2 17 17 MET HB3 H 1 1.466 0.05 . 2 . . . . 293 M HB3 . 16194 1 196 . 2 2 17 17 MET HE1 H 1 1.274 0.05 . 1 . . . . 293 M QE . 16194 1 197 . 2 2 17 17 MET HE2 H 1 1.274 0.05 . 1 . . . . 293 M QE . 16194 1 198 . 2 2 17 17 MET HE3 H 1 1.274 0.05 . 1 . . . . 293 M QE . 16194 1 199 . 2 2 17 17 MET HG2 H 1 2.232 0.05 . 2 . . . . 293 M HG2 . 16194 1 200 . 2 2 17 17 MET HG3 H 1 2.034 0.05 . 2 . . . . 293 M HG3 . 16194 1 201 . 2 2 17 17 MET CA C 13 53.635 0.2 . 1 . . . . 293 M CA . 16194 1 202 . 2 2 17 17 MET CB C 13 37.630 0.2 . 1 . . . . 293 M CB . 16194 1 203 . 2 2 17 17 MET CE C 13 18.597 0.2 . 1 . . . . 293 M CE . 16194 1 204 . 2 2 17 17 MET CG C 13 31.300 0.2 . 1 . . . . 293 M CG . 16194 1 205 . 2 2 17 17 MET N N 15 123.146 0.2 . 1 . . . . 293 M N . 16194 1 206 . 2 2 18 18 ARG H H 1 9.284 0.05 . 1 . . . . 294 R HN . 16194 1 207 . 2 2 18 18 ARG HA H 1 4.698 0.05 . 1 . . . . 294 R HA . 16194 1 208 . 2 2 18 18 ARG HB2 H 1 2.038 0.05 . 2 . . . . 294 R HB2 . 16194 1 209 . 2 2 18 18 ARG HB3 H 1 1.936 0.05 . 2 . . . . 294 R HB3 . 16194 1 210 . 2 2 18 18 ARG HE H 1 7.416 0.05 . 1 . . . . 294 R HE . 16194 1 211 . 2 2 18 18 ARG CB C 13 36.802 0.2 . 1 . . . . 294 R CB . 16194 1 212 . 2 2 18 18 ARG N N 15 120.087 0.2 . 1 . . . . 294 R N . 16194 1 213 . 2 2 18 18 ARG NE N 15 83.069 0.2 . 1 . . . . 294 R NE . 16194 1 214 . 2 2 19 19 GLY H H 1 7.632 0.05 . 1 . . . . 295 G HN . 16194 1 215 . 2 2 19 19 GLY HA2 H 1 4.557 0.05 . 2 . . . . 295 G QA . 16194 1 216 . 2 2 19 19 GLY HA3 H 1 4.557 0.05 . 2 . . . . 295 G QA . 16194 1 217 . 2 2 19 19 GLY N N 15 113.501 0.2 . 1 . . . . 295 G N . 16194 1 218 . 2 2 20 20 LEU H H 1 8.654 0.05 . 1 . . . . 296 L HN . 16194 1 219 . 2 2 20 20 LEU HA H 1 3.646 0.05 . 1 . . . . 296 L HA . 16194 1 220 . 2 2 20 20 LEU HB2 H 1 1.206 0.05 . 2 . . . . 296 L HB2 . 16194 1 221 . 2 2 20 20 LEU HB3 H 1 1.060 0.05 . 2 . . . . 296 L HB3 . 16194 1 222 . 2 2 20 20 LEU HD11 H 1 0.454 0.05 . 1 . . . . 296 L QD1 . 16194 1 223 . 2 2 20 20 LEU HD12 H 1 0.454 0.05 . 1 . . . . 296 L QD1 . 16194 1 224 . 2 2 20 20 LEU HD13 H 1 0.454 0.05 . 1 . . . . 296 L QD1 . 16194 1 225 . 2 2 20 20 LEU HD21 H 1 0.405 0.05 . 1 . . . . 296 L QD2 . 16194 1 226 . 2 2 20 20 LEU HD22 H 1 0.405 0.05 . 1 . . . . 296 L QD2 . 16194 1 227 . 2 2 20 20 LEU HD23 H 1 0.405 0.05 . 1 . . . . 296 L QD2 . 16194 1 228 . 2 2 20 20 LEU HG H 1 1.187 0.05 . 1 . . . . 296 L HG . 16194 1 229 . 2 2 20 20 LEU CA C 13 54.662 0.2 . 1 . . . . 296 L CA . 16194 1 230 . 2 2 20 20 LEU CB C 13 40.702 0.2 . 1 . . . . 296 L CB . 16194 1 231 . 2 2 20 20 LEU CD1 C 13 26.012 0.2 . 2 . . . . 296 L CD1 . 16194 1 232 . 2 2 20 20 LEU CD2 C 13 24.985 0.2 . 2 . . . . 296 L CD2 . 16194 1 233 . 2 2 20 20 LEU CG C 13 28.227 0.2 . 1 . . . . 296 L CG . 16194 1 234 . 2 2 20 20 LEU N N 15 120.142 0.2 . 1 . . . . 296 L N . 16194 1 235 . 2 2 21 21 PRO HA H 1 4.238 0.05 . 1 . . . . 297 P HA . 16194 1 236 . 2 2 21 21 PRO HB2 H 1 2.107 0.05 . 2 . . . . 297 P HB2 . 16194 1 237 . 2 2 21 21 PRO HB3 H 1 1.725 0.05 . 2 . . . . 297 P HB3 . 16194 1 238 . 2 2 21 21 PRO HD2 H 1 3.662 0.05 . 2 . . . . 297 P HD2 . 16194 1 239 . 2 2 21 21 PRO HD3 H 1 3.474 0.05 . 2 . . . . 297 P HD3 . 16194 1 240 . 2 2 21 21 PRO HG2 H 1 1.872 0.05 . 2 . . . . 297 P HG2 . 16194 1 241 . 2 2 21 21 PRO HG3 H 1 1.774 0.05 . 2 . . . . 297 P HG3 . 16194 1 242 . 2 2 21 21 PRO CA C 13 62.992 0.2 . 1 . . . . 297 P CA . 16194 1 243 . 2 2 21 21 PRO CB C 13 31.891 0.2 . 1 . . . . 297 P CB . 16194 1 244 . 2 2 21 21 PRO CD C 13 50.897 0.2 . 1 . . . . 297 P CD . 16194 1 245 . 2 2 21 21 PRO CG C 13 27.317 0.2 . 1 . . . . 297 P CG . 16194 1 246 . 2 2 22 22 TYR H H 1 8.005 0.05 . 1 . . . . 298 Y HN . 16194 1 247 . 2 2 22 22 TYR HA H 1 4.362 0.05 . 1 . . . . 298 Y HA . 16194 1 248 . 2 2 22 22 TYR HB2 H 1 2.936 0.05 . 2 . . . . 298 Y HB2 . 16194 1 249 . 2 2 22 22 TYR HB3 H 1 2.549 0.05 . 2 . . . . 298 Y HB3 . 16194 1 250 . 2 2 22 22 TYR HD1 H 1 6.540 0.05 . 3 . . . . 298 Y QD . 16194 1 251 . 2 2 22 22 TYR HD2 H 1 6.540 0.05 . 3 . . . . 298 Y QD . 16194 1 252 . 2 2 22 22 TYR HE1 H 1 5.716 0.05 . 3 . . . . 298 Y QE . 16194 1 253 . 2 2 22 22 TYR HE2 H 1 5.716 0.05 . 3 . . . . 298 Y QE . 16194 1 254 . 2 2 22 22 TYR CA C 13 58.538 0.2 . 1 . . . . 298 Y CA . 16194 1 255 . 2 2 22 22 TYR CB C 13 37.144 0.2 . 1 . . . . 298 Y CB . 16194 1 256 . 2 2 22 22 TYR CD1 C 13 131.014 0.2 . 3 . . . . 298 Y CD1 . 16194 1 257 . 2 2 22 22 TYR CE1 C 13 116.719 0.2 . 3 . . . . 298 Y CE1 . 16194 1 258 . 2 2 22 22 TYR N N 15 124.138 0.2 . 1 . . . . 298 Y N . 16194 1 259 . 2 2 23 23 LYS H H 1 8.428 0.05 . 1 . . . . 299 K HN . 16194 1 260 . 2 2 23 23 LYS N N 15 115.298 0.2 . 1 . . . . 299 K N . 16194 1 261 . 2 2 24 24 ALA H H 1 7.632 0.05 . 1 . . . . 300 A HN . 16194 1 262 . 2 2 24 24 ALA HA H 1 4.302 0.05 . 1 . . . . 300 A HA . 16194 1 263 . 2 2 24 24 ALA HB1 H 1 1.232 0.05 . 1 . . . . 300 A QB . 16194 1 264 . 2 2 24 24 ALA HB2 H 1 1.232 0.05 . 1 . . . . 300 A QB . 16194 1 265 . 2 2 24 24 ALA HB3 H 1 1.232 0.05 . 1 . . . . 300 A QB . 16194 1 266 . 2 2 24 24 ALA CA C 13 52.906 0.2 . 1 . . . . 300 A CA . 16194 1 267 . 2 2 24 24 ALA CB C 13 19.577 0.2 . 1 . . . . 300 A CB . 16194 1 268 . 2 2 24 24 ALA N N 15 122.832 0.2 . 1 . . . . 300 A N . 16194 1 269 . 2 2 25 25 THR H H 1 8.871 0.05 . 1 . . . . 301 T HN . 16194 1 270 . 2 2 25 25 THR HA H 1 4.531 0.05 . 1 . . . . 301 T HA . 16194 1 271 . 2 2 25 25 THR HB H 1 4.537 0.05 . 1 . . . . 301 T HB . 16194 1 272 . 2 2 25 25 THR HG21 H 1 1.198 0.05 . 1 . . . . 301 T QG2 . 16194 1 273 . 2 2 25 25 THR HG22 H 1 1.198 0.05 . 1 . . . . 301 T QG2 . 16194 1 274 . 2 2 25 25 THR HG23 H 1 1.198 0.05 . 1 . . . . 301 T QG2 . 16194 1 275 . 2 2 25 25 THR CA C 13 59.158 0.2 . 1 . . . . 301 T CA . 16194 1 276 . 2 2 25 25 THR CB C 13 72.990 0.2 . 1 . . . . 301 T CB . 16194 1 277 . 2 2 25 25 THR CG2 C 13 21.425 0.2 . 1 . . . . 301 T CG2 . 16194 1 278 . 2 2 25 25 THR N N 15 110.997 0.2 . 1 . . . . 301 T N . 16194 1 279 . 2 2 26 26 GLU H H 1 9.244 0.05 . 1 . . . . 302 E HN . 16194 1 280 . 2 2 26 26 GLU HA H 1 3.604 0.05 . 1 . . . . 302 E HA . 16194 1 281 . 2 2 26 26 GLU HB2 H 1 2.015 0.05 . 2 . . . . 302 E HB2 . 16194 1 282 . 2 2 26 26 GLU HB3 H 1 1.896 0.05 . 2 . . . . 302 E HB3 . 16194 1 283 . 2 2 26 26 GLU HG2 H 1 2.208 0.05 . 2 . . . . 302 E HG2 . 16194 1 284 . 2 2 26 26 GLU HG3 H 1 2.117 0.05 . 2 . . . . 302 E HG3 . 16194 1 285 . 2 2 26 26 GLU CA C 13 61.371 0.2 . 1 . . . . 302 E CA . 16194 1 286 . 2 2 26 26 GLU CB C 13 28.646 0.2 . 1 . . . . 302 E CB . 16194 1 287 . 2 2 26 26 GLU CG C 13 37.253 0.2 . 1 . . . . 302 E CG . 16194 1 288 . 2 2 26 26 GLU N N 15 120.093 0.2 . 1 . . . . 302 E N . 16194 1 289 . 2 2 27 27 ASN H H 1 8.279 0.05 . 1 . . . . 303 N HN . 16194 1 290 . 2 2 27 27 ASN HA H 1 4.459 0.05 . 1 . . . . 303 N HA . 16194 1 291 . 2 2 27 27 ASN HB2 H 1 2.621 0.05 . 2 . . . . 303 N HB2 . 16194 1 292 . 2 2 27 27 ASN HB3 H 1 2.604 0.05 . 2 . . . . 303 N HB3 . 16194 1 293 . 2 2 27 27 ASN HD21 H 1 7.643 0.05 . 2 . . . . 303 N HD21 . 16194 1 294 . 2 2 27 27 ASN HD22 H 1 6.918 0.05 . 2 . . . . 303 N HD22 . 16194 1 295 . 2 2 27 27 ASN CA C 13 56.769 0.2 . 1 . . . . 303 N CA . 16194 1 296 . 2 2 27 27 ASN CB C 13 38.449 0.2 . 1 . . . . 303 N CB . 16194 1 297 . 2 2 27 27 ASN N N 15 116.859 0.2 . 1 . . . . 303 N N . 16194 1 298 . 2 2 27 27 ASN ND2 N 15 113.326 0.2 . 1 . . . . 303 N ND2 . 16194 1 299 . 2 2 28 28 ASP H H 1 7.653 0.05 . 1 . . . . 304 D HN . 16194 1 300 . 2 2 28 28 ASP HA H 1 4.363 0.05 . 1 . . . . 304 D HA . 16194 1 301 . 2 2 28 28 ASP HB2 H 1 2.963 0.05 . 2 . . . . 304 D HB2 . 16194 1 302 . 2 2 28 28 ASP HB3 H 1 2.597 0.05 . 2 . . . . 304 D HB3 . 16194 1 303 . 2 2 28 28 ASP CA C 13 57.822 0.2 . 1 . . . . 304 D CA . 16194 1 304 . 2 2 28 28 ASP CB C 13 41.096 0.2 . 1 . . . . 304 D CB . 16194 1 305 . 2 2 28 28 ASP N N 15 118.993 0.2 . 1 . . . . 304 D N . 16194 1 306 . 2 2 29 29 ILE H H 1 7.574 0.05 . 1 . . . . 305 I HN . 16194 1 307 . 2 2 29 29 ILE HA H 1 3.330 0.05 . 1 . . . . 305 I HA . 16194 1 308 . 2 2 29 29 ILE HB H 1 1.937 0.05 . 