data_17502 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17502 _Entry.Title ; NMR STRUCTURE OF THE C-TERMINAL RRM DOMAIN OF POLY(U) BINDING 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-01 _Entry.Accession_date 2011-03-01 _Entry.Last_release_date 2012-03-01 _Entry.Original_release_date 2012-03-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 C.M. Santiveri . M. . 17502 2 Y. Mirassou . . . 17502 3 P. Rico-Lastres . M. . 17502 4 S. Martinez-Lumbreras . M. . 17502 5 J.M. Perez-Canadillas . M. . 17502 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 1 'not applicable' 'not applicable' . 17502 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NUCLEUS . 17502 RNA-BINDING . 17502 'RNA RECOGNITION' . 17502 RRM . 17502 'STRESS GRANULES' . 17502 TRANSCRIPTION . 17502 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17502 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 17502 '15N chemical shifts' 100 17502 '1H chemical shifts' 697 17502 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-03-01 2011-03-01 original author . 17502 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LA4 'BMRB Entry Tracking System' 17502 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17502 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21931728 _Citation.Full_citation . _Citation.Title 'Pub1p C-terminal RRM domain interacts with Tif4631p through a conserved region neighbouring the Pab1p binding site' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 9 _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 e24481 _Citation.Page_last . _Citation.Year 2011 _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 Clara Santiveri . M. . 17502 1 2 Yasmina Mirassou . . . 17502 1 3 Palma Rico-Lastres . R. . 17502 1 4 Santiago Martinez-Lumbreras . M. . 17502 1 5 Jose Perez-Canadillas . M. . 17502 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17502 _Assembly.ID 1 _Assembly.Name 'NUCLEAR AND CYTOPLASMIC POLYADENYLATED RNA-BINDING PUB1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NUCLEAR AND CYTOPLASMIC POLYADENYLATED RNA-BINDING PUB1' 1 $PUB1_RRM3 A . yes native no no . . . 17502 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PUB1_RRM3 _Entity.Sf_category entity _Entity.Sf_framecode PUB1_RRM3 _Entity.Entry_ID 17502 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NUCLEAR_AND_CYTOPLASMIC_POLYADENYLATED_RNA-BINDING_PUB1 _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 ; GSQTIGLPPQVNPQAVDHII RSAPPRVTTAYIGNIPHFAT EADLIPLFQNFGFILDFKHY PEKGCCFIKYDTHEQAAVCI VALANFPFQGRNLRTGWGKE R ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'C-TERMINAL RRM DOMAIN, RESIDUES 315-414' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11295.992 _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 2LA4 . "Nmr Structure Of The C-Terminal Rrm Domain Of Poly(U) Binding 1" . . . . . 100.00 101 100.00 100.00 2.92e-68 . . . . 17502 1 2 no DBJ GAA26078 . "K7_Pub1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.01 453 100.00 100.00 2.37e-66 . . . . 17502 1 3 no EMBL CAA95877 . "PUB1 [Saccharomyces cerevisiae]" . . . . . 99.01 453 100.00 100.00 2.27e-66 . . . . 17502 1 4 no EMBL CAY82177 . "Pub1p [Saccharomyces cerevisiae EC1118]" . . . . . 99.01 453 100.00 100.00 2.78e-66 . . . . 17502 1 5 no GB AAA02808 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 99.01 429 100.00 100.00 5.90e-67 . . . . 17502 1 6 no GB AAC37348 . "RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 99.01 453 100.00 100.00 2.78e-66 . . . . 17502 1 7 no GB AAC37364 . "poly(A)-binding protein [Saccharomyces cerevisiae]" . . . . . 99.01 453 100.00 100.00 2.78e-66 . . . . 17502 1 8 no GB AHY77075 . "Pub1p [Saccharomyces cerevisiae YJM993]" . . . . . 99.01 453 100.00 100.00 2.78e-66 . . . . 17502 1 9 no GB AJP41312 . "Pub1p [Saccharomyces cerevisiae YJM1078]" . . . . . 99.01 453 100.00 100.00 2.78e-66 . . . . 17502 1 10 no REF NP_014382 . "Pub1p [Saccharomyces cerevisiae S288c]" . . . . . 99.01 453 100.00 100.00 2.27e-66 . . . . 17502 1 11 no SP P32588 . "RecName: Full=Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1; AltName: Full=ARS consensus-binding protein ACBP" . . . . . 99.01 453 100.00 100.00 2.27e-66 . . . . 17502 1 12 no TPG DAA10528 . "TPA: Pub1p [Saccharomyces cerevisiae S288c]" . . . . . 99.01 453 100.00 100.00 2.27e-66 . . . . 17502 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PUB1P, ARS CONSENSUS-BINDING PROTEIN ACBP-60, POLY URIDYLATE-BINDING PROTEIN, POLY(U)-BINDING PROTEIN' . 17502 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 314 GLY . 17502 1 2 315 SER . 17502 1 3 316 GLN . 17502 1 4 317 THR . 17502 1 5 318 ILE . 17502 1 6 319 GLY . 17502 1 7 320 LEU . 17502 1 8 321 PRO . 17502 1 9 322 PRO . 17502 1 10 323 GLN . 17502 1 11 324 VAL . 17502 1 12 325 ASN . 17502 1 13 326 PRO . 17502 1 14 327 GLN . 17502 1 15 328 ALA . 17502 1 16 329 VAL . 17502 1 17 330 ASP . 17502 1 18 331 HIS . 17502 1 19 332 ILE . 17502 1 20 333 ILE . 17502 1 21 334 ARG . 17502 1 22 335 SER . 17502 1 23 336 ALA . 17502 1 24 337 PRO . 17502 1 25 338 PRO . 17502 1 26 339 ARG . 17502 1 27 340 VAL . 17502 1 28 341 THR . 17502 1 29 342 THR . 17502 1 30 343 ALA . 17502 1 31 344 TYR . 17502 1 32 345 ILE . 17502 1 33 346 GLY . 17502 1 34 347 ASN . 17502 1 35 348 ILE . 17502 1 36 349 PRO . 17502 1 37 350 HIS . 17502 1 38 351 PHE . 17502 1 39 352 ALA . 17502 1 40 353 THR . 17502 1 41 354 GLU . 17502 1 42 355 ALA . 17502 1 43 356 ASP . 17502 1 44 357 LEU . 17502 1 45 358 ILE . 17502 1 46 359 PRO . 17502 1 47 360 LEU . 17502 1 48 361 PHE . 17502 1 49 362 GLN . 17502 1 50 363 ASN . 17502 1 51 364 PHE . 17502 1 52 365 GLY . 17502 1 53 366 PHE . 17502 1 54 367 ILE . 17502 1 55 368 LEU . 17502 1 56 369 ASP . 17502 1 57 370 PHE . 17502 1 58 371 LYS . 17502 1 59 372 HIS . 17502 1 60 373 TYR . 17502 1 61 374 PRO . 17502 1 62 375 GLU . 17502 1 63 376 LYS . 17502 1 64 377 GLY . 17502 1 65 378 CYS . 17502 1 66 379 CYS . 17502 1 67 380 PHE . 17502 1 68 381 ILE . 17502 1 69 382 LYS . 17502 1 70 383 TYR . 17502 1 71 384 ASP . 17502 1 72 385 THR . 17502 1 73 386 HIS . 17502 1 74 387 GLU . 17502 1 75 388 GLN . 17502 1 76 389 ALA . 17502 1 77 390 ALA . 17502 1 78 391 VAL . 17502 1 79 392 CYS . 17502 1 80 393 ILE . 17502 1 81 394 VAL . 17502 1 82 395 ALA . 17502 1 83 396 LEU . 17502 1 84 397 ALA . 17502 1 85 398 ASN . 17502 1 86 399 PHE . 17502 1 87 400 PRO . 17502 1 88 401 PHE . 17502 1 89 402 GLN . 17502 1 90 403 GLY . 17502 1 91 404 ARG . 17502 1 92 405 ASN . 17502 1 93 406 LEU . 17502 1 94 407 ARG . 17502 1 95 408 THR . 17502 1 96 409 GLY . 17502 1 97 410 TRP . 17502 1 98 411 GLY . 17502 1 99 412 LYS . 17502 1 100 413 GLU . 17502 1 101 414 ARG . 