1 . . . . 305 I HB . 16194 1 309 . 2 2 29 29 ILE HD11 H 1 0.413 0.05 . 1 . . . . 305 I QD1 . 16194 1 310 . 2 2 29 29 ILE HD12 H 1 0.413 0.05 . 1 . . . . 305 I QD1 . 16194 1 311 . 2 2 29 29 ILE HD13 H 1 0.413 0.05 . 1 . . . . 305 I QD1 . 16194 1 312 . 2 2 29 29 ILE HG12 H 1 1.529 0.05 . 2 . . . . 305 I HG12 . 16194 1 313 . 2 2 29 29 ILE HG13 H 1 0.414 0.05 . 2 . . . . 305 I HG13 . 16194 1 314 . 2 2 29 29 ILE HG21 H 1 0.749 0.05 . 1 . . . . 305 I QG2 . 16194 1 315 . 2 2 29 29 ILE HG22 H 1 0.749 0.05 . 1 . . . . 305 I QG2 . 16194 1 316 . 2 2 29 29 ILE HG23 H 1 0.749 0.05 . 1 . . . . 305 I QG2 . 16194 1 317 . 2 2 29 29 ILE CA C 13 66.013 0.2 . 1 . . . . 305 I CA . 16194 1 318 . 2 2 29 29 ILE CB C 13 36.943 0.2 . 1 . . . . 305 I CB . 16194 1 319 . 2 2 29 29 ILE CD1 C 13 13.987 0.2 . 1 . . . . 305 I CD1 . 16194 1 320 . 2 2 29 29 ILE CG1 C 13 29.843 0.2 . 1 . . . . 305 I CG1 . 16194 1 321 . 2 2 29 29 ILE CG2 C 13 18.336 0.2 . 1 . . . . 305 I CG2 . 16194 1 322 . 2 2 29 29 ILE N N 15 122.239 0.2 . 1 . . . . 305 I N . 16194 1 323 . 2 2 30 30 TYR H H 1 8.393 0.05 . 1 . . . . 306 Y HN . 16194 1 324 . 2 2 30 30 TYR HA H 1 3.989 0.05 . 1 . . . . 306 Y HA . 16194 1 325 . 2 2 30 30 TYR HB2 H 1 3.030 0.05 . 2 . . . . 306 Y HB2 . 16194 1 326 . 2 2 30 30 TYR HB3 H 1 2.988 0.05 . 2 . . . . 306 Y HB3 . 16194 1 327 . 2 2 30 30 TYR HD1 H 1 7.191 0.05 . 3 . . . . 306 Y QD . 16194 1 328 . 2 2 30 30 TYR HD2 H 1 7.191 0.05 . 3 . . . . 306 Y QD . 16194 1 329 . 2 2 30 30 TYR HE1 H 1 6.683 0.05 . 3 . . . . 306 Y QE . 16194 1 330 . 2 2 30 30 TYR HE2 H 1 6.683 0.05 . 3 . . . . 306 Y QE . 16194 1 331 . 2 2 30 30 TYR CA C 13 63.599 0.2 . 1 . . . . 306 Y CA . 16194 1 332 . 2 2 30 30 TYR CB C 13 37.533 0.2 . 1 . . . . 306 Y CB . 16194 1 333 . 2 2 30 30 TYR CD1 C 13 132.692 0.2 . 3 . . . . 306 Y CD1 . 16194 1 334 . 2 2 30 30 TYR CE1 C 13 118.249 0.2 . 3 . . . . 306 Y CE1 . 16194 1 335 . 2 2 30 30 TYR N N 15 119.791 0.2 . 1 . . . . 306 Y N . 16194 1 336 . 2 2 31 31 ASN H H 1 8.397 0.05 . 1 . . . . 307 N HN . 16194 1 337 . 2 2 31 31 ASN HA H 1 4.397 0.05 . 1 . . . . 307 N HA . 16194 1 338 . 2 2 31 31 ASN HB2 H 1 2.841 0.05 . 2 . . . . 307 N HB2 . 16194 1 339 . 2 2 31 31 ASN HB3 H 1 2.801 0.05 . 2 . . . . 307 N HB3 . 16194 1 340 . 2 2 31 31 ASN HD21 H 1 7.757 0.05 . 2 . . . . 307 N HD21 . 16194 1 341 . 2 2 31 31 ASN HD22 H 1 6.761 0.05 . 2 . . . . 307 N HD22 . 16194 1 342 . 2 2 31 31 ASN CA C 13 55.865 0.2 . 1 . . . . 307 N CA . 16194 1 343 . 2 2 31 31 ASN CB C 13 37.928 0.2 . 1 . . . . 307 N CB . 16194 1 344 . 2 2 31 31 ASN N N 15 117.662 0.2 . 1 . . . . 307 N N . 16194 1 345 . 2 2 31 31 ASN ND2 N 15 112.531 0.2 . 1 . . . . 307 N ND2 . 16194 1 346 . 2 2 32 32 PHE H H 1 7.903 0.05 . 1 . . . . 308 F HN . 16194 1 347 . 2 2 32 32 PHE HA H 1 4.023 0.05 . 1 . . . . 308 F HA . 16194 1 348 . 2 2 32 32 PHE HB2 H 1 2.910 0.05 . 2 . . . . 308 F QB . 16194 1 349 . 2 2 32 32 PHE HB3 H 1 2.910 0.05 . 2 . . . . 308 F QB . 16194 1 350 . 2 2 32 32 PHE HD1 H 1 5.999 0.05 . 3 . . . . 308 F QD . 16194 1 351 . 2 2 32 32 PHE HD2 H 1 5.999 0.05 . 3 . . . . 308 F QD . 16194 1 352 . 2 2 32 32 PHE HE1 H 1 6.546 0.05 . 3 . . . . 308 F QE . 16194 1 353 . 2 2 32 32 PHE HE2 H 1 6.546 0.05 . 3 . . . . 308 F QE . 16194 1 354 . 2 2 32 32 PHE HZ H 1 7.058 0.05 . 1 . . . . 308 F HZ . 16194 1 355 . 2 2 32 32 PHE CA C 13 61.028 0.2 . 1 . . . . 308 F CA . 16194 1 356 . 2 2 32 32 PHE CB C 13 39.428 0.2 . 1 . . . . 308 F CB . 16194 1 357 . 2 2 32 32 PHE CE1 C 13 131.114 0.2 . 3 . . . . 308 F CE1 . 16194 1 358 . 2 2 32 32 PHE CZ C 13 129.786 0.2 . 1 . . . . 308 F CZ . 16194 1 359 . 2 2 32 32 PHE N N 15 121.663 0.2 . 1 . . . . 308 F N . 16194 1 360 . 2 2 33 33 PHE H H 1 7.300 0.05 . 1 . . . . 309 F HN . 16194 1 361 . 2 2 33 33 PHE HA H 1 4.353 0.05 . 1 . . . . 309 F HA . 16194 1 362 . 2 2 33 33 PHE HB2 H 1 3.465 0.05 . 2 . . . . 309 F HB2 . 16194 1 363 . 2 2 33 33 PHE HB3 H 1 2.546 0.05 . 2 . . . . 309 F HB3 . 16194 1 364 . 2 2 33 33 PHE HD1 H 1 7.303 0.05 . 3 . . . . 309 F QD . 16194 1 365 . 2 2 33 33 PHE HD2 H 1 7.303 0.05 . 3 . . . . 309 F QD . 16194 1 366 . 2 2 33 33 PHE HE1 H 1 7.581 0.05 . 3 . . . . 309 F QE . 16194 1 367 . 2 2 33 33 PHE HE2 H 1 7.581 0.05 . 3 . . . . 309 F QE . 16194 1 368 . 2 2 33 33 PHE HZ H 1 7.101 0.05 . 1 . . . . 309 F HZ . 16194 1 369 . 2 2 33 33 PHE CA C 13 60.038 0.2 . 1 . . . . 309 F CA . 16194 1 370 . 2 2 33 33 PHE CB C 13 40.241 0.2 . 1 . . . . 309 F CB . 16194 1 371 . 2 2 33 33 PHE CD1 C 13 131.712 0.2 . 3 . . . . 309 F CD1 . 16194 1 372 . 2 2 33 33 PHE CE1 C 13 132.072 0.2 . 3 . . . . 309 F CE1 . 16194 1 373 . 2 2 33 33 PHE CZ C 13 128.652 0.2 . 1 . . . . 309 F CZ . 16194 1 374 . 2 2 33 33 PHE N N 15 110.899 0.2 . 1 . . . . 309 F N . 16194 1 375 . 2 2 34 34 SER H H 1 7.374 0.05 . 1 . . . . 310 S HN . 16194 1 376 . 2 2 34 34 SER HA H 1 4.447 0.05 . 1 . . . . 310 S HA . 16194 1 377 . 2 2 34 34 SER HB2 H 1 4.043 0.05 . 2 . . . . 310 S HB2 . 16194 1 378 . 2 2 34 34 SER HB3 H 1 3.839 0.05 . 2 . . . . 310 S HB3 . 16194 1 379 . 2 2 34 34 SER CA C 13 57.576 0.2 . 1 . . . . 310 S CA . 16194 1 380 . 2 2 34 34 SER CB C 13 63.245 0.2 . 1 . . . . 310 S CB . 16194 1 381 . 2 2 34 34 SER N N 15 117.142 0.2 . 1 . . . . 310 S N . 16194 1 382 . 2 2 35 35 PRO HA H 1 4.786 0.05 . 1 . . . . 311 P HA . 16194 1 383 . 2 2 35 35 PRO HB2 H 1 2.254 0.05 . 2 . . . . 311 P HB2 . 16194 1 384 . 2 2 35 35 PRO HB3 H 1 2.022 0.05 . 2 . . . . 311 P HB3 . 16194 1 385 . 2 2 35 35 PRO HD2 H 1 3.413 0.05 . 2 . . . . 311 P HD2 . 16194 1 386 . 2 2 35 35 PRO HD3 H 1 3.388 0.05 . 2 . . . . 311 P HD3 . 16194 1 387 . 2 2 35 35 PRO HG2 H 1 1.871 0.05 . 2 . . . . 311 P HG2 . 16194 1 388 . 2 2 35 35 PRO HG3 H 1 1.550 0.05 . 2 . . . . 311 P HG3 . 16194 1 389 . 2 2 35 35 PRO CB C 13 33.624 0.2 . 1 . . . . 311 P CB . 16194 1 390 . 2 2 35 35 PRO CD C 13 50.021 0.2 . 1 . . . . 311 P CD . 16194 1 391 . 2 2 35 35 PRO CG C 13 24.385 0.2 . 1 . . . . 311 P CG . 16194 1 392 . 2 2 36 36 LEU H H 1 8.909 0.05 . 1 . . . . 312 L HN . 16194 1 393 . 2 2 36 36 LEU HA H 1 4.323 0.05 . 1 . . . . 312 L HA . 16194 1 394 . 2 2 36 36 LEU HB2 H 1 1.874 0.05 . 2 . . . . 312 L HB2 . 16194 1 395 . 2 2 36 36 LEU HB3 H 1 1.339 0.05 . 2 . . . . 312 L HB3 . 16194 1 396 . 2 2 36 36 LEU HD11 H 1 0.668 0.05 . 1 . . . . 312 L QD1 . 16194 1 397 . 2 2 36 36 LEU HD12 H 1 0.668 0.05 . 1 . . . . 312 L QD1 . 16194 1 398 . 2 2 36 36 LEU HD13 H 1 0.668 0.05 . 1 . . . . 312 L QD1 . 16194 1 399 . 2 2 36 36 LEU HD21 H 1 0.607 0.05 . 1 . . . . 312 L QD2 . 16194 1 400 . 2 2 36 36 LEU HD22 H 1 0.607 0.05 . 1 . . . . 312 L QD2 . 16194 1 401 . 2 2 36 36 LEU HD23 H 1 0.607 0.05 . 1 . . . . 312 L QD2 . 16194 1 402 . 2 2 36 36 LEU HG H 1 1.600 0.05 . 1 . . . . 312 L HG . 16194 1 403 . 2 2 36 36 LEU CA C 13 55.570 0.2 . 1 . . . . 312 L CA . 16194 1 404 . 2 2 36 36 LEU CB C 13 42.628 0.2 . 1 . . . . 312 L CB . 16194 1 405 . 2 2 36 36 LEU CD1 C 13 22.516 0.2 . 2 . . . . 312 L CD1 . 16194 1 406 . 2 2 36 36 LEU CD2 C 13 25.859 0.2 . 2 . . . . 312 L CD2 . 16194 1 407 . 2 2 36 36 LEU CG C 13 27.568 0.2 . 1 . . . . 312 L CG . 16194 1 408 . 2 2 36 36 LEU N N 15 127.989 0.2 . 1 . . . . 312 L N . 16194 1 409 . 2 2 37 37 ASN H H 1 9.380 0.05 . 1 . . . . 313 N HN . 16194 1 410 . 2 2 37 37 ASN HA H 1 5.240 0.05 . 1 . . . . 313 N HA . 16194 1 411 . 2 2 37 37 ASN HB2 H 1 2.740 0.05 . 2 . . . . 313 N HB2 . 16194 1 412 . 2 2 37 37 ASN HB3 H 1 2.610 0.05 . 2 . . . . 313 N HB3 . 16194 1 413 . 2 2 37 37 ASN HD21 H 1 7.440 0.05 . 2 . . . . 313 N HD21 . 16194 1 414 . 2 2 37 37 ASN HD22 H 1 6.615 0.05 . 2 . . . . 313 N HD22 . 16194 1 415 . 2 2 37 37 ASN CA C 13 50.620 0.2 . 1 . . . . 313 N CA . 16194 1 416 . 2 2 37 37 ASN CB C 13 40.466 0.2 . 1 . . . . 313 N CB . 16194 1 417 . 2 2 37 37 ASN N N 15 119.653 0.2 . 1 . . . . 313 N N . 16194 1 418 . 2 2 37 37 ASN ND2 N 15 112.781 0.2 . 1 . . . . 313 N ND2 . 16194 1 419 . 2 2 38 38 PRO HA H 1 3.648 0.05 . 1 . . . . 314 P HA . 16194 1 420 . 2 2 38 38 PRO HB2 H 1 1.151 0.05 . 2 . . . . 314 P HB2 . 16194 1 421 . 2 2 38 38 PRO HB3 H 1 1.092 0.05 . 2 . . . . 314 P HB3 . 16194 1 422 . 2 2 38 38 PRO HD2 H 1 3.696 0.05 . 2 . . . . 314 P HD2 . 16194 1 423 . 2 2 38 38 PRO HD3 H 1 3.590 0.05 . 2 . . . . 314 P HD3 . 16194 1 424 . 2 2 38 38 PRO HG2 H 1 1.157 0.05 . 2 . . . . 314 P HG2 . 16194 1 425 . 2 2 38 38 PRO HG3 H 1 1.006 0.05 . 2 . . . . 314 P HG3 . 16194 1 426 . 2 2 38 38 PRO CA C 13 62.566 0.2 . 1 . . . . 314 P CA . 16194 1 427 . 2 2 38 38 PRO CB C 13 31.684 0.2 . 1 . . . . 314 P CB . 16194 1 428 . 2 2 38 38 PRO CD C 13 50.364 0.2 . 1 . . . . 314 P CD . 16194 1 429 . 2 2 38 38 PRO CG C 13 26.634 0.2 . 1 . . . . 314 P CG . 16194 1 430 . 2 2 39 39 VAL H H 1 8.605 0.05 . 1 . . . . 315 V HN . 16194 1 431 . 2 2 39 39 VAL HA H 1 4.018 0.05 . 1 . . . . 315 V HA . 16194 1 432 . 2 2 39 39 VAL HB H 1 1.794 0.05 . 1 . . . . 315 V HB . 16194 1 433 . 2 2 39 39 VAL HG11 H 1 0.811 0.05 . 1 . . . . 315 V QG1 . 16194 1 434 . 2 2 39 39 VAL HG12 H 1 0.811 0.05 . 1 . . . . 315 V QG1 . 16194 1 435 . 2 2 39 39 VAL HG13 H 1 0.811 0.05 . 1 . . . . 315 V QG1 . 16194 1 436 . 2 2 39 39 VAL HG21 H 1 0.659 0.05 . 1 . . . . 315 V QG2 . 16194 1 437 . 2 2 39 39 VAL HG22 H 1 0.659 0.05 . 1 . . . . 315 V QG2 . 16194 1 438 . 2 2 39 39 VAL HG23 H 1 0.659 0.05 . 1 . . . . 315 V QG2 . 16194 1 439 . 2 2 39 39 VAL CA C 13 62.561 0.2 . 1 . . . . 315 V CA . 16194 1 440 . 2 2 39 39 VAL CB C 13 32.536 0.2 . 1 . . . . 315 V CB . 16194 1 441 . 2 2 39 39 VAL CG1 C 13 21.499 0.2 . 2 . . . . 315 V CG1 . 16194 1 442 . 2 2 39 39 VAL CG2 C 13 19.901 0.2 . 2 . . . . 315 V CG2 . 16194 1 443 . 2 2 39 39 VAL N N 15 117.480 0.2 . 1 . . . . 315 V N . 16194 1 444 . 2 2 40 40 ARG H H 1 7.008 0.05 . 1 . . . . 316 R HN . 16194 1 445 . 2 2 40 40 ARG HA H 1 4.364 0.05 . 1 . . . . 316 R HA . 16194 1 446 . 2 2 40 40 ARG HB2 H 1 1.555 0.05 . 2 . . . . 316 R QB . 16194 1 447 . 2 2 40 40 ARG HB3 H 1 1.555 0.05 . 2 . . . . 316 R QB . 16194 1 448 . 2 2 40 40 ARG HD2 H 1 3.052 0.05 . 2 . . . . 316 R QD . 16194 1 449 . 2 2 40 40 ARG HD3 H 1 3.052 0.05 . 2 . . . . 316 R QD . 16194 1 450 . 2 2 40 40 ARG HE H 1 7.325 0.05 . 1 . . . . 316 R HE . 16194 1 451 . 2 2 40 40 ARG HG2 H 1 1.357 0.05 . 2 . . . . 316 R HG2 . 16194 1 452 . 2 2 40 40 ARG HG3 H 1 1.223 0.05 . 2 . . . . 316 R HG3 . 16194 1 453 . 2 2 40 40 ARG CA C 13 55.964 0.2 . 1 . . . . 316 R CA . 16194 1 454 . 2 2 40 40 ARG CB C 13 34.037 0.2 . 1 . . . . 316 R CB . 16194 1 455 . 2 2 40 40 ARG CD C 13 43.099 0.2 . 1 . . . . 316 R CD . 16194 1 456 . 2 2 40 40 ARG CG C 13 27.270 0.2 . 1 . . . . 316 R CG . 16194 1 457 . 2 2 40 40 ARG N N 15 116.854 0.2 . 1 . . . . 316 R N . 16194 1 458 . 2 2 40 40 ARG NE N 15 84.063 0.2 . 1 . . . . 316 R NE . 16194 1 459 . 2 2 41 41 VAL H H 1 8.453 0.05 . 1 . . . . 317 V HN . 16194 1 460 . 2 2 41 41 VAL HA H 1 4.328 0.05 . 1 . . . . 317 V HA . 16194 1 461 . 2 2 41 41 VAL HB H 1 1.752 0.05 . 1 . . . . 317 V HB . 16194 1 462 . 2 2 41 41 VAL HG11 H 1 0.628 0.05 . 1 . . . . 317 V QG1 . 16194 1 463 . 2 2 41 41 VAL HG12 H 1 0.628 0.05 . 1 . . . . 317 V QG1 . 16194 1 464 . 2 2 41 41 VAL HG13 H 1 0.628 0.05 . 1 . . . . 317 V QG1 . 16194 1 465 . 2 2 41 41 VAL HG21 H 1 0.433 0.05 . 1 . . . . 317 V QG2 . 16194 1 466 . 2 2 41 41 VAL HG22 H 1 0.433 0.05 . 1 . . . . 317 V QG2 . 16194 1 467 . 2 2 41 41 VAL HG23 H 1 0.433 0.05 . 1 . . . . 317 V QG2 . 16194 1 468 . 2 2 41 41 VAL CA C 13 61.250 0.2 . 1 . . . . 317 V CA . 16194 1 469 . 2 2 41 41 VAL CB C 13 35.179 0.2 . 1 . . . . 317 V CB . 16194 1 470 . 2 2 41 41 VAL CG1 C 13 22.159 0.2 . 2 . . . . 317 V CG1 . 16194 1 471 . 2 2 41 41 VAL CG2 C 13 21.154 0.2 . 2 . . . . 317 V CG2 . 16194 1 472 . 2 2 41 41 VAL N N 15 122.542 0.2 . 1 . . . . 317 V N . 16194 1 473 . 2 2 42 42 HIS H H 1 8.926 0.05 . 1 . . . . 318 H HN . 16194 1 474 . 2 2 42 42 HIS HA H 1 4.883 0.05 . 1 . . . . 318 H HA . 16194 1 475 . 2 2 42 42 HIS HB2 H 1 2.939 0.05 . 2 . . . . 318 H QB . 16194 1 476 . 2 2 42 42 HIS HB3 H 1 2.939 0.05 . 2 . . . . 318 H QB . 16194 1 477 . 2 2 42 42 HIS HD2 H 1 6.888 0.05 . 1 . . . . 318 H HD2 . 16194 1 478 . 2 2 42 42 HIS CA C 13 54.523 0.2 . 1 . . . . 318 H CA . 16194 1 479 . 2 2 42 42 HIS CB C 13 31.521 0.2 . 1 . . . . 318 H CB . 16194 1 480 . 2 2 42 42 HIS CD2 C 13 119.874 0.2 . 1 . . . . 318 H CD2 . 16194 1 481 . 2 2 42 42 HIS N N 15 125.152 0.2 . 1 . . . . 318 H N . 16194 1 482 . 2 2 43 43 ILE H H 1 8.726 0.05 . 1 . . . . 319 I HN . 16194 1 483 . 2 2 43 43 ILE HA H 1 3.651 0.05 . 1 . . . . 319 I HA . 16194 1 484 . 2 2 43 43 ILE HB H 1 1.495 0.05 . 1 . . . . 319 I HB . 16194 1 485 . 2 2 43 43 ILE HD11 H 1 0.514 0.05 . 1 . . . . 319 I QD1 . 16194 1 486 . 2 2 43 43 ILE HD12 H 1 0.514 0.05 . 1 . . . . 319 I QD1 . 16194 1 487 . 2 2 43 43 ILE HD13 H 1 0.514 0.05 . 1 . . . . 319 I QD1 . 16194 1 488 . 2 2 43 43 ILE HG12 H 1 1.307 0.05 . 2 . . . . 319 I HG12 . 16194 1 489 . 2 2 43 43 ILE HG13 H 1 0.392 0.05 . 2 . . . . 319 I HG13 . 16194 1 490 . 2 2 43 43 ILE HG21 H 1 0.708 0.05 . 1 . . . . 319 I QG2 . 16194 1 491 . 2 2 43 43 ILE HG22 H 1 0.708 0.05 . 1 . . . . 319 I QG2 . 16194 1 492 . 2 2 43 43 ILE HG23 H 1 0.708 0.05 . 1 . . . . 319 I QG2 . 16194 1 493 . 2 2 43 43 ILE CA C 13 62.294 0.2 . 1 . . . . 319 I CA . 16194 1 494 . 2 2 43 43 ILE CB C 13 38.373 0.2 . 1 . . . . 319 I CB . 16194 1 495 . 2 2 43 43 ILE CD1 C 13 12.660 0.2 . 1 . . . . 319 I CD1 . 16194 1 496 . 2 2 43 43 ILE CG1 C 13 28.965 0.2 . 1 . . . . 319 I CG1 . 16194 1 497 . 2 2 43 43 ILE CG2 C 13 17.455 0.2 . 1 . . . . 319 I CG2 . 16194 1 498 . 2 2 43 43 ILE N N 15 129.115 0.2 . 1 . . . . 319 I N . 16194 1 499 . 2 2 44 44 GLU H H 1 7.594 0.05 . 1 . . . . 320 E HN . 16194 1 500 . 2 2 44 44 GLU HA H 1 3.926 0.05 . 1 . . . . 320 E HA . 16194 1 501 . 2 2 44 44 GLU HB2 H 1 2.005 0.05 . 2 . . . . 320 E HB2 . 16194 1 502 . 2 2 44 44 GLU HB3 H 1 1.722 0.05 . 2 . . . . 320 E HB3 . 16194 1 503 . 2 2 44 44 GLU HG2 H 1 2.038 0.05 . 2 . . . . 320 E HG2 . 16194 1 504 . 2 2 44 44 GLU HG3 H 1 1.950 0.05 . 2 . . . . 320 E HG3 . 16194 1 505 . 2 2 44 44 GLU CA C 13 57.819 0.2 . 1 . . . . 320 E CA . 16194 1 506 . 2 2 44 44 GLU CB C 13 30.405 0.2 . 1 . . . . 320 E CB . 16194 1 507 . 2 2 44 44 GLU CG C 13 36.407 0.2 . 1 . . . . 320 E CG . 16194 1 508 . 2 2 44 44 GLU N N 15 128.227 0.2 . 1 . . . . 320 E N . 16194 1 509 . 2 2 45 45 ILE H H 1 8.351 0.05 . 1 . . . . 321 I HN . 16194 1 510 . 2 2 45 45 ILE HA H 1 4.376 0.05 . 1 . . . . 321 I HA . 16194 1 511 . 2 2 45 45 ILE HB H 1 1.652 0.05 . 1 . . . . 321 I HB . 16194 1 512 . 2 2 45 45 ILE HD11 H 1 0.641 0.05 . 1 . . . . 321 I QD1 . 16194 1 513 . 2 2 45 45 ILE HD12 H 1 0.641 0.05 . 1 . . . . 321 I QD1 . 16194 1 514 . 2 2 45 45 ILE HD13 H 1 0.641 0.05 . 1 . . . . 321 I QD1 . 16194 1 515 . 2 2 45 45 ILE HG12 H 1 1.348 0.05 . 2 . . . . 321 I HG12 . 16194 1 516 . 2 2 45 45 ILE HG13 H 1 1.121 0.05 . 2 . . . . 321 I HG13 . 16194 1 517 . 2 2 45 45 ILE HG21 H 1 0.745 0.05 . 1 . . . . 321 I QG2 . 16194 1 518 . 2 2 45 45 ILE HG22 H 1 0.745 0.05 . 1 . . . . 321 I QG2 . 16194 1 519 . 2 2 45 45 ILE HG23 H 1 0.745 0.05 . 1 . . . . 321 I QG2 . 16194 1 520 . 2 2 45 45 ILE CA C 13 59.389 0.2 . 1 . . . . 321 I CA . 16194 1 521 . 2 2 45 45 ILE CB C 13 39.052 0.2 . 1 . . . . 321 I CB . 16194 1 522 . 2 2 45 45 ILE CD1 C 13 11.856 0.2 . 1 . . . . 321 I CD1 . 16194 1 523 . 2 2 45 45 ILE CG1 C 13 26.749 0.2 . 1 . . . . 321 I CG1 . 16194 1 524 . 2 2 45 45 ILE CG2 C 13 17.121 0.2 . 1 . . . . 321 I CG2 . 16194 1 525 . 2 2 45 45 ILE N N 15 126.166 0.2 . 1 . . . . 321 I N . 16194 1 526 . 2 2 46 46 GLY H H 1 8.730 0.05 . 1 . . . . 322 G HN . 16194 1 527 . 2 2 46 46 GLY HA2 H 1 4.316 0.05 . 1 . . . . 322 G HA2 . 16194 1 528 . 2 2 46 46 GLY HA3 H 1 3.950 0.05 . 2 . . . . 322 G HA3 . 16194 1 529 . 2 2 46 46 GLY CA C 13 44.570 0.2 . 1 . . . . 322 G CA . 16194 1 530 . 2 2 46 46 GLY N N 15 113.632 0.2 . 1 . . . . 322 G N . 16194 1 531 . 2 2 47 47 PRO HA H 1 4.255 0.05 . 1 . . . . 323 P HA . 16194 1 532 . 2 2 47 47 PRO HB2 H 1 2.218 0.05 . 2 . . . . 323 P HB2 . 16194 1 533 . 2 2 47 47 PRO HB3 H 1 1.869 0.05 . 2 . . . . 