17502 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 . GLY 1 1 17502 1 . SER 2 2 17502 1 . GLN 3 3 17502 1 . THR 4 4 17502 1 . ILE 5 5 17502 1 . GLY 6 6 17502 1 . LEU 7 7 17502 1 . PRO 8 8 17502 1 . PRO 9 9 17502 1 . GLN 10 10 17502 1 . VAL 11 11 17502 1 . ASN 12 12 17502 1 . PRO 13 13 17502 1 . GLN 14 14 17502 1 . ALA 15 15 17502 1 . VAL 16 16 17502 1 . ASP 17 17 17502 1 . HIS 18 18 17502 1 . ILE 19 19 17502 1 . ILE 20 20 17502 1 . ARG 21 21 17502 1 . SER 22 22 17502 1 . ALA 23 23 17502 1 . PRO 24 24 17502 1 . PRO 25 25 17502 1 . ARG 26 26 17502 1 . VAL 27 27 17502 1 . THR 28 28 17502 1 . THR 29 29 17502 1 . ALA 30 30 17502 1 . TYR 31 31 17502 1 . ILE 32 32 17502 1 . GLY 33 33 17502 1 . ASN 34 34 17502 1 . ILE 35 35 17502 1 . PRO 36 36 17502 1 . HIS 37 37 17502 1 . PHE 38 38 17502 1 . ALA 39 39 17502 1 . THR 40 40 17502 1 . GLU 41 41 17502 1 . ALA 42 42 17502 1 . ASP 43 43 17502 1 . LEU 44 44 17502 1 . ILE 45 45 17502 1 . PRO 46 46 17502 1 . LEU 47 47 17502 1 . PHE 48 48 17502 1 . GLN 49 49 17502 1 . ASN 50 50 17502 1 . PHE 51 51 17502 1 . GLY 52 52 17502 1 . PHE 53 53 17502 1 . ILE 54 54 17502 1 . LEU 55 55 17502 1 . ASP 56 56 17502 1 . PHE 57 57 17502 1 . LYS 58 58 17502 1 . HIS 59 59 17502 1 . TYR 60 60 17502 1 . PRO 61 61 17502 1 . GLU 62 62 17502 1 . LYS 63 63 17502 1 . GLY 64 64 17502 1 . CYS 65 65 17502 1 . CYS 66 66 17502 1 . PHE 67 67 17502 1 . ILE 68 68 17502 1 . LYS 69 69 17502 1 . TYR 70 70 17502 1 . ASP 71 71 17502 1 . THR 72 72 17502 1 . HIS 73 73 17502 1 . GLU 74 74 17502 1 . GLN 75 75 17502 1 . ALA 76 76 17502 1 . ALA 77 77 17502 1 . VAL 78 78 17502 1 . CYS 79 79 17502 1 . ILE 80 80 17502 1 . VAL 81 81 17502 1 . ALA 82 82 17502 1 . LEU 83 83 17502 1 . ALA 84 84 17502 1 . ASN 85 85 17502 1 . PHE 86 86 17502 1 . PRO 87 87 17502 1 . PHE 88 88 17502 1 . GLN 89 89 17502 1 . GLY 90 90 17502 1 . ARG 91 91 17502 1 . ASN 92 92 17502 1 . LEU 93 93 17502 1 . ARG 94 94 17502 1 . THR 95 95 17502 1 . GLY 96 96 17502 1 . TRP 97 97 17502 1 . GLY 98 98 17502 1 . LYS 99 99 17502 1 . GLU 100 100 17502 1 . ARG 101 101 17502 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17502 _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 $PUB1_RRM3 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . PUB1 . . . . 17502 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 17502 _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 $PUB1_RRM3 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI . . . . . . . . . . . . . VECTOR . . 'MODIFIED PET28' . . . . . . 17502 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17502 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3MM [U-100% 15N] PUB1P RRM3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PUB1 RRM3' '[U-99% 15N]' . . 1 $PUB1_RRM3 . . 0.3 . . mM . . . . 17502 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 17502 1 5 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 17502 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17502 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17502 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17502 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.01MM DSS' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PUB1 RRM3' 'natural abundance' . . 1 $PUB1_RRM3 . . 0.3 . . mM . . . . 17502 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 2 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 2 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 17502 2 5 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 17502 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17502 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17502 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17502 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PUB1 RRM3' 'natural abundance' . . 1 $PUB1_RRM3 . . 0.3 . . mM . . . . 17502 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 3 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 3 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 17502 3 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17502 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17502 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17502 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PUB1 RRM3' '[U-99% 13C; U-99% 15N]' . . 1 $PUB1_RRM3 . . 0.3 . . mM . . . . 17502 4 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 4 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 17502 4 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 17502 4 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17502 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17502 4 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17502 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17502 _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 pH 7.0 . pH 17502 1 pressure 1 . atm 17502 1 temperature 298 . K 17502 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17502 _Software.ID 1 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CORNILESCU, DELAGLIO' . . 17502 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17502 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17502 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17502 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17502 2 stop_ save_ save_CCPNMR_ANALYSIS _Software.Sf_category software _Software.Sf_framecode CCPNMR_ANALYSIS _Software.Entry_ID 17502 _Software.ID 3 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17502 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17502 3 'data analysis' 17502 3 'peak picking' 17502 3 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 17502 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17502 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17502 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17502 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17502 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17502 5 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 17502 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17502 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 17502 6 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 17502 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17502 _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 . 800 . 1 $citations 17502 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 17502 _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-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 2 '3D 1H-15N NOESY 2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 3 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 4 '3D HN(CA)CO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 5 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 6 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 8 '3D CBCANH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 9 '3D HC -TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17502 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 17502 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17502 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17502 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17502 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 17502 _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-1H NOESY' . . . 17502 1 3 '3D HNCO' . . . 17502 1 13 '2D 1H-15N HSQC' . . . 17502 1 14 '2D 1H-13C HSQC' . . . 17502 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 GLY HA2 H 1 3.895 0.000 . 2 . . . A 314 GLY HA2 . 17502 1 2 . 1 1 1 1 GLY C C 13 170.656 0.000 . 1 . . . A 314 GLY C . 17502 1 3 . 1 1 1 1 GLY CA C 13 43.406 0.045 . 1 . . . A 314 GLY CA . 17502 1 4 . 1 1 2 2 SER HA H 1 4.507 0.004 . 1 . . . A 315 SER HA . 17502 1 5 . 1 1 2 2 SER HB2 H 1 3.882 0.004 . 2 . . . A 315 SER HB2 . 17502 1 6 . 1 1 2 2 SER C C 13 174.518 0.000 . 1 . . . A 315 SER C . 17502 1 7 . 1 1 2 2 SER CA C 13 58.498 0.049 . 1 . . . A 315 SER CA . 17502 1 8 . 1 1 2 2 SER CB C 13 63.741 0.000 . 1 . . . A 315 SER CB . 17502 1 9 . 1 1 3 3 GLN HA H 1 4.456 0.003 . 1 . . . A 316 GLN HA . 17502 1 10 . 1 1 3 3 GLN HB2 H 1 2.147 0.001 . 2 . . . A 316 GLN HB2 . 17502 1 11 . 1 1 3 3 GLN HB3 H 1 2.020 0.004 . 2 . . . A 316 GLN HB3 . 17502 1 12 . 1 1 3 3 GLN HG2 H 1 2.392 0.002 . 2 . . . A 316 GLN HG2 . 17502 1 13 . 1 1 3 3 GLN HE21 H 1 7.587 0.002 . 1 . . . A 316 GLN HE21 . 17502 1 14 . 1 1 3 3 GLN HE22 H 1 6.895 0.002 . 1 . . . A 316 GLN HE22 . 17502 1 15 . 1 1 3 3 GLN CA C 13 55.734 0.000 . 1 . . . A 316 GLN CA . 17502 1 16 . 1 1 3 3 GLN CB C 13 29.429 0.020 . 