323 P HB3 . 16194 1 534 . 2 2 47 47 PRO HD2 H 1 3.586 0.05 . 2 . . . . 323 P HD2 . 16194 1 535 . 2 2 47 47 PRO HD3 H 1 3.544 0.05 . 2 . . . . 323 P HD3 . 16194 1 536 . 2 2 47 47 PRO HG2 H 1 1.898 0.05 . 2 . . . . 323 P QG . 16194 1 537 . 2 2 47 47 PRO HG3 H 1 1.898 0.05 . 2 . . . . 323 P QG . 16194 1 538 . 2 2 47 47 PRO CA C 13 64.718 0.2 . 1 . . . . 323 P CA . 16194 1 539 . 2 2 47 47 PRO CB C 13 31.791 0.2 . 1 . . . . 323 P CB . 16194 1 540 . 2 2 47 47 PRO CD C 13 49.739 0.2 . 1 . . . . 323 P CD . 16194 1 541 . 2 2 47 47 PRO CG C 13 27.292 0.2 . 1 . . . . 323 P CG . 16194 1 542 . 2 2 48 48 ASP H H 1 7.880 0.05 . 1 . . . . 324 D HN . 16194 1 543 . 2 2 48 48 ASP HA H 1 4.382 0.05 . 1 . . . . 324 D HA . 16194 1 544 . 2 2 48 48 ASP HB2 H 1 2.820 0.05 . 2 . . . . 324 D HB2 . 16194 1 545 . 2 2 48 48 ASP HB3 H 1 2.471 0.05 . 2 . . . . 324 D HB3 . 16194 1 546 . 2 2 48 48 ASP CA C 13 52.549 0.2 . 1 . . . . 324 D CA . 16194 1 547 . 2 2 48 48 ASP CB C 13 39.899 0.2 . 1 . . . . 324 D CB . 16194 1 548 . 2 2 48 48 ASP N N 15 115.214 0.2 . 1 . . . . 324 D N . 16194 1 549 . 2 2 49 49 GLY H H 1 8.128 0.05 . 1 . . . . 325 G HN . 16194 1 550 . 2 2 49 49 GLY HA2 H 1 4.045 0.05 . 1 . . . . 325 G HA2 . 16194 1 551 . 2 2 49 49 GLY HA3 H 1 3.399 0.05 . 2 . . . . 325 G HA3 . 16194 1 552 . 2 2 49 49 GLY CA C 13 45.272 0.2 . 1 . . . . 325 G CA . 16194 1 553 . 2 2 49 49 GLY N N 15 107.828 0.2 . 1 . . . . 325 G N . 16194 1 554 . 2 2 50 50 ARG H H 1 7.445 0.05 . 1 . . . . 326 R HN . 16194 1 555 . 2 2 50 50 ARG HA H 1 4.390 0.05 . 1 . . . . 326 R HA . 16194 1 556 . 2 2 50 50 ARG HB2 H 1 1.672 0.05 . 2 . . . . 326 R QB . 16194 1 557 . 2 2 50 50 ARG HB3 H 1 1.672 0.05 . 2 . . . . 326 R QB . 16194 1 558 . 2 2 50 50 ARG HD2 H 1 2.780 0.05 . 2 . . . . 326 R HD2 . 16194 1 559 . 2 2 50 50 ARG HD3 H 1 2.613 0.05 . 2 . . . . 326 R HD3 . 16194 1 560 . 2 2 50 50 ARG HE H 1 7.124 0.05 . 1 . . . . 326 R HE . 16194 1 561 . 2 2 50 50 ARG HG2 H 1 1.256 0.05 . 2 . . . . 326 R QG . 16194 1 562 . 2 2 50 50 ARG HG3 H 1 1.256 0.05 . 2 . . . . 326 R QG . 16194 1 563 . 2 2 50 50 ARG CB C 13 31.540 0.2 . 1 . . . . 326 R CB . 16194 1 564 . 2 2 50 50 ARG CD C 13 43.285 0.2 . 1 . . . . 326 R CD . 16194 1 565 . 2 2 50 50 ARG CG C 13 26.897 0.2 . 1 . . . . 326 R CG . 16194 1 566 . 2 2 50 50 ARG N N 15 119.420 0.2 . 1 . . . . 326 R N . 16194 1 567 . 2 2 50 50 ARG NE N 15 84.694 0.2 . 1 . . . . 326 R NE . 16194 1 568 . 2 2 51 51 VAL H H 1 8.244 0.05 . 1 . . . . 327 V HN . 16194 1 569 . 2 2 51 51 VAL HA H 1 4.388 0.05 . 1 . . . . 327 V HA . 16194 1 570 . 2 2 51 51 VAL HB H 1 2.343 0.05 . 1 . . . . 327 V HB . 16194 1 571 . 2 2 51 51 VAL HG11 H 1 0.934 0.05 . 1 . . . . 327 V QG1 . 16194 1 572 . 2 2 51 51 VAL HG12 H 1 0.934 0.05 . 1 . . . . 327 V QG1 . 16194 1 573 . 2 2 51 51 VAL HG13 H 1 0.934 0.05 . 1 . . . . 327 V QG1 . 16194 1 574 . 2 2 51 51 VAL HG21 H 1 1.008 0.05 . 1 . . . . 327 V QG2 . 16194 1 575 . 2 2 51 51 VAL HG22 H 1 1.008 0.05 . 1 . . . . 327 V QG2 . 16194 1 576 . 2 2 51 51 VAL HG23 H 1 1.008 0.05 . 1 . . . . 327 V QG2 . 16194 1 577 . 2 2 51 51 VAL CG1 C 13 21.460 0.2 . 2 . . . . 327 V CG1 . 16194 1 578 . 2 2 51 51 VAL CG2 C 13 20.100 0.2 . 2 . . . . 327 V CG2 . 16194 1 579 . 2 2 51 51 VAL N N 15 121.472 0.2 . 1 . . . . 327 V N . 16194 1 580 . 2 2 52 52 THR H H 1 7.710 0.05 . 1 . . . . 328 T HN . 16194 1 581 . 2 2 52 52 THR HA H 1 4.368 0.05 . 1 . . . . 328 T HA . 16194 1 582 . 2 2 52 52 THR HB H 1 4.405 0.05 . 1 . . . . 328 T HB . 16194 1 583 . 2 2 52 52 THR HG21 H 1 1.040 0.05 . 1 . . . . 328 T QG2 . 16194 1 584 . 2 2 52 52 THR HG22 H 1 1.040 0.05 . 1 . . . . 328 T QG2 . 16194 1 585 . 2 2 52 52 THR HG23 H 1 1.040 0.05 . 1 . . . . 328 T QG2 . 16194 1 586 . 2 2 52 52 THR CA C 13 61.453 0.2 . 1 . . . . 328 T CA . 16194 1 587 . 2 2 52 52 THR CB C 13 70.300 0.2 . 1 . . . . 328 T CB . 16194 1 588 . 2 2 52 52 THR CG2 C 13 21.337 0.2 . 1 . . . . 328 T CG2 . 16194 1 589 . 2 2 52 52 THR N N 15 112.035 0.2 . 1 . . . . 328 T N . 16194 1 590 . 2 2 53 53 GLY H H 1 8.915 0.05 . 1 . . . . 329 G HN . 16194 1 591 . 2 2 53 53 GLY HA2 H 1 3.800 0.05 . 2 . . . . 329 G QA . 16194 1 592 . 2 2 53 53 GLY HA3 H 1 3.800 0.05 . 2 . . . . 329 G QA . 16194 1 593 . 2 2 53 53 GLY CA C 13 45.242 0.2 . 1 . . . . 329 G CA . 16194 1 594 . 2 2 53 53 GLY N N 15 110.463 0.2 . 1 . . . . 329 G N . 16194 1 595 . 2 2 54 54 GLU H H 1 7.788 0.05 . 1 . . . . 330 E HN . 16194 1 596 . 2 2 54 54 GLU HA H 1 5.213 0.05 . 1 . . . . 330 E HA . 16194 1 597 . 2 2 54 54 GLU HB2 H 1 1.996 0.05 . 2 . . . . 330 E HB2 . 16194 1 598 . 2 2 54 54 GLU HB3 H 1 1.783 0.05 . 2 . . . . 330 E HB3 . 16194 1 599 . 2 2 54 54 GLU CA C 13 54.397 0.2 . 1 . . . . 330 E CA . 16194 1 600 . 2 2 54 54 GLU CB C 13 32.447 0.2 . 1 . . . . 330 E CB . 16194 1 601 . 2 2 54 54 GLU N N 15 118.991 0.2 . 1 . . . . 330 E N . 16194 1 602 . 2 2 55 55 ALA H H 1 8.051 0.05 . 1 . . . . 331 A HN . 16194 1 603 . 2 2 55 55 ALA HA H 1 4.854 0.05 . 1 . . . . 331 A HA . 16194 1 604 . 2 2 55 55 ALA HB1 H 1 1.057 0.05 . 1 . . . . 331 A QB . 16194 1 605 . 2 2 55 55 ALA HB2 H 1 1.057 0.05 . 1 . . . . 331 A QB . 16194 1 606 . 2 2 55 55 ALA HB3 H 1 1.057 0.05 . 1 . . . . 331 A QB . 16194 1 607 . 2 2 55 55 ALA CA C 13 51.419 0.2 . 1 . . . . 331 A CA . 16194 1 608 . 2 2 55 55 ALA CB C 13 23.936 0.2 . 1 . . . . 331 A CB . 16194 1 609 . 2 2 55 55 ALA N N 15 120.161 0.2 . 1 . . . . 331 A N . 16194 1 610 . 2 2 56 56 ASP H H 1 8.787 0.05 . 1 . . . . 332 D HN . 16194 1 611 . 2 2 56 56 ASP HA H 1 5.551 0.05 . 1 . . . . 332 D HA . 16194 1 612 . 2 2 56 56 ASP HB2 H 1 2.469 0.05 . 2 . . . . 332 D HB2 . 16194 1 613 . 2 2 56 56 ASP HB3 H 1 2.355 0.05 . 2 . . . . 332 D HB3 . 16194 1 614 . 2 2 56 56 ASP CA C 13 54.407 0.2 . 1 . . . . 332 D CA . 16194 1 615 . 2 2 56 56 ASP CB C 13 46.081 0.2 . 1 . . . . 332 D CB . 16194 1 616 . 2 2 56 56 ASP N N 15 118.092 0.2 . 1 . . . . 332 D N . 16194 1 617 . 2 2 57 57 VAL H H 1 8.861 0.05 . 1 . . . . 333 V HN . 16194 1 618 . 2 2 57 57 VAL HA H 1 4.441 0.05 . 1 . . . . 333 V HA . 16194 1 619 . 2 2 57 57 VAL HB H 1 1.655 0.05 . 1 . . . . 333 V HB . 16194 1 620 . 2 2 57 57 VAL HG11 H 1 0.696 0.05 . 1 . . . . 333 V QG1 . 16194 1 621 . 2 2 57 57 VAL HG12 H 1 0.696 0.05 . 1 . . . . 333 V QG1 . 16194 1 622 . 2 2 57 57 VAL HG13 H 1 0.696 0.05 . 1 . . . . 333 V QG1 . 16194 1 623 . 2 2 57 57 VAL HG21 H 1 0.250 0.05 . 1 . . . . 333 V QG2 . 16194 1 624 . 2 2 57 57 VAL HG22 H 1 0.250 0.05 . 1 . . . . 333 V QG2 . 16194 1 625 . 2 2 57 57 VAL HG23 H 1 0.250 0.05 . 1 . . . . 333 V QG2 . 16194 1 626 . 2 2 57 57 VAL CA C 13 60.434 0.2 . 1 . . . . 333 V CA . 16194 1 627 . 2 2 57 57 VAL CB C 13 34.282 0.2 . 1 . . . . 333 V CB . 16194 1 628 . 2 2 57 57 VAL CG1 C 13 21.955 0.2 . 2 . . . . 333 V CG1 . 16194 1 629 . 2 2 57 57 VAL CG2 C 13 22.591 0.2 . 2 . . . . 333 V CG2 . 16194 1 630 . 2 2 57 57 VAL N N 15 120.584 0.2 . 1 . . . . 333 V N . 16194 1 631 . 2 2 58 58 GLU H H 1 8.325 0.05 . 1 . . . . 334 E HN . 16194 1 632 . 2 2 58 58 GLU HA H 1 4.834 0.05 . 1 . . . . 334 E HA . 16194 1 633 . 2 2 58 58 GLU HB2 H 1 1.881 0.05 . 2 . . . . 334 E HB2 . 16194 1 634 . 2 2 58 58 GLU HB3 H 1 1.571 0.05 . 2 . . . . 334 E HB3 . 16194 1 635 . 2 2 58 58 GLU HG2 H 1 2.114 0.05 . 2 . . . . 334 E QG . 16194 1 636 . 2 2 58 58 GLU HG3 H 1 2.114 0.05 . 2 . . . . 334 E QG . 16194 1 637 . 2 2 58 58 GLU CA C 13 54.406 0.2 . 1 . . . . 334 E CA . 16194 1 638 . 2 2 58 58 GLU CB C 13 33.596 0.2 . 1 . . . . 334 E CB . 16194 1 639 . 2 2 58 58 GLU CG C 13 36.717 0.2 . 1 . . . . 334 E CG . 16194 1 640 . 2 2 58 58 GLU N N 15 124.604 0.2 . 1 . . . . 334 E N . 16194 1 641 . 2 2 59 59 PHE H H 1 9.008 0.05 . 1 . . . . 335 F HN . 16194 1 642 . 2 2 59 59 PHE HA H 1 4.667 0.05 . 1 . . . . 335 F HA . 16194 1 643 . 2 2 59 59 PHE HB2 H 1 3.146 0.05 . 2 . . . . 335 F HB2 . 16194 1 644 . 2 2 59 59 PHE HB3 H 1 2.590 0.05 . 2 . . . . 335 F HB3 . 16194 1 645 . 2 2 59 59 PHE HD1 H 1 6.918 0.05 . 3 . . . . 335 F QD . 16194 1 646 . 2 2 59 59 PHE HD2 H 1 6.918 0.05 . 3 . . . . 335 F QD . 16194 1 647 . 