1 . . . A 316 GLN CB . 17502 1 17 . 1 1 3 3 GLN CG C 13 33.795 0.039 . 1 . . . A 316 GLN CG . 17502 1 18 . 1 1 3 3 GLN CD C 13 180.578 0.000 . 1 . . . A 316 GLN CD . 17502 1 19 . 1 1 3 3 GLN NE2 N 15 112.485 0.001 . 1 . . . A 316 GLN NE2 . 17502 1 20 . 1 1 4 4 THR H H 1 8.357 0.002 . 1 . . . A 317 THR H . 17502 1 21 . 1 1 4 4 THR HA H 1 4.348 0.001 . 1 . . . A 317 THR HA . 17502 1 22 . 1 1 4 4 THR HB H 1 4.174 0.003 . 1 . . . A 317 THR HB . 17502 1 23 . 1 1 4 4 THR HG21 H 1 1.207 0.001 . 1 . . . A 317 THR HG21 . 17502 1 24 . 1 1 4 4 THR HG22 H 1 1.207 0.001 . 1 . . . A 317 THR HG22 . 17502 1 25 . 1 1 4 4 THR HG23 H 1 1.207 0.001 . 1 . . . A 317 THR HG23 . 17502 1 26 . 1 1 4 4 THR C C 13 174.399 0.000 . 1 . . . A 317 THR C . 17502 1 27 . 1 1 4 4 THR CA C 13 62.047 0.053 . 1 . . . A 317 THR CA . 17502 1 28 . 1 1 4 4 THR CB C 13 69.644 0.000 . 1 . . . A 317 THR CB . 17502 1 29 . 1 1 4 4 THR CG2 C 13 21.619 0.000 . 1 . . . A 317 THR CG2 . 17502 1 30 . 1 1 4 4 THR N N 15 116.720 0.000 . 1 . . . A 317 THR N . 17502 1 31 . 1 1 5 5 ILE H H 1 8.281 0.001 . 1 . . . A 318 ILE H . 17502 1 32 . 1 1 5 5 ILE HA H 1 4.222 0.003 . 1 . . . A 318 ILE HA . 17502 1 33 . 1 1 5 5 ILE HB H 1 1.900 0.002 . 1 . . . A 318 ILE HB . 17502 1 34 . 1 1 5 5 ILE HG12 H 1 1.526 0.001 . 2 . . . A 318 ILE HG12 . 17502 1 35 . 1 1 5 5 ILE HG13 H 1 1.208 0.003 . 2 . . . A 318 ILE HG13 . 17502 1 36 . 1 1 5 5 ILE HG21 H 1 0.970 0.002 . 1 . . . A 318 ILE HG21 . 17502 1 37 . 1 1 5 5 ILE HG22 H 1 0.970 0.002 . 1 . . . A 318 ILE HG22 . 17502 1 38 . 1 1 5 5 ILE HG23 H 1 0.970 0.002 . 1 . . . A 318 ILE HG23 . 17502 1 39 . 1 1 5 5 ILE HD11 H 1 0.865 0.003 . 1 . . . A 318 ILE HD11 . 17502 1 40 . 1 1 5 5 ILE HD12 H 1 0.865 0.003 . 1 . . . A 318 ILE HD12 . 17502 1 41 . 1 1 5 5 ILE HD13 H 1 0.865 0.003 . 1 . . . A 318 ILE HD13 . 17502 1 42 . 1 1 5 5 ILE C C 13 176.311 0.000 . 1 . . . A 318 ILE C . 17502 1 43 . 1 1 5 5 ILE CA C 13 61.155 0.019 . 1 . . . A 318 ILE CA . 17502 1 44 . 1 1 5 5 ILE CB C 13 38.828 0.000 . 1 . . . A 318 ILE CB . 17502 1 45 . 1 1 5 5 ILE CG1 C 13 27.317 0.013 . 1 . . . A 318 ILE CG1 . 17502 1 46 . 1 1 5 5 ILE CG2 C 13 17.479 0.000 . 1 . . . A 318 ILE CG2 . 17502 1 47 . 1 1 5 5 ILE CD1 C 13 12.974 0.000 . 1 . . . A 318 ILE CD1 . 17502 1 48 . 1 1 5 5 ILE N N 15 124.127 0.000 . 1 . . . A 318 ILE N . 17502 1 49 . 1 1 6 6 GLY H H 1 8.510 0.003 . 1 . . . A 319 GLY H . 17502 1 50 . 1 1 6 6 GLY HA2 H 1 4.029 0.003 . 2 . . . A 319 GLY HA2 . 17502 1 51 . 1 1 6 6 GLY HA3 H 1 3.927 0.002 . 2 . . . A 319 GLY HA3 . 17502 1 52 . 1 1 6 6 GLY C C 13 173.456 0.000 . 1 . . . A 319 GLY C . 17502 1 53 . 1 1 6 6 GLY CA C 13 44.921 0.003 . 1 . . . A 319 GLY CA . 17502 1 54 . 1 1 6 6 GLY N N 15 113.001 0.000 . 1 . . . A 319 GLY N . 17502 1 55 . 1 1 7 7 LEU H H 1 8.153 0.002 . 1 . . . A 320 LEU H . 17502 1 56 . 1 1 7 7 LEU HA H 1 4.673 0.002 . 1 . . . A 320 LEU HA . 17502 1 57 . 1 1 7 7 LEU HB2 H 1 1.624 0.001 . 2 . . . A 320 LEU HB2 . 17502 1 58 . 1 1 7 7 LEU HB3 H 1 1.510 0.002 . 2 . . . A 320 LEU HB3 . 17502 1 59 . 1 1 7 7 LEU HG H 1 1.686 0.001 . 1 . . . A 320 LEU HG . 17502 1 60 . 1 1 7 7 LEU HD11 H 1 0.918 0.001 . 2 . . . A 320 LEU HD11 . 17502 1 61 . 1 1 7 7 LEU HD12 H 1 0.918 0.001 . 2 . . . A 320 LEU HD12 . 17502 1 62 . 1 1 7 7 LEU HD13 H 1 0.918 0.001 . 2 . . . A 320 LEU HD13 . 17502 1 63 . 1 1 7 7 LEU HD21 H 1 0.887 0.001 . 2 . . . A 320 LEU HD21 . 17502 1 64 . 1 1 7 7 LEU HD22 H 1 0.887 0.001 . 2 . . . A 320 LEU HD22 . 17502 1 65 . 1 1 7 7 LEU HD23 H 1 0.887 0.001 . 2 . . . A 320 LEU HD23 . 17502 1 66 . 1 1 7 7 LEU C C 13 175.067 0.000 . 1 . . . A 320 LEU C . 17502 1 67 . 1 1 7 7 LEU CA C 13 52.742 0.033 . 1 . . . A 320 LEU CA . 17502 1 68 . 1 1 7 7 LEU CB C 13 41.957 0.002 . 1 . . . A 320 LEU CB . 17502 1 69 . 1 1 7 7 LEU CG C 13 27.012 0.000 . 1 . . . A 320 LEU CG . 17502 1 70 . 1 1 7 7 LEU CD1 C 13 25.314 0.000 . 2 . . . A 320 LEU CD1 . 17502 1 71 . 1 1 7 7 LEU CD2 C 13 23.623 0.000 . 2 . . . A 320 LEU CD2 . 17502 1 72 . 1 1 7 7 LEU N N 15 122.312 0.000 . 1 . . . A 320 LEU N . 17502 1 73 . 1 1 8 8 PRO HA H 1 4.718 0.002 . 1 . . . A 321 PRO HA . 17502 1 74 . 1 1 8 8 PRO HB2 H 1 2.303 0.004 . 2 . . . A 321 PRO HB2 . 17502 1 75 . 1 1 8 8 PRO HB3 H 1 1.930 0.002 . 2 . . . A 321 PRO HB3 . 17502 1 76 . 1 1 8 8 PRO HG2 H 1 2.013 0.003 . 2 . . . A 321 PRO HG2 . 17502 1 77 . 1 1 8 8 PRO HG3 H 1 1.909 0.002 . 2 . . . A 321 PRO HG3 . 17502 1 78 . 1 1 8 8 PRO HD2 H 1 3.864 0.002 . 2 . . . A 321 PRO HD2 . 17502 1 79 . 1 1 8 8 PRO HD3 H 1 3.534 0.002 . 2 . . . A 321 PRO HD3 . 17502 1 80 . 1 1 8 8 PRO C C 13 174.606 0.000 . 1 . . . A 321 PRO C . 17502 1 81 . 1 1 8 8 PRO CA C 13 61.475 0.008 . 1 . . . A 321 PRO CA . 17502 1 82 . 1 1 8 8 PRO CB C 13 30.816 0.013 . 1 . . . A 321 PRO CB . 17502 1 83 . 1 1 8 8 PRO CG C 13 27.694 0.001 . 1 . . . A 321 PRO CG . 17502 1 84 . 1 1 8 8 PRO CD C 13 50.295 0.005 . 1 . . . A 321 PRO CD . 17502 1 85 . 1 1 9 9 PRO HA H 1 4.465 0.002 . 1 . . . A 322 PRO HA . 17502 1 86 . 1 1 9 9 PRO HB2 H 1 2.369 0.003 . 2 . . . A 322 PRO HB2 . 17502 1 87 . 1 1 9 9 PRO HB3 H 1 1.990 0.002 . 2 . . . A 322 PRO HB3 . 17502 1 88 . 1 1 9 9 PRO HG2 H 1 2.090 0.001 . 2 . . . A 322 PRO HG2 . 17502 1 89 . 1 1 9 9 PRO HD2 H 1 3.856 0.001 . 2 . . . A 322 PRO HD2 . 17502 1 90 . 1 1 9 9 PRO HD3 H 1 3.726 0.001 . 2 . . . A 322 PRO HD3 . 17502 1 91 . 1 1 9 9 PRO C C 13 176.617 0.000 . 1 . . . A 322 PRO C . 17502 1 92 . 1 1 9 9 PRO CA C 13 63.286 0.026 . 1 . . . A 322 PRO CA . 17502 1 93 . 1 1 9 9 PRO CB C 13 32.090 0.019 . 1 . . . A 322 PRO CB . 17502 1 94 . 1 1 9 9 PRO CG C 13 27.527 0.000 . 1 . . . A 322 PRO CG . 17502 1 95 . 1 1 9 9 PRO CD C 13 50.496 0.003 . 1 . . . A 322 PRO CD . 17502 1 96 . 1 1 10 10 GLN H H 1 8.477 0.001 . 1 . . . A 323 GLN H . 17502 1 97 . 1 1 10 10 GLN HA H 1 4.349 0.002 . 1 . . . A 323 GLN HA . 17502 1 98 . 1 1 10 10 GLN HB2 H 1 2.121 0.000 . 2 . . . A 323 GLN HB2 . 17502 1 99 . 1 1 10 10 GLN HB3 H 1 2.085 0.005 . 2 . . . A 323 GLN HB3 . 17502 1 100 . 1 1 10 10 GLN HG2 H 1 2.471 0.003 . 2 . . . A 323 GLN HG2 . 17502 1 101 . 1 1 10 10 GLN HG3 H 1 2.406 0.003 . 2 . . . A 323 GLN HG3 . 17502 1 102 . 1 1 10 10 GLN HE21 H 1 7.708 0.002 . 1 . . . A 323 GLN HE21 . 17502 1 103 . 1 1 10 10 GLN HE22 H 1 7.020 0.001 . 1 . . . A 323 GLN HE22 . 17502 1 104 . 1 1 10 10 GLN CA C 13 55.818 0.000 . 1 . . . A 323 GLN CA . 17502 1 105 . 1 1 10 10 GLN CB C 13 28.988 0.007 . 1 . . . A 323 GLN CB . 17502 1 106 . 1 1 10 10 GLN CG C 13 33.755 0.015 . 1 . . . A 323 GLN CG . 17502 1 107 . 1 1 10 10 GLN CD C 13 180.854 0.000 . 1 . . . A 323 GLN CD . 17502 1 108 . 1 1 10 10 GLN N N 15 118.356 0.000 . 1 . . . A 323 GLN N . 17502 1 109 . 1 1 10 10 GLN NE2 N 15 112.845 0.001 . 1 . . . A 323 GLN NE2 . 17502 1 110 . 1 1 11 11 VAL H H 1 8.093 0.001 . 1 . . . A 324 VAL H . 17502 1 111 . 1 1 11 11 VAL HA H 1 4.183 0.003 . 1 . . . A 324 VAL HA . 17502 1 112 . 1 1 11 11 VAL HB H 1 2.014 0.001 . 1 . . . A 324 VAL HB . 17502 1 113 . 1 1 11 11 VAL HG11 H 1 0.879 0.001 . 2 . . . A 324 VAL HG11 . 17502 1 114 . 1 1 11 11 VAL HG12 H 1 0.879 0.001 . 2 . . . A 324 VAL HG12 . 17502 1 115 . 1 1 11 11 VAL HG13 H 1 0.879 0.001 . 2 . . . A 324 VAL HG13 . 17502 1 116 . 1 1 11 11 VAL HG21 H 1 0.919 0.004 . 2 . . . A 324 VAL HG21 . 17502 1 117 . 1 1 11 11 VAL HG22 H 1 0.919 0.004 . 2 . . . A 324 VAL HG22 . 17502 1 118 . 1 1 11 11 VAL HG23 H 1 0.919 0.004 . 2 . . . A 324 VAL HG23 . 17502 1 119 . 1 1 11 11 VAL C C 13 174.896 0.000 . 1 . . . A 324 VAL C . 17502 1 120 . 1 1 11 11 VAL CA C 13 61.195 0.057 . 1 . . . A 324 VAL CA . 17502 1 121 . 1 1 11 11 VAL CB C 13 33.061 0.000 . 1 . . . A 324 VAL CB . 17502 1 122 . 