2 2 59 59 PHE HE1 H 1 6.419 0.05 . 3 . . . . 335 F QE . 16194 1 648 . 2 2 59 59 PHE HE2 H 1 6.419 0.05 . 3 . . . . 335 F QE . 16194 1 649 . 2 2 59 59 PHE HZ H 1 5.531 0.05 . 1 . . . . 335 F HZ . 16194 1 650 . 2 2 59 59 PHE CB C 13 43.170 0.2 . 1 . . . . 335 F CB . 16194 1 651 . 2 2 59 59 PHE CD1 C 13 131.343 0.2 . 3 . . . . 335 F CD1 . 16194 1 652 . 2 2 59 59 PHE CE1 C 13 130.475 0.2 . 3 . . . . 335 F CE1 . 16194 1 653 . 2 2 59 59 PHE CZ C 13 128.703 0.2 . 1 . . . . 335 F CZ . 16194 1 654 . 2 2 59 59 PHE N N 15 121.314 0.2 . 1 . . . . 335 F N . 16194 1 655 . 2 2 60 60 ALA H H 1 9.660 0.05 . 1 . . . . 336 A HN . 16194 1 656 . 2 2 60 60 ALA HA H 1 4.166 0.05 . 1 . . . . 336 A HA . 16194 1 657 . 2 2 60 60 ALA HB1 H 1 1.576 0.05 . 1 . . . . 336 A QB . 16194 1 658 . 2 2 60 60 ALA HB2 H 1 1.576 0.05 . 1 . . . . 336 A QB . 16194 1 659 . 2 2 60 60 ALA HB3 H 1 1.576 0.05 . 1 . . . . 336 A QB . 16194 1 660 . 2 2 60 60 ALA CA C 13 55.471 0.2 . 1 . . . . 336 A CA . 16194 1 661 . 2 2 60 60 ALA CB C 13 19.283 0.2 . 1 . . . . 336 A CB . 16194 1 662 . 2 2 60 60 ALA N N 15 123.299 0.2 . 1 . . . . 336 A N . 16194 1 663 . 2 2 61 61 THR H H 1 7.177 0.05 . 1 . . . . 337 T HN . 16194 1 664 . 2 2 61 61 THR HA H 1 4.364 0.05 . 1 . . . . 337 T HA . 16194 1 665 . 2 2 61 61 THR HB H 1 4.323 0.05 . 1 . . . . 337 T HB . 16194 1 666 . 2 2 61 61 THR HG21 H 1 1.085 0.05 . 1 . . . . 337 T QG2 . 16194 1 667 . 2 2 61 61 THR HG22 H 1 1.085 0.05 . 1 . . . . 337 T QG2 . 16194 1 668 . 2 2 61 61 THR HG23 H 1 1.085 0.05 . 1 . . . . 337 T QG2 . 16194 1 669 . 2 2 61 61 THR CA C 13 59.472 0.2 . 1 . . . . 337 T CA . 16194 1 670 . 2 2 61 61 THR CB C 13 73.609 0.2 . 1 . . . . 337 T CB . 16194 1 671 . 2 2 61 61 THR CG2 C 13 21.558 0.2 . 1 . . . . 337 T CG2 . 16194 1 672 . 2 2 61 61 THR N N 15 102.251 0.2 . 1 . . . . 337 T N . 16194 1 673 . 2 2 62 62 HIS H H 1 8.326 0.05 . 1 . . . . 338 H HN . 16194 1 674 . 2 2 62 62 HIS HA H 1 3.832 0.05 . 1 . . . . 338 H HA . 16194 1 675 . 2 2 62 62 HIS HB2 H 1 2.598 0.05 . 2 . . . . 338 H QB . 16194 1 676 . 2 2 62 62 HIS HB3 H 1 2.598 0.05 . 2 . . . . 338 H QB . 16194 1 677 . 2 2 62 62 HIS HD2 H 1 6.750 0.05 . 1 . . . . 338 H HD2 . 16194 1 678 . 2 2 62 62 HIS HE1 H 1 7.446 0.05 . 1 . . . . 338 H HE1 . 16194 1 679 . 2 2 62 62 HIS CA C 13 58.884 0.2 . 1 . . . . 338 H CA . 16194 1 680 . 2 2 62 62 HIS CB C 13 30.789 0.2 . 1 . . . . 338 H CB . 16194 1 681 . 2 2 62 62 HIS CD2 C 13 118.060 0.2 . 1 . . . . 338 H CD2 . 16194 1 682 . 2 2 62 62 HIS CE1 C 13 137.628 0.2 . 1 . . . . 338 H CE1 . 16194 1 683 . 2 2 62 62 HIS N N 15 120.147 0.2 . 1 . . . . 338 H N . 16194 1 684 . 2 2 63 63 GLU H H 1 8.842 0.05 . 1 . . . . 339 E HN . 16194 1 685 . 2 2 63 63 GLU HA H 1 3.416 0.05 . 1 . . . . 339 E HA . 16194 1 686 . 2 2 63 63 GLU HB2 H 1 1.914 0.05 . 2 . . . . 339 E HB2 . 16194 1 687 . 2 2 63 63 GLU HB3 H 1 1.676 0.05 . 2 . . . . 339 E HB3 . 16194 1 688 . 2 2 63 63 GLU HG2 H 1 2.360 0.05 . 2 . . . . 339 E HG2 . 16194 1 689 . 2 2 63 63 GLU HG3 H 1 2.074 0.05 . 2 . . . . 339 E HG3 . 16194 1 690 . 2 2 63 63 GLU CA C 13 60.709 0.2 . 1 . . . . 339 E CA . 16194 1 691 . 2 2 63 63 GLU CB C 13 28.235 0.2 . 1 . . . . 339 E CB . 16194 1 692 . 2 2 63 63 GLU CG C 13 37.527 0.2 . 1 . . . . 339 E CG . 16194 1 693 . 2 2 63 63 GLU N N 15 115.608 0.2 . 1 . . . . 339 E N . 16194 1 694 . 2 2 64 64 GLU H H 1 7.379 0.05 . 1 . . . . 340 E HN . 16194 1 695 . 2 2 64 64 GLU HA H 1 3.567 0.05 . 1 . . . . 340 E HA . 16194 1 696 . 2 2 64 64 GLU HB2 H 1 1.868 0.05 . 2 . . . . 340 E HB2 . 16194 1 697 . 2 2 64 64 GLU HB3 H 1 1.711 0.05 . 2 . . . . 340 E HB3 . 16194 1 698 . 2 2 64 64 GLU HG2 H 1 1.978 0.05 . 2 . . . . 340 E QG . 16194 1 699 . 2 2 64 64 GLU HG3 H 1 1.978 0.05 . 2 . . . . 340 E QG . 16194 1 700 . 2 2 64 64 GLU CA C 13 59.099 0.2 . 1 . . . . 340 E CA . 16194 1 701 . 2 2 64 64 GLU CB C 13 31.572 0.2 . 1 . . . . 340 E CB . 16194 1 702 . 2 2 64 64 GLU CG C 13 38.131 0.2 . 1 . . . . 340 E CG . 16194 1 703 . 2 2 64 64 GLU N N 15 119.388 0.2 . 1 . . . . 340 E N . 16194 1 704 . 2 2 65 65 ALA H H 1 6.687 0.05 . 1 . . . . 341 A HN . 16194 1 705 . 2 2 65 65 ALA HA H 1 2.960 0.05 . 1 . . . . 341 A HA . 16194 1 706 . 2 2 65 65 ALA HB1 H 1 1.027 0.05 . 1 . . . . 341 A QB . 16194 1 707 . 2 2 65 65 ALA HB2 H 1 1.027 0.05 . 1 . . . . 341 A QB . 16194 1 708 . 2 2 65 65 ALA HB3 H 1 1.027 0.05 . 1 . . . . 341 A QB . 16194 1 709 . 2 2 65 65 ALA CA C 13 54.788 0.2 . 1 . . . . 341 A CA . 16194 1 710 . 2 2 65 65 ALA CB C 13 16.893 0.2 . 1 . . . . 341 A CB . 16194 1 711 . 2 2 65 65 ALA N N 15 121.180 0.2 . 1 . . . . 341 A N . 16194 1 712 . 2 2 66 66 VAL H H 1 7.836 0.05 . 1 . . . . 342 V HN . 16194 1 713 . 2 2 66 66 VAL HA H 1 3.054 0.05 . 1 . . . . 342 V HA . 16194 1 714 . 2 2 66 66 VAL HB H 1 1.511 0.05 . 1 . . . . 342 V HB . 16194 1 715 . 2 2 66 66 VAL HG11 H 1 0.253 0.05 . 1 . . . . 342 V QG1 . 16194 1 716 . 2 2 66 66 VAL HG12 H 1 0.253 0.05 . 1 . . . . 342 V QG1 . 16194 1 717 . 2 2 66 66 VAL HG13 H 1 0.253 0.05 . 1 . . . . 342 V QG1 . 16194 1 718 . 2 2 66 66 VAL HG21 H 1 0.602 0.05 . 1 . . . . 342 V QG2 . 16194 1 719 . 2 2 66 66 VAL HG22 H 1 0.602 0.05 . 1 . . . . 342 V QG2 . 16194 1 720 . 2 2 66 66 VAL HG23 H 1 0.602 0.05 . 1 . . . . 342 V QG2 . 16194 1 721 . 2 2 66 66 VAL CA C 13 66.421 0.2 . 1 . . . . 342 V CA . 16194 1 722 . 2 2 66 66 VAL CB C 13 31.579 0.2 . 1 . . . . 342 V CB . 16194 1 723 . 2 2 66 66 VAL CG1 C 13 22.638 0.2 . 2 . . . . 342 V CG1 . 16194 1 724 . 2 2 66 66 VAL CG2 C 13 20.944 0.2 . 2 . . . . 342 V CG2 . 16194 1 725 . 2 2 66 66 VAL N N 15 114.691 0.2 . 1 . . . . 342 V N . 16194 1 726 . 2 2 67 67 ALA H H 1 7.686 0.05 . 1 . . . . 343 A HN . 16194 1 727 . 2 2 67 67 ALA HA H 1 3.842 0.05 . 1 . . . . 343 A HA . 16194 1 728 . 2 2 67 67 ALA HB1 H 1 1.246 0.05 . 1 . . . . 343 A QB . 16194 1 729 . 2 2 67 67 ALA HB2 H 1 1.246 0.05 . 1 . . . . 343 A QB . 16194 1 730 . 2 2 67 67 ALA HB3 H 1 1.246 0.05 . 1 . . . . 343 A QB . 16194 1 731 . 2 2 67 67 ALA CA C 13 54.802 0.2 . 1 . . . . 343 A CA . 16194 1 732 . 2 2 67 67 ALA CB C 13 17.567 0.2 . 1 . . . . 343 A CB . 16194 1 733 . 2 2 67 67 ALA N N 15 124.016 0.2 . 1 . . . . 343 A N . 16194 1 734 . 2 2 68 68 ALA H H 1 7.780 0.05 . 1 . . . . 344 A HN . 16194 1 735 . 2 2 68 68 ALA HA H 1 3.603 0.05 . 1 . . . . 344 A HA . 16194 1 736 . 2 2 68 68 ALA HB1 H 1 0.933 0.05 . 1 . . . . 344 A QB . 16194 1 737 . 2 2 68 68 ALA HB2 H 1 0.933 0.05 . 1 . . . . 344 A QB . 16194 1 738 . 2 2 68 68 ALA HB3 H 1 0.933 0.05 . 1 . . . . 344 A QB . 16194 1 739 . 2 2 68 68 ALA CA C 13 54.642 0.2 . 1 . . . . 344 A CA . 16194 1 740 . 2 2 68 68 ALA CB C 13 18.731 0.2 . 1 . . . . 344 A CB . 16194 1 741 . 2 2 68 68 ALA N N 15 123.686 0.2 . 1 . . . . 344 A N . 16194 1 742 . 2 2 69 69 MET H H 1 7.105 0.05 . 1 . . . . 345 M HN . 16194 1 743 . 2 2 69 69 MET HA H 1 4.420 0.05 . 1 . . . . 345 M HA . 16194 1 744 . 2 2 69 69 MET HB2 H 1 2.294 0.05 . 2 . . . . 345 M HB2 . 16194 1 745 . 2 2 69 69 MET HB3 H 1 1.983 0.05 . 2 . . . . 345 M HB3 . 16194 1 746 . 2 2 69 69 MET HE1 H 1 1.673 0.05 . 1 . . . . 345 M QE . 16194 1 747 . 2 2 69 69 MET HE2 H 1 1.673 0.05 . 1 . . . . 345 M QE . 16194 1 748 . 2 2 69 69 MET HE3 H 1 1.673 0.05 . 1 . . . . 345 M QE . 16194 1 749 . 2 2 69 69 MET HG2 H 1 2.590 0.05 . 2 . . . . 345 M QG . 16194 1 750 . 2 2 69 69 MET HG3 H 1 2.590 0.05 . 2 . . . . 345 M QG . 16194 1 751 . 2 2 69 69 MET CB C 13 27.976 0.2 . 1 . . . . 345 M CB . 16194 1 752 . 2 2 69 69 MET CE C 13 15.055 0.2 . 1 . . . . 345 M CE . 16194 1 753 . 2 2 69 69 MET CG C 13 31.904 0.2 . 1 . . . . 345 M CG . 16194 1 754 . 2 2 69 69 MET N N 15 112.350 0.2 . 1 . . . . 345 M N . 16194 1 755 . 2 2 70 70 SER H H 1 7.830 0.05 . 1 . . . . 346 S HN . 16194 1 756 . 2 2 70 70 SER HA H 1 4.200 0.05 . 1 . . . . 346 S HA . 16194 1 757 . 2 2 70 70 SER HB2 H 1 3.898 0.05 . 2 . . . . 346 S QB . 16194 1 758 . 2 2 70 70 SER HB3 H 1 3.898 0.05 . 2 . . . . 346 S QB . 16194 1 759 . 2 2 70 70 SER CA C 13 61.188 0.2 . 1 . . . . 346 S CA . 16194 1 760 . 2 2 70 70 SER CB C 13 62.594 0.2 . 