1 1 11 11 VAL CG1 C 13 22.083 0.000 . 2 . . . A 324 VAL CG1 . 17502 1 123 . 1 1 11 11 VAL CG2 C 13 20.483 0.000 . 2 . . . A 324 VAL CG2 . 17502 1 124 . 1 1 11 11 VAL N N 15 119.600 0.000 . 1 . . . A 324 VAL N . 17502 1 125 . 1 1 12 12 ASN H H 1 8.481 0.002 . 1 . . . A 325 ASN H . 17502 1 126 . 1 1 12 12 ASN HA H 1 4.996 0.002 . 1 . . . A 325 ASN HA . 17502 1 127 . 1 1 12 12 ASN HB2 H 1 2.912 0.002 . 2 . . . A 325 ASN HB2 . 17502 1 128 . 1 1 12 12 ASN HD21 H 1 7.917 0.001 . 1 . . . A 325 ASN HD21 . 17502 1 129 . 1 1 12 12 ASN HD22 H 1 7.215 0.001 . 1 . . . A 325 ASN HD22 . 17502 1 130 . 1 1 12 12 ASN C C 13 174.427 0.000 . 1 . . . A 325 ASN C . 17502 1 131 . 1 1 12 12 ASN CA C 13 51.033 0.046 . 1 . . . A 325 ASN CA . 17502 1 132 . 1 1 12 12 ASN CB C 13 39.252 0.061 . 1 . . . A 325 ASN CB . 17502 1 133 . 1 1 12 12 ASN CG C 13 176.906 0.000 . 1 . . . A 325 ASN CG . 17502 1 134 . 1 1 12 12 ASN N N 15 124.891 0.000 . 1 . . . A 325 ASN N . 17502 1 135 . 1 1 12 12 ASN ND2 N 15 113.931 0.001 . 1 . . . A 325 ASN ND2 . 17502 1 136 . 1 1 13 13 PRO HA H 1 4.229 0.001 . 1 . . . A 326 PRO HA . 17502 1 137 . 1 1 13 13 PRO HB2 H 1 2.413 0.003 . 2 . . . A 326 PRO HB2 . 17502 1 138 . 1 1 13 13 PRO HB3 H 1 2.050 0.003 . 2 . . . A 326 PRO HB3 . 17502 1 139 . 1 1 13 13 PRO HG2 H 1 2.171 0.003 . 2 . . . A 326 PRO HG2 . 17502 1 140 . 1 1 13 13 PRO HG3 H 1 2.104 0.005 . 2 . . . A 326 PRO HG3 . 17502 1 141 . 1 1 13 13 PRO HD2 H 1 4.129 0.001 . 2 . . . A 326 PRO HD2 . 17502 1 142 . 1 1 13 13 PRO HD3 H 1 3.928 0.001 . 2 . . . A 326 PRO HD3 . 17502 1 143 . 1 1 13 13 PRO C C 13 178.920 0.000 . 1 . . . A 326 PRO C . 17502 1 144 . 1 1 13 13 PRO CA C 13 65.175 0.003 . 1 . . . A 326 PRO CA . 17502 1 145 . 1 1 13 13 PRO CB C 13 32.167 0.012 . 1 . . . A 326 PRO CB . 17502 1 146 . 1 1 13 13 PRO CG C 13 27.679 0.009 . 1 . . . A 326 PRO CG . 17502 1 147 . 1 1 13 13 PRO CD C 13 51.267 0.008 . 1 . . . A 326 PRO CD . 17502 1 148 . 1 1 14 14 GLN H H 1 8.180 0.001 . 1 . . . A 327 GLN H . 17502 1 149 . 1 1 14 14 GLN HA H 1 4.206 0.002 . 1 . . . A 327 GLN HA . 17502 1 150 . 1 1 14 14 GLN HB2 H 1 2.178 0.002 . 2 . . . A 327 GLN HB2 . 17502 1 151 . 1 1 14 14 GLN HB3 H 1 2.104 0.004 . 2 . . . A 327 GLN HB3 . 17502 1 152 . 1 1 14 14 GLN HG2 H 1 2.470 0.003 . 2 . . . A 327 GLN HG2 . 17502 1 153 . 1 1 14 14 GLN HE21 H 1 7.633 0.001 . 1 . . . A 327 GLN HE21 . 17502 1 154 . 1 1 14 14 GLN HE22 H 1 6.954 0.002 . 1 . . . A 327 GLN HE22 . 17502 1 155 . 1 1 14 14 GLN C C 13 178.401 0.000 . 1 . . . A 327 GLN C . 17502 1 156 . 1 1 14 14 GLN CA C 13 58.858 0.058 . 1 . . . A 327 GLN CA . 17502 1 157 . 1 1 14 14 GLN CB C 13 28.212 0.024 . 1 . . . A 327 GLN CB . 17502 1 158 . 1 1 14 14 GLN CG C 13 34.631 0.048 . 1 . . . A 327 GLN CG . 17502 1 159 . 1 1 14 14 GLN CD C 13 180.588 0.000 . 1 . . . A 327 GLN CD . 17502 1 160 . 1 1 14 14 GLN N N 15 117.966 0.000 . 1 . . . A 327 GLN N . 17502 1 161 . 1 1 14 14 GLN NE2 N 15 112.600 0.001 . 1 . . . A 327 GLN NE2 . 17502 1 162 . 1 1 15 15 ALA H H 1 7.762 0.001 . 1 . . . A 328 ALA H . 17502 1 163 . 1 1 15 15 ALA HA H 1 4.286 0.002 . 1 . . . A 328 ALA HA . 17502 1 164 . 1 1 15 15 ALA HB1 H 1 1.594 0.001 . 1 . . . A 328 ALA HB1 . 17502 1 165 . 1 1 15 15 ALA HB2 H 1 1.594 0.001 . 1 . . . A 328 ALA HB2 . 17502 1 166 . 1 1 15 15 ALA HB3 H 1 1.594 0.001 . 1 . . . A 328 ALA HB3 . 17502 1 167 . 1 1 15 15 ALA C C 13 180.177 0.000 . 1 . . . A 328 ALA C . 17502 1 168 . 1 1 15 15 ALA CA C 13 54.502 0.071 . 1 . . . A 328 ALA CA . 17502 1 169 . 1 1 15 15 ALA CB C 13 18.691 0.000 . 1 . . . A 328 ALA CB . 17502 1 170 . 1 1 15 15 ALA N N 15 123.377 0.000 . 1 . . . A 328 ALA N . 17502 1 171 . 1 1 16 16 VAL H H 1 7.713 0.001 . 1 . . . A 329 VAL H . 17502 1 172 . 1 1 16 16 VAL HA H 1 3.582 0.001 . 1 . . . A 329 VAL HA . 17502 1 173 . 1 1 16 16 VAL HB H 1 2.155 0.001 . 1 . . . A 329 VAL HB . 17502 1 174 . 1 1 16 16 VAL HG11 H 1 0.962 0.002 . 2 . . . A 329 VAL HG11 . 17502 1 175 . 1 1 16 16 VAL HG12 H 1 0.962 0.002 . 2 . . . A 329 VAL HG12 . 17502 1 176 . 1 1 16 16 VAL HG13 H 1 0.962 0.002 . 2 . . . A 329 VAL HG13 . 17502 1 177 . 1 1 16 16 VAL HG21 H 1 0.931 0.002 . 2 . . . A 329 VAL HG21 . 17502 1 178 . 1 1 16 16 VAL HG22 H 1 0.931 0.002 . 2 . . . A 329 VAL HG22 . 17502 1 179 . 1 1 16 16 VAL HG23 H 1 0.931 0.002 . 2 . . . A 329 VAL HG23 . 17502 1 180 . 1 1 16 16 VAL C C 13 177.281 0.000 . 1 . . . A 329 VAL C . 17502 1 181 . 1 1 16 16 VAL CA C 13 66.285 0.007 . 1 . . . A 329 VAL CA . 17502 1 182 . 1 1 16 16 VAL CB C 13 31.729 0.000 . 1 . . . A 329 VAL CB . 17502 1 183 . 1 1 16 16 VAL CG1 C 13 23.362 0.000 . 2 . . . A 329 VAL CG1 . 17502 1 184 . 1 1 16 16 VAL CG2 C 13 21.601 0.000 . 2 . . . A 329 VAL CG2 . 17502 1 185 . 1 1 16 16 VAL N N 15 117.692 0.000 . 1 . . . A 329 VAL N . 17502 1 186 . 1 1 17 17 ASP H H 1 8.058 0.001 . 1 . . . A 330 ASP H . 17502 1 187 . 1 1 17 17 ASP HA H 1 4.428 0.003 . 1 . . . A 330 ASP HA . 17502 1 188 . 1 1 17 17 ASP HB2 H 1 2.793 0.002 . 2 . . . A 330 ASP HB2 . 17502 1 189 . 1 1 17 17 ASP HB3 H 1 2.724 0.001 . 2 . . . A 330 ASP HB3 . 17502 1 190 . 1 1 17 17 ASP C C 13 177.600 0.000 . 1 . . . A 330 ASP C . 17502 1 191 . 1 1 17 17 ASP CA C 13 57.937 0.005 . 1 . . . A 330 ASP CA . 17502 1 192 . 1 1 17 17 ASP CB C 13 41.489 0.004 . 1 . . . A 330 ASP CB . 17502 1 193 . 1 1 17 17 ASP CG C 13 179.279 0.000 . 1 . . . A 330 ASP CG . 17502 1 194 . 1 1 17 17 ASP N N 15 120.270 0.000 . 1 . . . A 330 ASP N . 17502 1 195 . 1 1 18 18 HIS H H 1 7.782 0.001 . 1 . . . A 331 HIS H . 17502 1 196 . 1 1 18 18 HIS HA H 1 4.376 0.001 . 1 . . . A 331 HIS HA . 17502 1 197 . 1 1 18 18 HIS HB2 H 1 3.291 0.003 . 2 . . . A 331 HIS HB2 . 17502 1 198 . 1 1 18 18 HIS HD2 H 1 7.053 0.002 . 1 . . . A 331 HIS HD2 . 17502 1 199 . 1 1 18 18 HIS CA C 13 59.347 0.000 . 1 . . . A 331 HIS CA . 17502 1 200 . 1 1 18 18 HIS CB C 13 30.288 0.000 . 1 . . . A 331 HIS CB . 17502 1 201 . 1 1 18 18 HIS CD2 C 13 119.788 0.000 . 1 . . . A 331 HIS CD2 . 17502 1 202 . 1 1 18 18 HIS N N 15 116.537 0.000 . 1 . . . A 331 HIS N . 17502 1 203 . 1 1 19 19 ILE H H 1 7.889 0.001 . 1 . . . A 332 ILE H . 17502 1 204 . 1 1 19 19 ILE HA H 1 4.192 0.001 . 1 . . . A 332 ILE HA . 17502 1 205 . 1 1 19 19 ILE HB H 1 2.179 0.002 . 1 . . . A 332 ILE HB . 17502 1 206 . 1 1 19 19 ILE HG12 H 1 1.729 0.001 . 2 . . . A 332 ILE HG12 . 17502 1 207 . 1 1 19 19 ILE HG13 H 1 1.283 0.001 . 2 . . . A 332 ILE HG13 . 17502 1 208 . 1 1 19 19 ILE HG21 H 1 0.851 0.002 . 1 . . . A 332 ILE HG21 . 17502 1 209 . 1 1 19 19 ILE HG22 H 1 0.851 0.002 . 1 . . . A 332 ILE HG22 . 17502 1 210 . 1 1 19 19 ILE HG23 H 1 0.851 0.002 . 1 . . . A 332 ILE HG23 . 17502 1 211 . 1 1 19 19 ILE HD11 H 1 0.768 0.001 . 1 . . . A 332 ILE HD11 . 17502 1 212 . 1 1 19 19 ILE HD12 H 1 0.768 0.001 . 1 . . . A 332 ILE HD12 . 17502 1 213 . 1 1 19 19 ILE HD13 H 1 0.768 0.001 . 1 . . . A 332 ILE HD13 . 17502 1 214 . 1 1 19 19 ILE CA C 13 61.132 0.000 . 1 . . . A 332 ILE CA . 17502 1 215 . 1 1 19 19 ILE CB C 13 36.207 0.000 . 1 . . . A 332 ILE CB . 17502 1 216 . 1 1 19 19 ILE CG1 C 13 27.551 0.037 . 1 . . . A 332 ILE CG1 . 17502 1 217 . 1 1 19 19 ILE CG2 C 13 18.206 0.000 . 1 . . . A 332 ILE CG2 . 17502 1 218 . 1 1 19 19 ILE CD1 C 13 9.008 0.000 . 1 . . . A 332 ILE CD1 . 17502 1 219 . 1 1 19 19 ILE N N 15 120.199 0.000 . 1 . . . A 332 ILE N . 17502 1 220 . 1 1 20 20 ILE H H 1 9.335 0.002 . 1 . . . A 333 ILE H . 17502 1 221 . 1 1 20 20 ILE HA H 1 3.807 0.001 . 1 . . . A 333 ILE HA . 17502 1 222 . 1 1 20 20 ILE HB H 1 2.362 0.002 . 1 . . . A 333 ILE HB . 17502 1 223 . 1 1 20 20 ILE HG12 H 1 1.886 0.002 . 2 . . . A 333 ILE HG12 . 17502 1 224 . 1 1 20 20 ILE HG13 H 1 1.078 0.002 . 2 . . . A 333 ILE HG13 . 