1 . . . . 346 S CB . 16194 1 761 . 2 2 70 70 SER N N 15 117.490 0.2 . 1 . . . . 346 S N . 16194 1 762 . 2 2 71 71 LYS H H 1 7.671 0.05 . 1 . . . . 347 K HN . 16194 1 763 . 2 2 71 71 LYS HA H 1 4.045 0.05 . 1 . . . . 347 K HA . 16194 1 764 . 2 2 71 71 LYS HD2 H 1 1.694 0.05 . 2 . . . . 347 K QD . 16194 1 765 . 2 2 71 71 LYS HD3 H 1 1.694 0.05 . 2 . . . . 347 K QD . 16194 1 766 . 2 2 71 71 LYS HE2 H 1 2.587 0.05 . 2 . . . . 347 K HE2 . 16194 1 767 . 2 2 71 71 LYS HE3 H 1 2.366 0.05 . 2 . . . . 347 K HE3 . 16194 1 768 . 2 2 71 71 LYS HG2 H 1 1.117 0.05 . 2 . . . . 347 K HG2 . 16194 1 769 . 2 2 71 71 LYS HG3 H 1 0.986 0.05 . 2 . . . . 347 K HG3 . 16194 1 770 . 2 2 71 71 LYS CA C 13 54.884 0.2 . 1 . . . . 347 K CA . 16194 1 771 . 2 2 71 71 LYS CD C 13 31.716 0.2 . 1 . . . . 347 K CD . 16194 1 772 . 2 2 71 71 LYS CE C 13 41.882 0.2 . 1 . . . . 347 K CE . 16194 1 773 . 2 2 71 71 LYS CG C 13 27.483 0.2 . 1 . . . . 347 K CG . 16194 1 774 . 2 2 71 71 LYS N N 15 120.295 0.2 . 1 . . . . 347 K N . 16194 1 775 . 2 2 72 72 ASP H H 1 7.335 0.05 . 1 . . . . 348 D HN . 16194 1 776 . 2 2 72 72 ASP HA H 1 4.160 0.05 . 1 . . . . 348 D HA . 16194 1 777 . 2 2 72 72 ASP HB2 H 1 2.687 0.05 . 2 . . . . 348 D HB2 . 16194 1 778 . 2 2 72 72 ASP HB3 H 1 2.501 0.05 . 2 . . . . 348 D HB3 . 16194 1 779 . 2 2 72 72 ASP CA C 13 57.173 0.2 . 1 . . . . 348 D CA . 16194 1 780 . 2 2 72 72 ASP CB C 13 41.242 0.2 . 1 . . . . 348 D CB . 16194 1 781 . 2 2 72 72 ASP N N 15 119.558 0.2 . 1 . . . . 348 D N . 16194 1 782 . 2 2 73 73 ARG H H 1 9.002 0.05 . 1 . . . . 349 R HN . 16194 1 783 . 2 2 73 73 ARG HA H 1 3.605 0.05 . 1 . . . . 349 R HA . 16194 1 784 . 2 2 73 73 ARG HB2 H 1 1.928 0.05 . 2 . . . . 349 R QB . 16194 1 785 . 2 2 73 73 ARG HB3 H 1 1.928 0.05 . 2 . . . . 349 R QB . 16194 1 786 . 2 2 73 73 ARG HD2 H 1 2.857 0.05 . 2 . . . . 349 R QD . 16194 1 787 . 2 2 73 73 ARG HD3 H 1 2.857 0.05 . 2 . . . . 349 R QD . 16194 1 788 . 2 2 73 73 ARG HE H 1 7.191 0.05 . 1 . . . . 349 R HE . 16194 1 789 . 2 2 73 73 ARG HG2 H 1 1.463 0.05 . 2 . . . . 349 R HG2 . 16194 1 790 . 2 2 73 73 ARG HG3 H 1 1.157 0.05 . 2 . . . . 349 R HG3 . 16194 1 791 . 2 2 73 73 ARG CA C 13 58.353 0.2 . 1 . . . . 349 R CA . 16194 1 792 . 2 2 73 73 ARG CB C 13 26.788 0.2 . 1 . . . . 349 R CB . 16194 1 793 . 2 2 73 73 ARG CD C 13 42.874 0.2 . 1 . . . . 349 R CD . 16194 1 794 . 2 2 73 73 ARG CG C 13 29.057 0.2 . 1 . . . . 349 R CG . 16194 1 795 . 2 2 73 73 ARG N N 15 121.581 0.2 . 1 . . . . 349 R N . 16194 1 796 . 2 2 73 73 ARG NE N 15 84.614 0.2 . 1 . . . . 349 R NE . 16194 1 797 . 2 2 74 74 ALA H H 1 8.111 0.05 . 1 . . . . 350 A HN . 16194 1 798 . 2 2 74 74 ALA HA H 1 4.343 0.05 . 1 . . . . 350 A HA . 16194 1 799 . 2 2 74 74 ALA HB1 H 1 1.366 0.05 . 1 . . . . 350 A QB . 16194 1 800 . 2 2 74 74 ALA HB2 H 1 1.366 0.05 . 1 . . . . 350 A QB . 16194 1 801 . 2 2 74 74 ALA HB3 H 1 1.366 0.05 . 1 . . . . 350 A QB . 16194 1 802 . 2 2 74 74 ALA CA C 13 52.114 0.2 . 1 . . . . 350 A CA . 16194 1 803 . 2 2 74 74 ALA CB C 13 19.133 0.2 . 1 . . . . 350 A CB . 16194 1 804 . 2 2 74 74 ALA N N 15 121.525 0.2 . 1 . . . . 350 A N . 16194 1 805 . 2 2 75 75 ASN H H 1 8.307 0.05 . 1 . . . . 351 N HN . 16194 1 806 . 2 2 75 75 ASN HA H 1 5.253 0.05 . 1 . . . . 351 N HA . 16194 1 807 . 2 2 75 75 ASN HB2 H 1 2.475 0.05 . 2 . . . . 351 N QB . 16194 1 808 . 2 2 75 75 ASN HB3 H 1 2.475 0.05 . 2 . . . . 351 N QB . 16194 1 809 . 2 2 75 75 ASN HD21 H 1 6.770 0.05 . 2 . . . . 351 N HD21 . 16194 1 810 . 2 2 75 75 ASN HD22 H 1 6.302 0.05 . 2 . . . . 351 N HD22 . 16194 1 811 . 2 2 75 75 ASN CA C 13 53.486 0.2 . 1 . . . . 351 N CA . 16194 1 812 . 2 2 75 75 ASN CB C 13 40.695 0.2 . 1 . . . . 351 N CB . 16194 1 813 . 2 2 75 75 ASN N N 15 116.049 0.2 . 1 . . . . 351 N N . 16194 1 814 . 2 2 75 75 ASN ND2 N 15 111.438 0.2 . 1 . . . . 351 N ND2 . 16194 1 815 . 2 2 76 76 MET H H 1 8.751 0.05 . 1 . . . . 352 M HN . 16194 1 816 . 2 2 76 76 MET HA H 1 4.172 0.05 . 1 . . . . 352 M HA . 16194 1 817 . 2 2 76 76 MET HB2 H 1 1.521 0.05 . 2 . . . . 352 M HB2 . 16194 1 818 . 2 2 76 76 MET HB3 H 1 1.448 0.05 . 2 . . . . 352 M HB3 . 16194 1 819 . 2 2 76 76 MET HE1 H 1 1.314 0.05 . 1 . . . . 352 M QE . 16194 1 820 . 2 2 76 76 MET HE2 H 1 1.314 0.05 . 1 . . . . 352 M QE . 16194 1 821 . 2 2 76 76 MET HE3 H 1 1.314 0.05 . 1 . . . . 352 M QE . 16194 1 822 . 2 2 76 76 MET HG2 H 1 2.391 0.05 . 2 . . . . 352 M HG2 . 16194 1 823 . 2 2 76 76 MET HG3 H 1 1.865 0.05 . 2 . . . . 352 M HG3 . 16194 1 824 . 2 2 76 76 MET CA C 13 56.114 0.2 . 1 . . . . 352 M CA . 16194 1 825 . 2 2 76 76 MET CB C 13 35.747 0.2 . 1 . . . . 352 M CB . 16194 1 826 . 2 2 76 76 MET CE C 13 15.921 0.2 . 1 . . . . 352 M CE . 16194 1 827 . 2 2 76 76 MET CG C 13 31.727 0.2 . 1 . . . . 352 M CG . 16194 1 828 . 2 2 76 76 MET N N 15 121.113 0.2 . 1 . . . . 352 M N . 16194 1 829 . 2 2 77 77 GLN H H 1 9.030 0.05 . 1 . . . . 353 Q HN . 16194 1 830 . 2 2 77 77 GLN HA H 1 3.595 0.05 . 1 . . . . 353 Q HA . 16194 1 831 . 2 2 77 77 GLN HB2 H 1 1.944 0.05 . 2 . . . . 353 Q HB2 . 16194 1 832 . 2 2 77 77 GLN HB3 H 1 1.772 0.05 . 2 . . . . 353 Q HB3 . 16194 1 833 . 2 2 77 77 GLN HE21 H 1 7.415 0.05 . 2 . . . . 353 Q HE21 . 16194 1 834 . 2 2 77 77 GLN HE22 H 1 6.335 0.05 . 2 . . . . 353 Q HE22 . 16194 1 835 . 2 2 77 77 GLN HG2 H 1 2.352 0.05 . 2 . . . . 353 Q HG2 . 16194 1 836 . 2 2 77 77 GLN HG3 H 1 2.222 0.05 . 2 . . . . 353 Q HG3 . 16194 1 837 . 2 2 77 77 GLN CA C 13 58.020 0.2 . 1 . . . . 353 Q CA . 16194 1 838 . 2 2 77 77 GLN CB C 13 26.647 0.2 . 1 . . . . 353 Q CB . 16194 1 839 . 2 2 77 77 GLN CG C 13 33.766 0.2 . 1 . . . . 353 Q CG . 16194 1 840 . 2 2 77 77 GLN N N 15 122.185 0.2 . 1 . . . . 353 Q N . 16194 1 841 . 2 2 77 77 GLN NE2 N 15 109.874 0.2 . 1 . . . . 353 Q NE2 . 16194 1 842 . 2 2 78 78 HIS H H 1 8.592 0.05 . 1 . . . . 354 H HN . 16194 1 843 . 2 2 78 78 HIS HA H 1 4.546 0.05 . 1 . . . . 354 H HA . 16194 1 844 . 2 2 78 78 HIS HB2 H 1 3.224 0.05 . 2 . . . . 354 H HB2 . 16194 1 845 . 2 2 78 78 HIS HB3 H 1 2.851 0.05 . 2 . . . . 354 H HB3 . 16194 1 846 . 2 2 78 78 HIS HD2 H 1 6.725 0.05 . 1 . . . . 354 H HD2 . 16194 1 847 . 2 2 78 78 HIS CA C 13 56.753 0.2 . 1 . . . . 354 H CA . 16194 1 848 . 2 2 78 78 HIS CB C 13 29.988 0.2 . 1 . . . . 354 H CB . 16194 1 849 . 2 2 78 78 HIS CD2 C 13 118.108 0.2 . 1 . . . . 354 H CD2 . 16194 1 850 . 2 2 78 78 HIS N N 15 120.141 0.2 . 1 . . . . 354 H N . 16194 1 851 . 2 2 79 79 ARG H H 1 7.491 0.05 . 1 . . . . 355 R HN . 16194 1 852 . 2 2 79 79 ARG HA H 1 4.396 0.05 . 1 . . . . 355 R HA . 16194 1 853 . 2 2 79 79 ARG HB2 H 1 1.662 0.05 . 2 . . . . 355 R QB . 16194 1 854 . 2 2 79 79 ARG HB3 H 1 1.662 0.05 . 2 . . . . 355 R QB . 16194 1 855 . 2 2 79 79 ARG HE H 1 6.337 0.05 . 1 . . . . 355 R HE . 16194 1 856 . 2 2 79 79 ARG HG2 H 1 1.172 0.05 . 2 . . . . 355 R QG . 16194 1 857 . 2 2 79 79 ARG HG3 H 1 1.172 0.05 . 2 . . . . 355 R QG . 16194 1 858 . 2 2 79 79 ARG CA C 13 52.618 0.2 . 1 . . . . 355 R CA . 16194 1 859 . 2 2 79 79 ARG N N 15 120.796 0.2 . 1 . . . . 355 R N . 16194 1 860 . 2 2 79 79 ARG NE N 15 81.990 0.2 . 1 . . . . 355 R NE . 16194 1 861 . 2 2 80 80 TYR H H 1 8.007 0.05 . 1 . . . . 356 Y HN . 16194 1 862 . 2 2 80 80 TYR HA H 1 5.146 0.05 . 1 . . . . 356 Y HA . 16194 1 863 . 2 2 80 80 TYR HB2 H 1 2.763 0.05 . 2 . . . . 356 Y HB2 . 16194 1 864 . 2 2 80 80 TYR HB3 H 1 2.565 0.05 . 2 . . . . 356 Y HB3 . 16194 1 865 . 2 2 80 80 TYR HD1 H 1 6.573 0.05 . 3 . . . . 356 Y HD1 . 16194 1 866 . 2 2 80 80 TYR HD2 H 1 6.581 0.05 . 3 . . . . 356 Y HD2 . 16194 1 867 . 2 2 80 80 TYR HE1 H 1 6.083 0.05 . 3 . . . . 356 Y QE . 16194 1 868 . 2 2 80 80 TYR HE2 H 1 6.083 0.05 . 3 . . . . 356 Y QE . 16194 1 869 . 2 2 80 80 TYR CA C 13 55.511 0.2 . 1 . . . . 356 Y CA . 16194 1 870 . 2 2 80 80 TYR CB C 13 39.523 0.2 . 1 . . . . 356 Y CB . 16194 1 871 . 2 2 80 80 TYR CD1 C 13 132.653 0.2 . 3 . . . . 356 Y CD1 . 16194 1 872 . 2 2 80 80 TYR CE1 C 13 117.139 0.2 . 3 . . . . 356 Y CE1 . 16194 1 873 . 2 2 80 80 TYR N N 15 116.230 0.2 . 1 . . . . 356 Y N . 16194 1 874 . 