17502 1 225 . 1 1 20 20 ILE HG21 H 1 1.159 0.001 . 1 . . . A 333 ILE HG21 . 17502 1 226 . 1 1 20 20 ILE HG22 H 1 1.159 0.001 . 1 . . . A 333 ILE HG22 . 17502 1 227 . 1 1 20 20 ILE HG23 H 1 1.159 0.001 . 1 . . . A 333 ILE HG23 . 17502 1 228 . 1 1 20 20 ILE HD11 H 1 1.037 0.002 . 1 . . . A 333 ILE HD11 . 17502 1 229 . 1 1 20 20 ILE HD12 H 1 1.037 0.002 . 1 . . . A 333 ILE HD12 . 17502 1 230 . 1 1 20 20 ILE HD13 H 1 1.037 0.002 . 1 . . . A 333 ILE HD13 . 17502 1 231 . 1 1 20 20 ILE C C 13 178.652 0.000 . 1 . . . A 333 ILE C . 17502 1 232 . 1 1 20 20 ILE CA C 13 66.020 0.042 . 1 . . . A 333 ILE CA . 17502 1 233 . 1 1 20 20 ILE CB C 13 37.704 0.000 . 1 . . . A 333 ILE CB . 17502 1 234 . 1 1 20 20 ILE CG1 C 13 31.465 0.010 . 1 . . . A 333 ILE CG1 . 17502 1 235 . 1 1 20 20 ILE CG2 C 13 17.449 0.000 . 1 . . . A 333 ILE CG2 . 17502 1 236 . 1 1 20 20 ILE CD1 C 13 14.345 0.000 . 1 . . . A 333 ILE CD1 . 17502 1 237 . 1 1 20 20 ILE N N 15 123.939 0.000 . 1 . . . A 333 ILE N . 17502 1 238 . 1 1 21 21 ARG H H 1 7.749 0.002 . 1 . . . A 334 ARG H . 17502 1 239 . 1 1 21 21 ARG HA H 1 4.527 0.001 . 1 . . . A 334 ARG HA . 17502 1 240 . 1 1 21 21 ARG HB2 H 1 2.071 0.001 . 2 . . . A 334 ARG HB2 . 17502 1 241 . 1 1 21 21 ARG HB3 H 1 1.862 0.001 . 2 . . . A 334 ARG HB3 . 17502 1 242 . 1 1 21 21 ARG HG2 H 1 1.765 0.002 . 2 . . . A 334 ARG HG2 . 17502 1 243 . 1 1 21 21 ARG HD2 H 1 3.279 0.002 . 2 . . . A 334 ARG HD2 . 17502 1 244 . 1 1 21 21 ARG HD3 H 1 3.179 0.001 . 2 . . . A 334 ARG HD3 . 17502 1 245 . 1 1 21 21 ARG C C 13 176.904 0.000 . 1 . . . A 334 ARG C . 17502 1 246 . 1 1 21 21 ARG CA C 13 57.167 0.037 . 1 . . . A 334 ARG CA . 17502 1 247 . 1 1 21 21 ARG CB C 13 30.531 0.000 . 1 . . . A 334 ARG CB . 17502 1 248 . 1 1 21 21 ARG CG C 13 28.600 0.000 . 1 . . . A 334 ARG CG . 17502 1 249 . 1 1 21 21 ARG CD C 13 43.292 0.002 . 1 . . . A 334 ARG CD . 17502 1 250 . 1 1 21 21 ARG N N 15 116.547 0.000 . 1 . . . A 334 ARG N . 17502 1 251 . 1 1 22 22 SER H H 1 7.952 0.001 . 1 . . . A 335 SER H . 17502 1 252 . 1 1 22 22 SER HA H 1 4.500 0.002 . 1 . . . A 335 SER HA . 17502 1 253 . 1 1 22 22 SER HB2 H 1 4.105 0.002 . 2 . . . A 335 SER HB2 . 17502 1 254 . 1 1 22 22 SER HB3 H 1 4.285 0.002 . 2 . . . A 335 SER HB3 . 17502 1 255 . 1 1 22 22 SER C C 13 172.220 0.000 . 1 . . . A 335 SER C . 17502 1 256 . 1 1 22 22 SER CA C 13 59.428 0.043 . 1 . . . A 335 SER CA . 17502 1 257 . 1 1 22 22 SER CB C 13 63.803 0.015 . 1 . . . A 335 SER CB . 17502 1 258 . 1 1 22 22 SER N N 15 114.538 0.000 . 1 . . . A 335 SER N . 17502 1 259 . 1 1 23 23 ALA H H 1 7.355 0.002 . 1 . . . A 336 ALA H . 17502 1 260 . 1 1 23 23 ALA HA H 1 4.398 0.005 . 1 . . . A 336 ALA HA . 17502 1 261 . 1 1 23 23 ALA HB1 H 1 -0.013 0.001 . 1 . . . A 336 ALA HB1 . 17502 1 262 . 1 1 23 23 ALA HB2 H 1 -0.013 0.001 . 1 . . . A 336 ALA HB2 . 17502 1 263 . 1 1 23 23 ALA HB3 H 1 -0.013 0.001 . 1 . . . A 336 ALA HB3 . 17502 1 264 . 1 1 23 23 ALA C C 13 173.321 0.000 . 1 . . . A 336 ALA C . 17502 1 265 . 1 1 23 23 ALA CA C 13 49.814 0.005 . 1 . . . A 336 ALA CA . 17502 1 266 . 1 1 23 23 ALA CB C 13 16.937 0.000 . 1 . . . A 336 ALA CB . 17502 1 267 . 1 1 23 23 ALA N N 15 122.734 0.000 . 1 . . . A 336 ALA N . 17502 1 268 . 1 1 24 24 PRO HA H 1 4.527 0.001 . 1 . . . A 337 PRO HA . 17502 1 269 . 1 1 24 24 PRO HB2 H 1 2.418 0.002 . 2 . . . A 337 PRO HB2 . 17502 1 270 . 1 1 24 24 PRO HB3 H 1 1.776 0.003 . 2 . . . A 337 PRO HB3 . 17502 1 271 . 1 1 24 24 PRO HG2 H 1 1.969 0.002 . 2 . . . A 337 PRO HG2 . 17502 1 272 . 1 1 24 24 PRO HD2 H 1 3.652 0.004 . 2 . . . A 337 PRO HD2 . 17502 1 273 . 1 1 24 24 PRO HD3 H 1 3.304 0.002 . 2 . . . A 337 PRO HD3 . 17502 1 274 . 1 1 24 24 PRO C C 13 174.970 0.000 . 1 . . . A 337 PRO C . 17502 1 275 . 1 1 24 24 PRO CA C 13 61.341 0.011 . 1 . . . A 337 PRO CA . 17502 1 276 . 1 1 24 24 PRO CB C 13 31.511 0.021 . 1 . . . A 337 PRO CB . 17502 1 277 . 1 1 24 24 PRO CG C 13 27.491 0.000 . 1 . . . A 337 PRO CG . 17502 1 278 . 1 1 24 24 PRO CD C 13 50.319 0.034 . 1 . . . A 337 PRO CD . 17502 1 279 . 1 1 25 25 PRO HA H 1 2.671 0.002 . 1 . . . A 338 PRO HA . 17502 1 280 . 1 1 25 25 PRO HB2 H 1 2.126 0.002 . 2 . . . A 338 PRO HB2 . 17502 1 281 . 1 1 25 25 PRO HB3 H 1 1.771 0.002 . 2 . . . A 338 PRO HB3 . 17502 1 282 . 1 1 25 25 PRO HG2 H 1 1.975 0.002 . 2 . . . A 338 PRO HG2 . 17502 1 283 . 1 1 25 25 PRO HG3 H 1 1.878 0.001 . 2 . . . A 338 PRO HG3 . 17502 1 284 . 1 1 25 25 PRO HD2 H 1 3.754 0.001 . 2 . . . A 338 PRO HD2 . 17502 1 285 . 1 1 25 25 PRO HD3 H 1 3.637 0.001 . 2 . . . A 338 PRO HD3 . 17502 1 286 . 1 1 25 25 PRO CA C 13 64.510 0.000 . 1 . . . A 338 PRO CA . 17502 1 287 . 1 1 25 25 PRO CB C 13 31.902 0.000 . 1 . . . A 338 PRO CB . 17502 1 288 . 1 1 25 25 PRO CG C 13 27.370 0.003 . 1 . . . A 338 PRO CG . 17502 1 289 . 1 1 25 25 PRO CD C 13 50.440 0.010 . 1 . . . A 338 PRO CD . 17502 1 290 . 1 1 26 26 ARG H H 1 7.648 0.004 . 1 . . . A 339 ARG H . 17502 1 291 . 1 1 26 26 ARG HA H 1 4.157 0.003 . 1 . . . A 339 ARG HA . 17502 1 292 . 1 1 26 26 ARG HB2 H 1 1.801 0.000 . 2 . . . A 339 ARG HB2 . 17502 1 293 . 1 1 26 26 ARG HB3 H 1 1.865 0.004 . 2 . . . A 339 ARG HB3 . 17502 1 294 . 1 1 26 26 ARG HG2 H 1 1.509 0.005 . 2 . . . A 339 ARG HG2 . 17502 1 295 . 1 1 26 26 ARG HG3 H 1 1.474 0.000 . 2 . . . A 339 ARG HG3 . 17502 1 296 . 1 1 26 26 ARG HD2 H 1 3.173 0.001 . 2 . . . A 339 ARG HD2 . 17502 1 297 . 1 1 26 26 ARG CA C 13 56.729 0.000 . 1 . . . A 339 ARG CA . 17502 1 298 . 1 1 26 26 ARG CB C 13 29.344 0.001 . 1 . . . A 339 ARG CB . 17502 1 299 . 1 1 26 26 ARG CG C 13 27.190 0.004 . 1 . . . A 339 ARG CG . 17502 1 300 . 1 1 26 26 ARG CD C 13 43.055 0.000 . 1 . . . A 339 ARG CD . 17502 1 301 . 1 1 26 26 ARG N N 15 111.837 0.000 . 1 . . . A 339 ARG N . 17502 1 302 . 1 1 27 27 VAL H H 1 7.862 0.001 . 1 . . . A 340 VAL H . 17502 1 303 . 1 1 27 27 VAL HA H 1 4.110 0.002 . 1 . . . A 340 VAL HA . 17502 1 304 . 1 1 27 27 VAL HB H 1 1.857 0.001 . 1 . . . A 340 VAL HB . 17502 1 305 . 1 1 27 27 VAL HG11 H 1 1.258 0.001 . 2 . . . A 340 VAL HG11 . 17502 1 306 . 1 1 27 27 VAL HG12 H 1 1.258 0.001 . 2 . . . A 340 VAL HG12 . 17502 1 307 . 1 1 27 27 VAL HG13 H 1 1.258 0.001 . 2 . . . A 340 VAL HG13 . 17502 1 308 . 1 1 27 27 VAL HG21 H 1 0.968 0.002 . 2 . . . A 340 VAL HG21 . 17502 1 309 . 1 1 27 27 VAL HG22 H 1 0.968 0.002 . 2 . . . A 340 VAL HG22 . 17502 1 310 . 1 1 27 27 VAL HG23 H 1 0.968 0.002 . 2 . . . A 340 VAL HG23 . 17502 1 311 . 1 1 27 27 VAL C C 13 177.000 0.000 . 1 . . . A 340 VAL C . 17502 1 312 . 1 1 27 27 VAL CA C 13 63.420 0.037 . 1 . . . A 340 VAL CA . 17502 1 313 . 1 1 27 27 VAL CB C 13 31.572 0.000 . 1 . . . A 340 VAL CB . 17502 1 314 . 1 1 27 27 VAL CG1 C 13 22.768 0.000 . 2 . . . A 340 VAL CG1 . 17502 1 315 . 1 1 27 27 VAL CG2 C 13 22.167 0.000 . 2 . . . A 340 VAL CG2 . 17502 1 316 . 1 1 27 27 VAL N N 15 120.454 0.000 . 1 . . . A 340 VAL N . 17502 1 317 . 1 1 28 28 THR H H 1 9.478 0.002 . 1 . . . A 341 THR H . 17502 1 318 . 1 1 28 28 THR HA H 1 4.961 0.001 . 1 . . . A 341 THR HA . 17502 1 319 . 1 1 28 28 THR HB H 1 4.543 0.001 . 1 . . . A 341 THR HB . 17502 1 320 . 1 1 28 28 THR HG21 H 1 1.080 0.003 . 1 . . . A 341 THR HG21 . 17502 1 321 . 1 1 28 28 THR HG22 H 1 1.080 0.003 . 1 . . . A 341 THR HG22 . 17502 1 322 . 1 1 28 28 THR HG23 H 1 1.080 0.003 . 1 . . . A 341 THR HG23 . 17502 1 323 . 1 1 28 28 THR CA C 13 60.821 0.000 . 1 . . . A 341 THR CA . 17502 1 324 . 1 1 28 28 THR CB C 13 68.634 0.000 . 1 . . . A 341 THR CB . 17502 1 325 . 1 1 28 28 THR CG2 C 13 21.245 0.000 . 1 . . . A 341 THR CG2 . 17502 1 326 . 1 1 28 28 THR N N 15 119.657 0.000 . 1 . . . A 341 THR N . 17502 1 327 . 1 1 29 29 THR H H 1 7.176 0.002 . 