2 2 81 81 ILE H H 1 8.832 0.05 . 1 . . . . 357 I HN . 16194 1 875 . 2 2 81 81 ILE HA H 1 4.443 0.05 . 1 . . . . 357 I HA . 16194 1 876 . 2 2 81 81 ILE HB H 1 2.035 0.05 . 1 . . . . 357 I HB . 16194 1 877 . 2 2 81 81 ILE HD11 H 1 0.185 0.05 . 1 . . . . 357 I QD1 . 16194 1 878 . 2 2 81 81 ILE HD12 H 1 0.185 0.05 . 1 . . . . 357 I QD1 . 16194 1 879 . 2 2 81 81 ILE HD13 H 1 0.185 0.05 . 1 . . . . 357 I QD1 . 16194 1 880 . 2 2 81 81 ILE HG12 H 1 1.318 0.05 . 2 . . . . 357 I HG12 . 16194 1 881 . 2 2 81 81 ILE HG13 H 1 0.084 0.05 . 2 . . . . 357 I HG13 . 16194 1 882 . 2 2 81 81 ILE HG21 H 1 0.375 0.05 . 1 . . . . 357 I QG2 . 16194 1 883 . 2 2 81 81 ILE HG22 H 1 0.375 0.05 . 1 . . . . 357 I QG2 . 16194 1 884 . 2 2 81 81 ILE HG23 H 1 0.375 0.05 . 1 . . . . 357 I QG2 . 16194 1 885 . 2 2 81 81 ILE CA C 13 57.000 0.2 . 1 . . . . 357 I CA . 16194 1 886 . 2 2 81 81 ILE CB C 13 36.400 0.2 . 1 . . . . 357 I CB . 16194 1 887 . 2 2 81 81 ILE CD1 C 13 8.775 0.2 . 1 . . . . 357 I CD1 . 16194 1 888 . 2 2 81 81 ILE CG1 C 13 26.842 0.2 . 1 . . . . 357 I CG1 . 16194 1 889 . 2 2 81 81 ILE CG2 C 13 18.177 0.2 . 1 . . . . 357 I CG2 . 16194 1 890 . 2 2 81 81 ILE N N 15 124.976 0.2 . 1 . . . . 357 I N . 16194 1 891 . 2 2 82 82 GLU H H 1 8.607 0.05 . 1 . . . . 358 E HN . 16194 1 892 . 2 2 82 82 GLU HA H 1 4.189 0.05 . 1 . . . . 358 E HA . 16194 1 893 . 2 2 82 82 GLU HB2 H 1 2.205 0.05 . 2 . . . . 358 E QB . 16194 1 894 . 2 2 82 82 GLU HB3 H 1 2.205 0.05 . 2 . . . . 358 E QB . 16194 1 895 . 2 2 82 82 GLU HG2 H 1 2.182 0.05 . 2 . . . . 358 E QG . 16194 1 896 . 2 2 82 82 GLU HG3 H 1 2.182 0.05 . 2 . . . . 358 E QG . 16194 1 897 . 2 2 82 82 GLU CA C 13 55.300 0.2 . 1 . . . . 358 E CA . 16194 1 898 . 2 2 82 82 GLU CB C 13 33.627 0.2 . 1 . . . . 358 E CB . 16194 1 899 . 2 2 82 82 GLU CG C 13 36.446 0.2 . 1 . . . . 358 E CG . 16194 1 900 . 2 2 82 82 GLU N N 15 125.577 0.2 . 1 . . . . 358 E N . 16194 1 901 . 2 2 83 83 LEU H H 1 8.301 0.05 . 1 . . . . 359 L HN . 16194 1 902 . 2 2 83 83 LEU HA H 1 5.439 0.05 . 1 . . . . 359 L HA . 16194 1 903 . 2 2 83 83 LEU HB2 H 1 1.408 0.05 . 2 . . . . 359 L HB2 . 16194 1 904 . 2 2 83 83 LEU HB3 H 1 1.353 0.05 . 2 . . . . 359 L HB3 . 16194 1 905 . 2 2 83 83 LEU HD11 H 1 0.975 0.05 . 1 . . . . 359 L QD1 . 16194 1 906 . 2 2 83 83 LEU HD12 H 1 0.975 0.05 . 1 . . . . 359 L QD1 . 16194 1 907 . 2 2 83 83 LEU HD13 H 1 0.975 0.05 . 1 . . . . 359 L QD1 . 16194 1 908 . 2 2 83 83 LEU HD21 H 1 0.895 0.05 . 1 . . . . 359 L QD2 . 16194 1 909 . 2 2 83 83 LEU HD22 H 1 0.895 0.05 . 1 . . . . 359 L QD2 . 16194 1 910 . 2 2 83 83 LEU HD23 H 1 0.895 0.05 . 1 . . . . 359 L QD2 . 16194 1 911 . 2 2 83 83 LEU HG H 1 1.679 0.05 . 1 . . . . 359 L HG . 16194 1 912 . 2 2 83 83 LEU CA C 13 52.245 0.2 . 1 . . . . 359 L CA . 16194 1 913 . 2 2 83 83 LEU CB C 13 45.227 0.2 . 1 . . . . 359 L CB . 16194 1 914 . 2 2 83 83 LEU CD1 C 13 28.296 0.2 . 2 . . . . 359 L CD1 . 16194 1 915 . 2 2 83 83 LEU CD2 C 13 26.247 0.2 . 2 . . . . 359 L CD2 . 16194 1 916 . 2 2 83 83 LEU CG C 13 28.847 0.2 . 1 . . . . 359 L CG . 16194 1 917 . 2 2 83 83 LEU N N 15 120.838 0.2 . 1 . . . . 359 L N . 16194 1 918 . 2 2 84 84 PHE H H 1 8.657 0.05 . 1 . . . . 360 F HN . 16194 1 919 . 2 2 84 84 PHE HA H 1 4.584 0.05 . 1 . . . . 360 F HA . 16194 1 920 . 2 2 84 84 PHE HB2 H 1 3.100 0.05 . 2 . . . . 360 F HB2 . 16194 1 921 . 2 2 84 84 PHE HB3 H 1 2.689 0.05 . 2 . . . . 360 F HB3 . 16194 1 922 . 2 2 84 84 PHE HD1 H 1 6.910 0.05 . 3 . . . . 360 F QD . 16194 1 923 . 2 2 84 84 PHE HD2 H 1 6.910 0.05 . 3 . . . . 360 F QD . 16194 1 924 . 2 2 84 84 PHE HE1 H 1 6.946 0.05 . 3 . . . . 360 F QE . 16194 1 925 . 2 2 84 84 PHE HE2 H 1 6.946 0.05 . 3 . . . . 360 F QE . 16194 1 926 . 2 2 84 84 PHE HZ H 1 6.581 0.05 . 1 . . . . 360 F HZ . 16194 1 927 . 2 2 84 84 PHE CA C 13 56.226 0.2 . 1 . . . . 360 F CA . 16194 1 928 . 2 2 84 84 PHE CB C 13 42.164 0.2 . 1 . . . . 360 F CB . 16194 1 929 . 2 2 84 84 PHE CD1 C 13 130.500 0.2 . 3 . . . . 360 F CD1 . 16194 1 930 . 2 2 84 84 PHE N N 15 117.501 0.2 . 1 . . . . 360 F N . 16194 1 931 . 2 2 85 85 LEU H H 1 9.041 0.05 . 1 . . . . 361 L HN . 16194 1 932 . 2 2 85 85 LEU HA H 1 4.352 0.05 . 1 . . . . 361 L HA . 16194 1 933 . 2 2 85 85 LEU HB2 H 1 1.961 0.05 . 2 . . . . 361 L HB2 . 16194 1 934 . 2 2 85 85 LEU HB3 H 1 1.590 0.05 . 2 . . . . 361 L HB3 . 16194 1 935 . 2 2 85 85 LEU HD11 H 1 0.885 0.05 . 1 . . . . 361 L QD1 . 16194 1 936 . 2 2 85 85 LEU HD12 H 1 0.885 0.05 . 1 . . . . 361 L QD1 . 16194 1 937 . 2 2 85 85 LEU HD13 H 1 0.885 0.05 . 1 . . . . 361 L QD1 . 16194 1 938 . 2 2 85 85 LEU HD21 H 1 0.675 0.05 . 1 . . . . 361 L QD2 . 16194 1 939 . 2 2 85 85 LEU HD22 H 1 0.675 0.05 . 1 . . . . 361 L QD2 . 16194 1 940 . 2 2 85 85 LEU HD23 H 1 0.675 0.05 . 1 . . . . 361 L QD2 . 16194 1 941 . 2 2 85 85 LEU HG H 1 1.593 0.05 . 1 . . . . 361 L HG . 16194 1 942 . 2 2 85 85 LEU CA C 13 56.122 0.2 . 1 . . . . 361 L CA . 16194 1 943 . 2 2 85 85 LEU CB C 13 42.043 0.2 . 1 . . . . 361 L CB . 16194 1 944 . 2 2 85 85 LEU CD1 C 13 26.878 0.2 . 2 . . . . 361 L CD1 . 16194 1 945 . 2 2 85 85 LEU CD2 C 13 23.945 0.2 . 2 . . . . 361 L CD2 . 16194 1 946 . 2 2 85 85 LEU CG C 13 27.300 0.2 . 1 . . . . 361 L CG . 16194 1 947 . 2 2 85 85 LEU N N 15 127.551 0.2 . 1 . . . . 361 L N . 16194 1 948 . 2 2 86 86 ASN H H 1 8.807 0.05 . 1 . . . . 362 N HN . 16194 1 949 . 2 2 86 86 ASN HA H 1 5.048 0.05 . 1 . . . . 362 N HA . 16194 1 950 . 2 2 86 86 ASN HB2 H 1 2.660 0.05 . 2 . . . . 362 N HB2 . 16194 1 951 . 2 2 86 86 ASN HB3 H 1 2.381 0.05 . 2 . . . . 362 N HB3 . 16194 1 952 . 2 2 86 86 ASN HD21 H 1 7.515 0.05 . 2 . . . . 362 N HD21 . 16194 1 953 . 2 2 86 86 ASN HD22 H 1 6.755 0.05 . 2 . . . . 362 N HD22 . 16194 1 954 . 2 2 86 86 ASN CA C 13 52.099 0.2 . 1 . . . . 362 N CA . 16194 1 955 . 2 2 86 86 ASN CB C 13 38.975 0.2 . 1 . . . . 362 N CB . 16194 1 956 . 2 2 86 86 ASN N N 15 129.608 0.2 . 1 . . . . 362 N N . 16194 1 957 . 2 2 86 86 ASN ND2 N 15 111.886 0.2 . 1 . . . . 362 N ND2 . 16194 1 958 . 2 2 87 87 SER H H 1 7.647 0.05 . 1 . . . . 363 S HN . 16194 1 959 . 2 2 87 87 SER HA H 1 5.156 0.05 . 1 . . . . 363 S HA . 16194 1 960 . 2 2 87 87 SER HB2 H 1 3.660 0.05 . 2 . . . . 363 S QB . 16194 1 961 . 2 2 87 87 SER HB3 H 1 3.660 0.05 . 2 . . . . 363 S QB . 16194 1 962 . 2 2 87 87 SER CA C 13 56.990 0.2 . 1 . . . . 363 S CA . 16194 1 963 . 2 2 87 87 SER CB C 13 63.627 0.2 . 1 . . . . 363 S CB . 16194 1 964 . 2 2 87 87 SER N N 15 114.565 0.2 . 1 . . . . 363 S N . 16194 1 965 . 2 2 88 88 THR H H 1 8.212 0.05 . 1 . . . . 364 T HN . 16194 1 966 . 2 2 88 88 THR HA H 1 4.362 0.05 . 1 . . . . 364 T HA . 16194 1 967 . 2 2 88 88 THR HB H 1 4.095 0.05 . 1 . . . . 364 T HB . 16194 1 968 . 2 2 88 88 THR HG21 H 1 1.064 0.05 . 1 . . . . 364 T QG2 . 16194 1 969 . 2 2 88 88 THR HG22 H 1 1.064 0.05 . 1 . . . . 364 T QG2 . 16194 1 970 . 2 2 88 88 THR HG23 H 1 1.064 0.05 . 1 . . . . 364 T QG2 . 16194 1 971 . 2 2 88 88 THR CA C 13 60.299 0.2 . 1 . . . . 364 T CA . 16194 1 972 . 2 2 88 88 THR CB C 13 71.775 0.2 . 1 . . . . 364 T CB . 16194 1 973 . 2 2 88 88 THR CG2 C 13 21.440 0.2 . 1 . . . . 364 T CG2 . 16194 1 974 . 2 2 88 88 THR N N 15 119.499 0.2 . 1 . . . . 364 T N . 16194 1 975 . 2 2 89 89 THR H H 1 7.824 0.05 . 1 . . . . 365 T HN . 16194 1 976 . 2 2 89 89 THR HA H 1 4.694 0.05 . 1 . . . . 365 T HA . 16194 1 977 . 2 2 89 89 THR HB H 1 3.849 0.05 . 1 . . . . 365 T HB . 16194 1 978 . 2 2 89 89 THR HG21 H 1 0.823 0.05 . 1 . . . . 365 T QG2 . 16194 1 979 . 2 2 89 89 THR HG22 H 1 0.823 0.05 . 1 . . . . 365 T QG2 . 16194 1 980 . 2 2 89 89 THR HG23 H 1 0.823 0.05 . 1 . . . . 365 T QG2 . 16194 1 981 . 2 2 89 89 THR CB C 13 69.431 0.2 . 1 . . . . 365 T CB . 16194 1 982 . 2 2 89 89 THR CG2 C 13 20.746 0.2 . 1 . . . . 365 T CG2 . 16194 1 983 . 2 2 89 89 THR N N 15 112.847 0.2 . 1 . . . . 365 T N . 16194 1 984 . 2 2 90 90 GLY H H 1 8.121 0.05 . 1 . . . . 366 G HN . 16194 1 985 . 2 2 90 90 GLY HA2 H 1 4.693 0.05 . 1 . . . . 366 G HA2 . 16194 1 986 . 2 2 90 90 GLY HA3 H 1 3.862 0.05 . 2 . . . . 366 G HA3 . 16194 1 987 . 2 2 90 90 GLY CA C 13 45.317 0.2 . 1 . . . . 366 G CA . 16194 1 988 . 2 2 90 90 GLY N N 15 110.871 0.2 . 1 . . . . 366 G N . 16194 1 989 . 2 2 91 91 ALA H H 1 8.130 0.05 . 1 . . . . 367 A HN . 16194 1 990 . 2 2 91 91 ALA HA H 1 4.252 0.05 . 1 . . . . 367 A HA . 16194 1 991 . 2 2 91 91 ALA HB1 H 1 1.248 0.05 . 1 . . . . 367 A QB . 16194 1 992 . 2 2 91 91 ALA HB2 H 1 1.248 0.05 . 1 . . . . 367 A QB . 16194 1 993 . 2 2 91 91 ALA HB3 H 1 1.248 0.05 . 1 . . . . 367 A QB . 16194 1 994 . 2 2 91 91 ALA CA C 13 52.387 0.2 . 1 . . . . 367 A CA . 16194 1 995 . 2 2 91 91 ALA CB C 13 19.248 0.2 . 1 . . . . 367 A CB . 16194 1 996 . 2 2 91 91 ALA N N 15 123.901 0.2 . 1 . . . . 367 A N . 16194 1 997 . 2 2 92 92 SER H H 1 8.283 0.05 . 1 . . . . 368 S HN . 16194 1 998 . 2 2 92 92 SER HA H 1 4.697 0.05 . 1 . . . . 368 S HA . 16194 1 999 . 2 2 92 92 SER HB2 H 1 3.749 0.05 . 2 . . . . 368 S QB . 16194 1 1000 . 2 2 92 92 SER HB3 H 1 3.749 0.05 . 2 . . . . 368 S QB . 16194 1 1001 . 2 2 92 92 SER CB C 13 63.754 0.2 . 1 . . . . 368 S CB . 16194 1 1002 . 2 2 92 92 SER N N 15 115.672 0.2 . 1 . . . . 368 S N . 16194 1 1003 . 2 2 93 93 ASN H H 1 7.977 0.05 . 1 . . . . 369 N HN . 16194 1 1004 . 2 2 93 93 ASN HA H 1 4.374 0.05 . 1 . . . . 369 N HA . 16194 1 1005 . 2 2 93 93 ASN HB2 H 1 2.654 0.05 . 2 . . . . 369 N QB . 16194 1 1006 . 2 2 93 93 ASN HB3 H 1 2.654 0.05 . 2 . . . . 369 N QB . 16194 1 1007 . 2 2 93 93 ASN CA C 13 54.998 0.2 . 1 . . . . 369 N CA . 16194 1 1008 . 2 2 93 93 ASN CB C 13 40.774 0.2 . 1 . . . . 369 N CB . 16194 1 1009 . 2 2 93 93 ASN N N 15 125.765 0.2 . 1 . . . . 369 N N . 16194 1 1010 . 2 2 94 94 GLY H H 1 8.199 0.05 . 1 . . . . 370 G HN . 16194 1 1011 . 2 2 94 94 GLY HA2 H 1 3.757 0.05 . 2 . . . . 370 G QA . 16194 1 1012 . 2 2 94 94 GLY HA3 H 1 3.757 0.05 . 2 . . . . 370 G QA . 16194 1 1013 . 2 2 94 94 GLY CA C 13 45.307 0.2 . 1 . . . . 370 G CA . 16194 1 1014 . 2 2 94 94 GLY N N 15 114.155 0.2 . 1 . . . . 370 G N . 16194 1 1015 . 2 2 95 95 ALA H H 1 7.991 0.05 . 1 . . . . 371 A HN . 16194 1 1016 . 2 2 95 95 ALA HA H 1 4.127 0.05 . 1 . . . . 371 A HA . 16194 1 1017 . 2 2 95 95 ALA HB1 H 1 1.140 0.05 . 1 . . . . 371 A QB . 16194 1 1018 . 2 2 95 95 ALA HB2 H 1 1.140 0.05 . 1 . . . . 371 A QB . 16194 1 1019 . 2 2 95 95 ALA HB3 H 1 1.140 0.05 . 1 . . . . 371 A QB . 16194 1 1020 . 2 2 95 95 ALA CA C 13 52.587 0.2 . 1 . . . . 371 A CA . 16194 1 1021 . 2 2 95 95 ALA CB C 13 19.023 0.2 . 1 . . . . 371 A CB . 16194 1 1022 . 2 2 95 95 ALA N N 15 123.490 0.2 . 1 . . . . 371 A N . 16194 1 1023 . 2 2 96 96 TYR H H 1 8.044 0.05 . 1 . . . . 372 Y HN . 16194 1 1024 . 2 2 96 96 TYR HA H 1 4.425 0.05 . 1 . . . . 372 Y HA . 16194 1 1025 . 2 2 96 96 TYR HB2 H 1 2.938 0.05 . 2 . . . . 372 Y HB2 . 16194 1 1026 . 2 2 96 96 TYR HB3 H 1 2.827 0.05 . 2 . . . . 372 Y HB3 . 16194 1 1027 . 2 2 96 96 TYR HD1 H 1 6.975 0.05 . 3 . . . . 372 Y QD . 16194 1 1028 . 2 2 96 96 TYR HD2 H 1 6.975 0.05 . 3 . . . . 372 Y QD . 16194 1 1029 . 2 2 96 96 TYR HE1 H 1 6.671 0.05 . 3 . . . . 372 Y QE . 16194 1 1030 . 2 2 96 96 TYR HE2 H 1 6.671 0.05 . 3 . . . . 372 Y QE . 16194 1 1031 . 2 2 96 96 TYR CA C 13 57.865 0.2 . 1 . . . . 372 Y CA . 16194 1 1032 . 2 2 96 96 TYR CB C 13 38.574 0.2 . 1 . . . . 372 Y CB . 16194 1 1033 . 2 2 96 96 TYR CD1 C 13 133.058 0.2 . 3 . . . . 372 Y CD1 . 16194 1 1034 . 2 2 96 96 TYR CE1 C 13 117.909 0.2 . 3 . . . . 372 Y CE1 . 16194 1 1035 . 2 2 96 96 TYR N N 15 119.123 0.2 . 1 . . . . 372 Y N . 16194 1 1036 . 2 2 97 97 SER H H 1 7.986 0.05 . 1 . . . . 373 S HN . 16194 1 1037 . 2 2 97 97 SER HA H 1 4.273 0.05 . 1 . . . . 373 S HA . 16194 1 1038 . 2 2 97 97 SER HB2 H 1 4.648 0.05 . 2 . . . . 373 S HB2 . 16194 1 1039 . 2 2 97 97 SER HB3 H 1 3.731 0.05 . 2 . . . . 373 S HB3 . 16194 1 1040 . 2 2 97 97 SER CA C 13 58.425 0.2 . 1 . . . . 373 S CA . 16194 1 1041 . 2 2 97 97 SER CB C 13 64.339 0.2 . 1 . . . . 373 S CB . 16194 1 1042 . 2 2 97 97 SER N N 15 117.116 0.2 . 1 . . . . 373 S N . 16194 1 1043 . 2 2 98 98 SER H H 1 8.238 0.05 . 1 . . . . 374 S HN . 16194 1 1044 . 2 2 98 98 SER HA H 1 4.239 0.05 . 1 . . . . 374 S HA . 16194 1 1045 . 2 2 98 98 SER HB2 H 1 3.696 0.05 . 2 . . . . 374 S QB . 16194 1 1046 . 2 2 98 98 SER HB3 H 1 3.696 0.05 . 2 . . . . 374 S QB . 16194 1 1047 . 2 2 98 98 SER CA C 13 59.543 0.2 . 1 . . . . 374 S CA . 16194 1 1048 . 2 2 98 98 SER CB C 13 63.762 0.2 . 1 . . . . 374 S CB . 16194 1 1049 . 2 2 98 98 SER N N 15 117.723 0.2 . 1 . . . . 374 S N . 16194 1 1050 . 2 2 99 99 GLN H H 1 8.208 0.05 . 1 . . . . 375 Q HN . 16194 1 1051 . 2 2 99 99 GLN HA H 1 4.181 0.05 . 1 . . . . 375 Q HA . 16194 1 1052 . 2 2 99 99 GLN HB2 H 1 1.952 0.05 . 2 . . . . 375 Q HB2 . 16194 1 1053 . 2 2 99 99 GLN HB3 H 1 1.832 0.05 . 2 . . . . 375 Q HB3 . 16194 1 1054 . 2 2 99 99 GLN HE21 H 1 7.386 0.05 . 2 . . . . 375 Q HE21 . 16194 1 1055 . 2 2 99 99 GLN HE22 H 1 6.727 0.05 . 2 . . . . 375 Q HE22 . 16194 1 1056 . 2 2 99 99 GLN HG2 H 1 2.207 0.05 . 2 . . . . 375 Q QG . 16194 1 1057 . 2 2 99 99 GLN HG3 H 1 2.207 0.05 . 2 . . . . 375 Q QG . 16194 1 1058 . 2 2 99 99 GLN CA C 13 55.948 0.2 . 1 . . . . 375 Q CA . 16194 1 1059 . 2 2 99 99 GLN CB C 13 29.247 0.2 . 1 . . . . 375 Q CB . 16194 1 1060 . 2 2 99 99 GLN CG C 13 33.706 0.2 . 1 . . . . 375 Q CG . 16194 1 1061 . 2 2 99 99 GLN N N 15 121.958 0.2 . 1 . . . . 375 Q N . 16194 1 1062 . 2 2 99 99 GLN NE2 N 15 112.397 0.2 . 1 . . . . 375 Q NE2 . 16194 1 1063 . 2 2 100 100 VAL H H 1 7.964 0.05 . 1 . . . . 376 V HN . 16194 1 1064 . 2 2 100 100 VAL HA H 1 3.902 0.05 . 1 . . . . 376 V HA . 16194 1 1065 . 2 2 100 100 VAL HB H 1 1.891 0.05 . 1 . . . . 376 V HB . 16194 1 1066 . 2 2 100 100 VAL HG11 H 1 0.772 0.05 . 1 . . . . 376 V QG1 . 16194 1 1067 . 2 2 100 100 VAL HG12 H 1 0.772 0.05 . 1 . . . . 376 V QG1 . 16194 1 1068 . 2 2 100 100 VAL HG13 H 1 0.772 0.05 . 1 . . . . 376 V QG1 . 16194 1 1069 . 2 2 100 100 VAL HG21 H 1 0.780 0.05 . 1 . . . . 376 V QG2 . 16194 1 1070 . 2 2 100 100 VAL HG22 H 1 0.780 0.05 . 1 . . . . 376 V QG2 . 16194 1 1071 . 2 2 100 100 VAL HG23 H 1 0.780 0.05 . 1 . . . . 376 V QG2 . 16194 1 1072 . 2 2 100 100 VAL CA C 13 62.456 0.2 . 1 . . . . 376 V CA . 16194 1 1073 . 2 2 100 100 VAL CB C 13 32.554 0.2 . 1 . . . . 376 V CB . 16194 1 1074 . 2 2 100 100 VAL CG1 C 13 20.829 0.2 . 2 . . . . 376 V CG1 . 16194 1 1075 . 2 2 100 100 VAL CG2 C 13 20.723 0.2 . 2 . . . . 376 V CG2 . 16194 1 1076 . 2 2 100 100 VAL N N 15 121.033 0.2 . 1 . . . . 376 V N . 16194 1 1077 . 2 2 101 101 MET H H 1 8.277 0.05 . 1 . . . . 377 M HN . 16194 1 1078 . 2 2 101 101 MET HA H 1 4.334 0.05 . 1 . . . . 377 M HA . 16194 1 1079 . 2 2 101 101 MET HB2 H 1 1.944 0.05 . 2 . . . . 377 M HB2 . 16194 1 1080 . 2 2 101 101 MET HB3 H 1 1.870 0.05 . 2 . . . . 377 M HB3 . 16194 1 1081 . 2 2 101 101 MET HG2 H 1 2.462 0.05 . 2 . . . . 377 M HG2 . 16194 1 1082 . 2 2 101 101 MET HG3 H 1 2.373 0.05 . 2 . . . . 377 M HG3 . 16194 1 1083 . 2 2 101 101 MET CA C 13 55.410 0.2 . 1 . . . . 377 M CA . 16194 1 1084 . 2 2 101 101 MET CB C 13 32.698 0.2 . 1 . . . . 377 M CB . 16194 1 1085 . 2 2 101 101 MET CG C 13 31.981 0.2 . 1 . . . . 377 M CG . 16194 1 1086 . 2 2 101 101 MET N N 15 123.747 0.2 . 1 . . . . 377 M N . 16194 1 1087 . 2 2 102 102 GLN H H 1 8.188 0.05 . 1 . . . . 378 Q HN . 16194 1 1088 . 2 2 102 102 GLN N N 15 124.834 0.2 . 1 . . . . 378 Q N . 16194 1 1089 . 2 2 103 103 GLY H H 1 8.128 0.05 . 1 . . . . 379 G HN . 16194 1 1090 . 2 2 103 103 GLY N N 15 107.837 0.2 . 1 . . . . 379 G N . 16194 1 1091 . 2 2 104 104 MET H H 1 8.191 0.05 . 1 . . . . 380 M HN . 16194 1 1092 . 2 2 104 104 MET N N 15 119.735 0.2 . 1 . . . . 380 M N . 16194 1 1093 . 2 2 105 105 GLY H H 1 8.353 0.05 . 1 . . . . 381 G HN . 16194 1 1094 . 2 2 105 105 GLY HA2 H 1 3.824 0.05 . 2 . . . . 381 G QA . 16194 1 1095 . 2 2 105 105 GLY HA3 H 1 3.824 0.05 . 2 . . . . 381 G QA . 16194 1 1096 . 2 2 105 105 GLY CA C 13 45.272 0.2 . 1 . . . . 381 G CA . 16194 1 1097 . 2 2 105 105 GLY N N 15 110.091 0.2 . 1 . . . . 381 G N . 16194 1 stop_ save_