1 . . . A 342 THR H . 17502 1 328 . 1 1 29 29 THR HA H 1 5.688 0.001 . 1 . . . A 342 THR HA . 17502 1 329 . 1 1 29 29 THR HB H 1 4.041 0.003 . 1 . . . A 342 THR HB . 17502 1 330 . 1 1 29 29 THR HG21 H 1 1.270 0.001 . 1 . . . A 342 THR HG21 . 17502 1 331 . 1 1 29 29 THR HG22 H 1 1.270 0.001 . 1 . . . A 342 THR HG22 . 17502 1 332 . 1 1 29 29 THR HG23 H 1 1.270 0.001 . 1 . . . A 342 THR HG23 . 17502 1 333 . 1 1 29 29 THR C C 13 173.377 0.000 . 1 . . . A 342 THR C . 17502 1 334 . 1 1 29 29 THR CA C 13 61.936 0.030 . 1 . . . A 342 THR CA . 17502 1 335 . 1 1 29 29 THR CB C 13 70.136 0.000 . 1 . . . A 342 THR CB . 17502 1 336 . 1 1 29 29 THR CG2 C 13 22.779 0.000 . 1 . . . A 342 THR CG2 . 17502 1 337 . 1 1 29 29 THR N N 15 119.787 0.000 . 1 . . . A 342 THR N . 17502 1 338 . 1 1 30 30 ALA H H 1 9.536 0.001 . 1 . . . A 343 ALA H . 17502 1 339 . 1 1 30 30 ALA HA H 1 4.709 0.001 . 1 . . . A 343 ALA HA . 17502 1 340 . 1 1 30 30 ALA HB1 H 1 1.305 0.003 . 1 . . . A 343 ALA HB1 . 17502 1 341 . 1 1 30 30 ALA HB2 H 1 1.305 0.003 . 1 . . . A 343 ALA HB2 . 17502 1 342 . 1 1 30 30 ALA HB3 H 1 1.305 0.003 . 1 . . . A 343 ALA HB3 . 17502 1 343 . 1 1 30 30 ALA C C 13 174.549 0.000 . 1 . . . A 343 ALA C . 17502 1 344 . 1 1 30 30 ALA CA C 13 50.703 0.020 . 1 . . . A 343 ALA CA . 17502 1 345 . 1 1 30 30 ALA CB C 13 21.492 0.000 . 1 . . . A 343 ALA CB . 17502 1 346 . 1 1 30 30 ALA N N 15 130.411 0.000 . 1 . . . A 343 ALA N . 17502 1 347 . 1 1 31 31 TYR H H 1 8.937 0.001 . 1 . . . A 344 TYR H . 17502 1 348 . 1 1 31 31 TYR HA H 1 4.773 0.001 . 1 . . . A 344 TYR HA . 17502 1 349 . 1 1 31 31 TYR HB2 H 1 2.535 0.001 . 2 . . . A 344 TYR HB2 . 17502 1 350 . 1 1 31 31 TYR HB3 H 1 2.336 0.001 . 2 . . . A 344 TYR HB3 . 17502 1 351 . 1 1 31 31 TYR HD1 H 1 6.369 0.001 . 3 . . . A 344 TYR HD1 . 17502 1 352 . 1 1 31 31 TYR HD2 H 1 6.369 0.001 . 3 . . . A 344 TYR HD2 . 17502 1 353 . 1 1 31 31 TYR HE1 H 1 6.524 0.001 . 3 . . . A 344 TYR HE1 . 17502 1 354 . 1 1 31 31 TYR HE2 H 1 6.524 0.001 . 3 . . . A 344 TYR HE2 . 17502 1 355 . 1 1 31 31 TYR C C 13 172.499 0.000 . 1 . . . A 344 TYR C . 17502 1 356 . 1 1 31 31 TYR CA C 13 56.091 0.057 . 1 . . . A 344 TYR CA . 17502 1 357 . 1 1 31 31 TYR CB C 13 40.140 0.012 . 1 . . . A 344 TYR CB . 17502 1 358 . 1 1 31 31 TYR CD1 C 13 133.371 0.000 . 3 . . . A 344 TYR CD1 . 17502 1 359 . 1 1 31 31 TYR CD2 C 13 133.371 0.000 . 3 . . . A 344 TYR CD2 . 17502 1 360 . 1 1 31 31 TYR CE1 C 13 117.271 0.000 . 3 . . . A 344 TYR CE1 . 17502 1 361 . 1 1 31 31 TYR CE2 C 13 117.271 0.000 . 3 . . . A 344 TYR CE2 . 17502 1 362 . 1 1 31 31 TYR N N 15 123.108 0.000 . 1 . . . A 344 TYR N . 17502 1 363 . 1 1 32 32 ILE H H 1 7.706 0.002 . 1 . . . A 345 ILE H . 17502 1 364 . 1 1 32 32 ILE HA H 1 4.499 0.004 . 1 . . . A 345 ILE HA . 17502 1 365 . 1 1 32 32 ILE HB H 1 1.757 0.001 . 1 . . . A 345 ILE HB . 17502 1 366 . 1 1 32 32 ILE HG12 H 1 0.955 0.001 . 2 . . . A 345 ILE HG12 . 17502 1 367 . 1 1 32 32 ILE HG21 H 1 0.835 0.001 . 1 . . . A 345 ILE HG21 . 17502 1 368 . 1 1 32 32 ILE HG22 H 1 0.835 0.001 . 1 . . . A 345 ILE HG22 . 17502 1 369 . 1 1 32 32 ILE HG23 H 1 0.835 0.001 . 1 . . . A 345 ILE HG23 . 17502 1 370 . 1 1 32 32 ILE HD11 H 1 0.413 0.001 . 1 . . . A 345 ILE HD11 . 17502 1 371 . 1 1 32 32 ILE HD12 H 1 0.413 0.001 . 1 . . . A 345 ILE HD12 . 17502 1 372 . 1 1 32 32 ILE HD13 H 1 0.413 0.001 . 1 . . . A 345 ILE HD13 . 17502 1 373 . 1 1 32 32 ILE C C 13 174.188 0.000 . 1 . . . A 345 ILE C . 17502 1 374 . 1 1 32 32 ILE CA C 13 58.365 0.013 . 1 . . . A 345 ILE CA . 17502 1 375 . 1 1 32 32 ILE CB C 13 38.441 0.000 . 1 . . . A 345 ILE CB . 17502 1 376 . 1 1 32 32 ILE CG1 C 13 27.612 0.000 . 1 . . . A 345 ILE CG1 . 17502 1 377 . 1 1 32 32 ILE CG2 C 13 19.935 0.000 . 1 . . . A 345 ILE CG2 . 17502 1 378 . 1 1 32 32 ILE CD1 C 13 12.849 0.000 . 1 . . . A 345 ILE CD1 . 17502 1 379 . 1 1 32 32 ILE N N 15 126.453 0.000 . 1 . . . A 345 ILE N . 17502 1 380 . 1 1 33 33 GLY H H 1 9.118 0.001 . 1 . . . A 346 GLY H . 17502 1 381 . 1 1 33 33 GLY HA2 H 1 5.095 0.004 . 2 . . . A 346 GLY HA2 . 17502 1 382 . 1 1 33 33 GLY HA3 H 1 3.572 0.005 . 2 . . . A 346 GLY HA3 . 17502 1 383 . 1 1 33 33 GLY C C 13 173.632 0.000 . 1 . . . A 346 GLY C . 17502 1 384 . 1 1 33 33 GLY CA C 13 42.929 0.003 . 1 . . . A 346 GLY CA . 17502 1 385 . 1 1 33 33 GLY N N 15 112.224 0.000 . 1 . . . A 346 GLY N . 17502 1 386 . 1 1 34 34 ASN H H 1 8.699 0.001 . 1 . . . A 347 ASN H . 17502 1 387 . 1 1 34 34 ASN HA H 1 4.410 0.003 . 1 . . . A 347 ASN HA . 17502 1 388 . 1 1 34 34 ASN HB2 H 1 2.501 0.004 . 2 . . . A 347 ASN HB2 . 17502 1 389 . 1 1 34 34 ASN HB3 H 1 3.739 0.002 . 2 . . . A 347 ASN HB3 . 17502 1 390 . 1 1 34 34 ASN HD21 H 1 8.181 0.003 . 1 . . . A 347 ASN HD21 . 17502 1 391 . 1 1 34 34 ASN HD22 H 1 7.004 0.003 . 1 . . . A 347 ASN HD22 . 17502 1 392 . 1 1 34 34 ASN C C 13 173.974 0.000 . 1 . . . A 347 ASN C . 17502 1 393 . 1 1 34 34 ASN CA C 13 53.666 0.048 . 1 . . . A 347 ASN CA . 17502 1 394 . 1 1 34 34 ASN CB C 13 39.301 0.014 . 1 . . . A 347 ASN CB . 17502 1 395 . 1 1 34 34 ASN CG C 13 179.096 0.000 . 1 . . . A 347 ASN CG . 17502 1 396 . 1 1 34 34 ASN N N 15 115.579 0.000 . 1 . . . A 347 ASN N . 17502 1 397 . 1 1 34 34 ASN ND2 N 15 111.781 0.003 . 1 . . . A 347 ASN ND2 . 17502 1 398 . 1 1 35 35 ILE H H 1 8.328 0.001 . 1 . . . A 348 ILE H . 17502 1 399 . 1 1 35 35 ILE HA H 1 3.879 0.003 . 1 . . . A 348 ILE HA . 17502 1 400 . 1 1 35 35 ILE HB H 1 1.279 0.002 . 1 . . . A 348 ILE HB . 17502 1 401 . 1 1 35 35 ILE HG12 H 1 1.467 0.003 . 2 . . . A 348 ILE HG12 . 17502 1 402 . 1 1 35 35 ILE HG13 H 1 0.601 0.002 . 2 . . . A 348 ILE HG13 . 17502 1 403 . 1 1 35 35 ILE HG21 H 1 0.967 0.002 . 1 . . . A 348 ILE HG21 . 17502 1 404 . 1 1 35 35 ILE HG22 H 1 0.967 0.002 . 1 . . . A 348 ILE HG22 . 17502 1 405 . 1 1 35 35 ILE HG23 H 1 0.967 0.002 . 1 . . . A 348 ILE HG23 . 17502 1 406 . 1 1 35 35 ILE HD11 H 1 0.629 0.002 . 1 . . . A 348 ILE HD11 . 17502 1 407 . 1 1 35 35 ILE HD12 H 1 0.629 0.002 . 1 . . . A 348 ILE HD12 . 17502 1 408 . 1 1 35 35 ILE HD13 H 1 0.629 0.002 . 1 . . . A 348 ILE HD13 . 17502 1 409 . 1 1 35 35 ILE C C 13 175.779 0.000 . 1 . . . A 348 ILE C . 17502 1 410 . 1 1 35 35 ILE CA C 13 59.022 0.001 . 1 . . . A 348 ILE CA . 17502 1 411 . 1 1 35 35 ILE CB C 13 39.898 0.000 . 1 . . . A 348 ILE CB . 17502 1 412 . 1 1 35 35 ILE CG1 C 13 28.754 0.018 . 1 . . . A 348 ILE CG1 . 17502 1 413 . 1 1 35 35 ILE CG2 C 13 18.311 0.000 . 1 . . . A 348 ILE CG2 . 17502 1 414 . 1 1 35 35 ILE CD1 C 13 14.901 0.000 . 1 . . . A 348 ILE CD1 . 17502 1 415 . 1 1 35 35 ILE N N 15 116.649 0.000 . 1 . . . A 348 ILE N . 17502 1 416 . 1 1 36 36 PRO HA H 1 4.224 0.002 . 1 . . . A 349 PRO HA . 17502 1 417 . 1 1 36 36 PRO HB2 H 1 1.089 0.004 . 2 . . . A 349 PRO HB2 . 17502 1 418 . 1 1 36 36 PRO HB3 H 1 1.953 0.003 . 2 . . . A 349 PRO HB3 . 17502 1 419 . 1 1 36 36 PRO HG2 H 1 2.123 0.002 . 2 . . . A 349 PRO HG2 . 17502 1 420 . 1 1 36 36 PRO HG3 H 1 1.914 0.003 . 2 . . . A 349 PRO HG3 . 17502 1 421 . 1 1 36 36 PRO HD2 H 1 3.568 0.002 . 2 . . . A 349 PRO HD2 . 17502 1 422 . 1 1 36 36 PRO HD3 H 1 3.966 0.002 . 2 . . . A 349 PRO HD3 . 17502 1 423 . 1 1 36 36 PRO C C 13 178.716 0.000 . 1 . . . A 349 PRO C . 17502 1 424 . 1 1 36 36 PRO CA C 13 63.318 0.028 . 1 . . . A 349 PRO CA . 17502 1 425 . 1 1 36 36 PRO CB C 13 32.045 0.015 . 1 . . . A 349 PRO CB . 17502 1 426 . 1 1 36 36 PRO CG C 13 28.100 0.008 . 1 . . . A 349 PRO CG . 17502 1 427 . 1 1 36 36 PRO CD C 13 50.681 0.009 . 1 . . . A 349 PRO CD . 17502 1 428 . 1 1 37 37 HIS HA H 1 4.436 0.001 . 1 . . . A 350 HIS HA . 17502 1 429 . 1 1 37 37 HIS HB2 H 1 3.107 0.001 . 2 . . . A 350 HIS HB2 . 17502 1 430 . 1 1 37 37 HIS HD2 H 1 7.055 0.002 . 1 . . . A 350 HIS HD2 . 17502 1 431 . 1 1 37 37 HIS C C 13 174.824 0.000 . 1 . . . A 350 HIS C . 17502 1 432 . 1 1 37 37 HIS CA C 13 58.458 0.000 . 1 . . . A 350 HIS CA . 17502 1 433 . 1 1 37 37 HIS CB C 13 29.689 0.000 . 1 . . . A 350 HIS CB . 17502 1 434 . 1 1 37 37 HIS CD2 C 13 119.419 0.000 . 1 . . . A 350 HIS CD2 . 17502 1 435 . 1 1 38 38 PHE H H 1 6.645 0.011 . 1 . . . A 351 PHE H . 17502 1 436 . 1 1 38 38 PHE HA H 1 4.686 0.002 . 1 . . . A 351 PHE HA . 17502 1 437 . 1 1 38 38 PHE HB2 H 1 3.381 0.001 . 2 . . . A 351 PHE HB2 . 17502 1 438 . 1 1 38 38 PHE HB3 H 1 2.939 0.008 . 2 . . . A 351 PHE HB3 . 17502 1 439 . 1 1 38 38 PHE HD1 H 1 7.104 0.001 . 3 . . . A 351 PHE HD1 . 17502 1 440 . 1 1 38 38 PHE HD2 H 1 7.104 0.001 . 3 . . . A 351 PHE HD2 . 17502 1 441 . 1 1 38 38 PHE HE1 H 1 7.472 0.002 . 3 . . . A 351 PHE HE1 . 17502 1 442 . 1 1 38 38 PHE HE2 H 1 7.472 0.002 . 3 . . . A 351 PHE HE2 . 17502 1 443 . 1 1 38 38 PHE CA C 13 55.375 0.000 . 1 . . . A 351 PHE CA . 17502 1 444 . 1 1 38 38 PHE CB C 13 38.068 0.022 . 1 . . . A 351 PHE CB . 17502 1 445 . 1 1 38 38 PHE CD1 C 13 131.421 0.000 . 3 . . . A 351 PHE CD1 . 17502 1 446 . 1 1 38 38 PHE CD2 C 13 131.421 0.000 . 3 . . . A 351 PHE CD2 . 17502 1 447 . 1 1 38 38 PHE CE1 C 13 130.815 0.000 . 3 . . . A 351 PHE CE1 . 17502 1 448 . 1 1 38 38 PHE CE2 C 13 130.815 0.000 . 3 . . . A 351 PHE CE2 . 17502 1 449 . 1 1 38 38 PHE N N 15 111.585 0.000 . 1 . . . A 351 PHE N . 17502 1 450 . 1 1 39 39 ALA H H 1 7.239 0.001 . 1 . . . A 352 ALA H . 17502 1 451 . 1 1 39 39 ALA HA H 1 4.645 0.002 . 1 . . . A 352 ALA HA . 17502 1 452 . 1 1 39 39 ALA HB1 H 1 1.425 0.002 . 1 . . . A 352 ALA HB1 . 17502 1 453 . 1 1 39 39 ALA HB2 H 1 1.425 0.002 . 1 . . . A 352 ALA HB2 . 17502 1 454 . 1 1 39 39 ALA HB3 H 1 1.425 0.002 . 1 . . . A 352 ALA HB3 . 17502 1 455 . 1 1 39 39 ALA C C 13 177.420 0.000 . 1 . . . A 352 ALA C . 17502 1 456 . 1 1 39 39 ALA CA C 13 52.763 0.056 . 1 . . . A 352 ALA CA . 17502 1 457 . 1 1 39 39 ALA CB C 13 19.303 0.000 . 1 . . . A 352 ALA CB . 17502 1 458 . 1 1 39 39 ALA N N 15 125.001 0.000 . 1 . . . A 352 ALA N . 17502 1 459 . 1 1 40 40 THR H H 1 9.132 0.003 . 1 . . . A 353 THR H . 17502 1 460 . 1 1 40 40 THR HA H 1 4.946 0.004 . 1 . . . A 353 THR HA . 17502 1 461 . 1 1 40 40 THR HB H 1 4.704 0.004 . 1 . . . A 353 THR HB . 17502 1 462 . 1 1 40 40 THR HG21 H 1 1.415 0.003 . 1 . . . A 353 THR HG21 . 17502 1 463 . 1 1 40 40 THR HG22 H 1 1.415 0.003 . 1 . . . A 353 THR HG22 . 17502 1 464 . 1 1 40 40 THR HG23 H 1 1.415 0.003 . 1 . . . A 353 THR HG23 . 17502 1 465 . 1 1 40 40 THR C C 13 176.091 0.000 . 1 . . . A 353 THR C . 17502 1 466 . 1 1 40 40 THR CA C 13 59.653 0.052 . 1 . . . A 353 THR CA . 17502 1 467 . 1 1 40 40 THR CB C 13 72.489 0.000 . 1 . . . A 353 THR CB . 17502 1 468 . 1 1 40 40 THR CG2 C 13 21.629 0.000 . 1 . . . A 353 THR CG2 . 17502 1 469 . 1 1 40 40 THR N N 15 112.747 0.000 . 1 . . . A 353 THR N . 17502 1 470 . 1 1 41 41 GLU H H 1 9.306 0.005 . 1 . . . A 354 GLU H . 17502 1 471 . 1 1 41 41 GLU HA H 1 3.780 0.001 . 1 . . . A 354 GLU HA . 17502 1 472 . 1 1 41 41 GLU HB2 H 1 2.251 0.004 . 2 . . . A 354 GLU HB2 . 17502 1 473 . 1 1 41 41 GLU HB3 H 1 2.157 0.005 . 2 . . . A 354 GLU HB3 . 17502 1 474 . 1 1 41 41 GLU HG2 H 1 2.348 0.006 . 2 . . . A 354 GLU HG2 . 17502 1 475 . 1 1 41 41 GLU HG3 H 1 2.231 0.001 . 2 . . . A 354 GLU HG3 . 17502 1 476 . 1 1 41 41 GLU C C 13 177.307 0.000 . 1 . . . A 354 GLU C . 17502 1 477 . 1 1 41 41 GLU CA C 13 60.797 0.035 . 1 . . . A 354 GLU CA . 17502 1 478 . 1 1 41 41 GLU CB C 13 29.419 0.006 . 1 . . . A 354 GLU CB . 17502 1 479 . 1 1 41 41 GLU CG C 13 36.831 0.016 . 1 . . . A 354 GLU CG . 17502 1 480 . 1 1 41 41 GLU CD C 13 182.890 0.000 . 1 . . . A 354 GLU CD . 17502 1 481 . 1 1 41 41 GLU N N 15 121.596 0.000 . 1 . . . A 354 GLU N . 17502 1 482 . 1 1 42 42 ALA H H 1 8.015 0.004 . 1 . . . A 355 ALA H . 17502 1 483 . 1 1 42 42 ALA HA H 1 4.056 0.002 . 1 . . . A 355 ALA HA . 17502 1 484 . 1 1 42 42 ALA HB1 H 1 1.384 0.003 . 1 . . . A 355 ALA HB1 . 17502 1 485 . 1 1 42 42 ALA HB2 H 1 1.384 0.003 . 1 . . . A 355 ALA HB2 . 17502 1 486 . 1 1 42 42 ALA HB3 H 1 1.384 0.003 . 1 . . . A 355 ALA HB3 . 17502 1 487 . 1 1 42 42 ALA C C 13 179.150 0.000 . 1 . . . A 355 ALA C . 17502 1 488 . 1 1 42 42 ALA CA C 13 54.381 0.036 . 1 . . . A 355 ALA CA . 17502 1 489 . 1 1 42 42 ALA CB C 13 18.401 0.000 . 1 . . . A 355 ALA CB . 17502 1 490 . 1 1 42 42 ALA N N 15 119.289 0.000 . 1 . . . A 355 ALA N . 17502 1 491 . 1 1 43 43 ASP H H 1 7.444 0.002 . 1 . . . A 356 ASP H . 17502 1 492 . 1 1 43 43 ASP HA H 1 4.598 0.004 . 1 . . . A 356 ASP HA . 17502 1 493 . 1 1 43 43 ASP HB2 H 1 3.000 0.005 . 2 . . . A 356 ASP HB2 . 17502 1 494 . 1 1 43 43 ASP HB3 H 1 2.826 0.002 . 2 . . . A 356 ASP HB3 . 17502 1 495 . 1 1 43 43 ASP C C 13 177.121 0.000 . 1 . . . A 356 ASP C . 17502 1 496 . 1 1 43 43 ASP CA C 13 55.749 0.031 . 1 . . . A 356 ASP CA . 17502 1 497 . 1 1 43 43 ASP CB C 13 42.443 0.021 . 1 . . . A 356 ASP CB . 17502 1 498 . 1 1 43 43 ASP CG C 13 179.149 0.000 . 1 . . . A 356 ASP CG . 17502 1 499 . 1 1 43 43 ASP N N 15 114.233 0.000 . 1 . . . A 356 ASP N . 17502 1 500 . 1 1 44 44 LEU H H 1 7.576 0.002 . 1 . . . A 357 LEU H . 17502 1 501 . 1 1 44 44 LEU HA H 1 3.744 0.003 . 1 . . . A 357 LEU HA . 17502 1 502 . 1 1 44 44 LEU HB2 H 1 1.467 0.002 . 2 . . . A 357 LEU HB2 . 17502 1 503 . 1 1 44 44 LEU HB3 H 1 1.293 0.002 . 2 . . . A 357 LEU HB3 . 17502 1 504 . 1 1 44 44 LEU HG H 1 1.563 0.004 . 1 . . . A 357 LEU HG . 17502 1 505 . 1 1 44 44 LEU HD11 H 1 0.317 0.002 . 2 . . . A 357 LEU HD11 . 17502 1 506 . 1 1 44 44 LEU HD12 H 1 0.317 0.002 . 2 . . . A 357 LEU HD12 . 17502 1 507 . 1 1 44 44 LEU HD13 H 1 0.317 0.002 . 2 . . . A 357 LEU HD13 . 17502 1 508 . 1 1 44 44 LEU HD21 H 1 0.265 0.001 . 2 . . . A 357 LEU HD21 . 17502 1 509 . 1 1 44 44 LEU HD22 H 1 0.265 0.001 . 2 . . . A 357 LEU HD22 . 17502 1 510 . 1 1 44 44 LEU HD23 H 1 0.265 0.001 . 2 . . . A 357 LEU HD23 . 17502 1 511 . 1 1 44 44 LEU C C 13 176.450 0.000 . 1 . . . A 357 LEU C . 17502 1 512 . 1 1 44 44 LEU CA C 13 56.331 0.003 . 1 . . . A 357 LEU CA . 17502 1 513 . 1 1 44 44 LEU CB C 13 43.491 0.000 . 1 . . . A 357 LEU CB . 17502 1 514 . 1 1 44 44 LEU CG C 13 26.367 0.000 . 1 . . . A 357 LEU CG . 17502 1 515 . 1 1 44 44 LEU CD1 C 13 22.449 0.000 . 2 . . . A 357 LEU CD1 . 17502 1 516 . 1 1 44 44 LEU CD2 C 13 24.973 0.000 . 2 . . . A 357 LEU CD2 . 17502 1 517 . 1 1 44 44 LEU N N 15 118.620 0.000 . 1 . . . A 357 LEU N . 17502 1 518 . 1 1 45 45 ILE H H 1 8.123 0.001 . 1 . . . A 358 ILE H . 17502 1 519 . 1 1 45 45 ILE HA H 1 3.449 0.001 . 1 . . . A 358 ILE HA . 17502 1 520 . 1 1 45 45 ILE HB H 1 1.863 0.001 . 1 . . . A 358 ILE HB . 17502 1 521 . 1 1 45 45 ILE HG12 H 1 1.120 0.001 . 2 . . . A 358 ILE HG12 . 17502 1 522 . 1 1 45 45 ILE HG13 H 1 0.563 0.005 . 2 . . . A 358 ILE HG13 . 17502 1 523 . 1 1 45 45 ILE HG21 H 1 0.644 0.001 . 1 . . . A 358 ILE HG21 . 17502 1 524 . 1 1 45 45 ILE HG22 H 1 0.644 0.001 . 1 . . . A 358 ILE HG22 . 17502 1 525 . 1 1 45 45 ILE HG23 H 1 0.644 0.001 . 1 . . . A 358 ILE HG23 . 17502 1 526 . 1 1 45 45 ILE HD11 H 1 0.247 0.003 . 1 . . . A 358 ILE HD11 . 17502 1 527 . 1 1 45 45 ILE HD12 H 1 0.247 0.003 . 1 . . . A 358 ILE HD12 . 17502 1 528 . 1 1 45 45 ILE HD13 H 1 0.247 0.003 . 1 . . . A 358 ILE HD13 . 17502 1 529 . 1 1 45 45 ILE C C 13 174.651 0.000 . 1 . . . A 358 ILE C . 17502 1 530 . 1 1 45 45 ILE CA C 13 66.148 0.023 . 1 . . . A 358 ILE CA . 17502 1 531 . 1 1 45 45 ILE CB C 13 34.583 0.000 . 1 . . . A 358 ILE CB . 17502 1 532 . 1 1 45 45 ILE CG1 C 13 29.185 0.019 . 1 . . . A 358 ILE CG1 . 17502 1 533 . 1 1 45 45 ILE CG2 C 13 16.882 0.000 . 1 . . . A 358 ILE CG2 . 17502 1 534 . 1 1 45 45 ILE CD1 C 13 10.568 0.000 . 1 . . . A 358 ILE CD1 . 17502 1 535 . 1 1 45 45 ILE N N 15 118.299 0.000 . 1 . . . A 358 ILE N . 17502 1 536 . 1 1 46 46 PRO HA H 1 4.202 0.001 . 1 . . . A 359 PRO HA . 17502 1 537 . 1 1 46 46 PRO HB2 H 1 2.254 0.003 . 2 . . . A 359 PRO HB2 . 17502 1 538 . 1 1 46 46 PRO HB3 H 1 1.644 0.002 . 2 . . . A 359 PRO HB3 . 17502 1 539 . 1 1 46 46 PRO HG2 H 1 2.076 0.002 . 2 . . . A 359 PRO HG2 . 17502 1 540 . 1 1 46 46 PRO HG3 H 1 1.849 0.003 . 2 . . . A 359 PRO HG3 . 17502 1 541 . 1 1 46 46 PRO HD2 H 1 3.459 0.001 . 2 . . . A 359 PRO HD2 . 17502 1 542 . 1 1 46 46 PRO HD3 H 1 3.179 0.002 . 2 . . . A 359 PRO HD3 . 17502 1 543 . 1 1 46 46 PRO C C 13 178.873 0.000 . 1 . . . A 359 PRO C . 17502 1 544 . 1 1 46 46 PRO CA C 13 65.589 0.008 . 1 . . . A 359 PRO CA . 17502 1 545 . 1 1 46 46 PRO CB C 13 30.900 0.011 . 1 . . . A 359 PRO CB . 17502 1 546 . 1 1 46 46 PRO CG C 13 28.566 0.018 . 1 . . . A 359 PRO CG . 17502 1 547 . 1 1 46 46 PRO CD C 13 50.368 0.003 . 1 . . . A 359 PRO CD . 17502 1 548 . 1 1 47 47 LEU H H 1 6.582 0.002 . 1 . . . A 360 LEU H . 17502 1 549 . 1 1 47 47 LEU HA H 1 3.867 0.005 . 1 . . . A 360 LEU HA . 17502 1 550 . 1 1 47 47 LEU HB2 H 1 1.397 0.002 . 2 . . . A 360 LEU HB2 . 17502 1 551 . 1 1 47 47 LEU HB3 H 1 1.211 0.002 . 2 . . . A 360 LEU HB3 . 17502 1 552 . 1 1 47 47 LEU HG H 1 1.173 0.002 . 1 . . . A 360 LEU HG . 17502 1 553 . 1 1 47 47 LEU HD11 H 1 0.667 0.002 . 2 . . . A 360 LEU HD11 . 17502 1 554 . 1 1 47 47 LEU HD12 H 1 0.667 0.002 . 2 . . . A 360 LEU HD12 . 17502 1 555 . 1 1 47 47 LEU HD13 H 1 0.667 0.002 . 2 . . . A 360 LEU HD13 . 17502 1 556 . 1 1 47 47 LEU HD21 H 1 0.368 0.001 . 2 . . . A 360 LEU HD21 . 17502 1 557 . 1 1 47 47 LEU HD22 H 1 0.368 0.001 . 2 . . . A 360 LEU HD22 . 17502 1 558 . 1 1 47 47 LEU HD23 H 1 0.368 0.001 . 2 . . . A 360 LEU HD23 . 17502 1 559 . 1 1 47 47 LEU C C 13 178.780 0.000 . 1 . . . A 360 LEU C . 17502 1 560 . 1 1 47 47 LEU CA C 13 57.037 0.016 . 1 . . . A 360 LEU CA . 17502 1 561 . 1 1 47 47 LEU CB C 13 41.336 0.012 . 1 . . . A 360 LEU CB . 17502 1 562 . 1 1 47 47 LEU CG C 13 26.902 0.000 . 1 . . . A 360 LEU CG . 17502 1 563 . 1 1 47 47 LEU CD1 C 13 22.989 0.000 . 2 . . . A 360 LEU CD1 . 17502 1 564 . 1 1 47 47 LEU CD2 C 13 24.802 0.000 . 2 . . . A 360 LEU CD2 . 17502 1 565 . 1 1 47 47 LEU N N 15 115.685 0.000 . 1 . . . A 360 LEU N . 17502 1 566 . 1 1 48 48 PHE H H 1 7.374 0.001 . 1 . . . A 361 PHE H . 17502 1 567 . 1 1 48 48 PHE HA H 1 4.790 0.005 . 1 . . . A 361 PHE HA . 17502 1 568 . 1 1 48 48 PHE HB2 H 1 3.512 0.002 . 2 . . . A 361 PHE HB2 . 17502 1 569 . 1 1 48 48 PHE HB3 H 1 2.799 0.002 . 2 . . . A 361 PHE HB3 . 17502 1 570 . 1 1 48 48 PHE HD1 H 1 6.873 0.002 . 3 . . . A 361 PHE HD1 . 17502 1 571 . 1 1 48 48 PHE HD2 H 1 6.873 0.002 . 3 . . . A 361 PHE HD2 . 17502 1 572 . 1 1 48 48 PHE HE1 H 1 7.054 0.001 . 3 . . . A 361 PHE HE1 . 17502 1 573 . 1 1 48 48 PHE HE2 H 1 7.054 0.001 . 3 . . . A 361 PHE HE2 . 17502 1 574 . 1 1 48 48 PHE HZ H 1 6.649 0.001 . 1 . . . A 361 PHE HZ . 17502 1 575 . 1 1 48 48 PHE CA C 13 57.849 0.000 . 1 . . . A 361 PHE CA . 17502 1 576 . 1 1 48 48 PHE CB C 13 38.205 0.007 . 1 . . . A 361 PHE CB . 17502 1 577 . 1 1 48 48 PHE CD1 C 13 130.664 0.000 . 3 . . . A 361 PHE CD1 . 17502 1 578 . 1 1 48 48 PHE CD2 C 13 130.664 0.000 . 3 . . . A 361 PHE CD2 . 17502 1 579 . 1 1 48 48 PHE CE1 C 13 131.408 0.000 . 3 . . . A 361 PHE CE1 . 17502 1 580 . 1 1 48 48 PHE CE2 C 13 131.408 0.000 . 3 . . . A 361 PHE CE2 . 17502 1 581 . 1 1 48 48 PHE CZ C 13 128.669 0.000 . 1 . . . A 361 PHE CZ . 17502 1 582 . 1 1 48 48 PHE N N 15 115.852 0.000 . 1 . . . A 361 PHE N . 17502 1 583 . 1 1 49 49 GLN H H 1 8.753 0.002 . 1 . . . A 362 GLN H . 17502 1 584 . 1 1 49 49 GLN HA H 1 4.410 0.004 . 1 . . . A 362 GLN HA . 17502 1 585 . 1 1 49 49 GLN HB2 H 1 2.170 0.003 . 2 . . . A 362 GLN HB2 . 17502 1 586 . 1 1 49 49 GLN HB3 H 1 2.075 0.002 . 2 . . . A 362 GLN HB3 . 17502 1 587 . 1 1 49 49 GLN HG2 H 1 2.559 0.002 . 2 . . . A 362 GLN HG2 . 17502 1 588 . 1 1 49 49 GLN HG3 H 1 2.459 0.001 . 2 . . . A 362 GLN HG3 . 17502 1 589 . 1 1 49 49 GLN HE21 H 1 7.389 0.001 . 1 . . . A 362 GLN HE21 . 17502 1 590 . 1 1 49 49 GLN HE22 H 1 6.717 0.001 . 1 . . . A 362 GLN HE22 . 17502 1 591 . 1 1 49 49 GLN C C 13 175.952 0.000 . 1 . . . A 362 GLN C . 17502 1 592 . 1 1 49 49 GLN CA C 13 57.904 0.009 . 1 . . . A 362 GLN CA . 17502 1 593 . 1 1 49 49 GLN CG C 13 34.383 0.039 . 1 . . . A 362 GLN CG . 17502 1 594 . 1 1 49 49 GLN CD C 13 179.820 0.000 . 1 . . . A 362 GLN CD . 17502 1 595 . 1 1 49 49 GLN N N 15 121.471 0.000 . 1 . . . A 362 GLN N . 17502 1 596 . 1 1 49 49 GLN NE2 N 15 111.169 0.001 . 1 . . . A 362 GLN NE2 . 17502 1 597 . 1 1 50 50 ASN H H 1 7.109 0.003 . 1 . . . A 363 ASN H . 17502 1 598 . 1 1 50 50 ASN HA H 1 4.241 0.003 . 1 . . . A 363 ASN HA . 17502 1 599 . 1 1 50 50 ASN HB2 H 1 1.879 0.004 . 2 . . . A 363 ASN HB2 . 17502 1 600 . 1 1 50 50 ASN HB3 H 1 1.716 0.005 . 2 . . . A 363 ASN HB3 . 17502 1 601 . 1 1 50 50 ASN HD21 H 1 7.259 0.001 . 1 . . . A 363 ASN HD21 . 17502 1 602 . 1 1 50 50 ASN HD22 H 1 7.066 0.001 . 1 . . . A 363 ASN HD22 . 17502 1 603 . 1 1 50 50 ASN CA C 13 55.408 0.000 . 1 . . . A 363 ASN CA . 17502 1 604 . 1 1 50 50 ASN CB C 13 38.780 0.018 . 1 . . . A 363 ASN CB . 17502 1 605 . 1 1 50 50 ASN CG C 13 175.852 0.000 . 1 . . . A 363 ASN CG . 17502 1 606 . 1 1 50 50 ASN N N 15 113.968 0.000 . 1 . . . A 363 ASN N . 17502 1 607 . 1 1 50 50 ASN ND2 N 15 115.316 0.001 . 1 . . . A 363 ASN ND2 . 17502 1 608 . 1 1 51 51 PHE H H 1 6.798 0.002 . 1 . . . A 364 PHE H . 17502 1 609 . 1 1 51 51 PHE HA H 1 4.542 0.004 . 1 . . . A 364 PHE HA . 17502 1 610 . 1 1 51 51 PHE HB2 H 1 3.286 0.002 . 2 . . . A 364 PHE HB2 . 17502 1 611 . 1 1 51 51 PHE HB3 H 1 2.496 0.005 . 2 . . . A 364 PHE HB3 . 17502 1 612 . 1 1 51 51 PHE HD1 H 1 7.258 0.001 . 3 . . . A 364 PHE HD1 . 17502 1 613 . 1 1 51 51 PHE HD2 H 1 7.258 0.001 . 3 . . . A 364 PHE HD2 . 17502 1 614 . 1 1 51 51 PHE HE1 H 1 7.141 0.001 . 3 . . . A 364 PHE HE1 . 17502 1 615 . 1 1 51 51 PHE HE2 H 1 7.141 0.001 . 3 . . . A 364 PHE HE2 . 17502 1 616 . 1 1 51 51 PHE C C 13 173.880 0.000 . 1 . . . A 364 PHE C . 17502 1 617 . 1 1 51 51 PHE CA C 13 57.561 0.062 . 1 . . . A 364 PHE CA . 17502 1 618 . 1 1 51 51 PHE CB C 13 39.272 0.017 . 1 . . . A 364 PHE CB . 17502 1 619 . 1 1 51 51 PHE CD1 C 13 131.486 0.000 . 3 . . . A 364 PHE CD1 . 17502 1 620 . 1 1 51 51 PHE CD2 C 13 131.486 0.000 . 3 . . . A 364 PHE CD2 . 17502 1 621 . 1 1 51 51 PHE CE1 C 13 131.299 0.000 . 3 . . . A 364 PHE CE1 . 17502 1 622 . 1 1 51 51 PHE CE2 C 13 131.299 0.000 . 3 . . . A 364 PHE CE2 . 17502 1 623 . 1 1 51 51 PHE N N 15 113.340 0.000 . 1 . . . A 364 PHE N . 17502 1 624 . 1 1 52 52 GLY H H 1 7.174 0.003 . 1 . . . A 365 GLY H . 17502 1 625 . 1 1 52 52 GLY HA2 H 1 4.087 0.002 . 2 . . . A 365 GLY HA2 . 17502 1 626 . 1 1 52 52 GLY HA3 H 1 3.951 0.002 . 2 . . . A 365 GLY HA3 . 17502 1 627 . 1 1 52 52 GLY C C 13 170.304 0.000 . 1 . . . A 365 GLY C . 17502 1 628 . 1 1 52 52 GLY CA C 13 44.984 0.026 . 1 . . . A 365 GLY CA . 17502 1 629 . 1 1 52 52 GLY N N 15 102.711 0.000 . 1 . . . A 365 GLY N . 17502 1 630 . 1 1 53 53 PHE H H 1 7.625 0.005 . 1 . . . A 366 PHE H . 17502 1 631 . 1 1 53 53 PHE HA H 1 4.835 0.005 . 1 . . . A 366 PHE HA . 17502 1 632 . 1 1 53 53 PHE HB2 H 1 3.258 0.002 . 2 . . . A 366 PHE HB2 . 17502 1 633 . 1 1 53 53 PHE HB3 H 1 3.206 0.001 . 2 . . . A 366 PHE HB3 . 17502 1 634 . 1 1 53 53 PHE HD1 H 1 7.265 0.001 . 3 . . . A 366 PHE HD1 . 17502 1 635 . 1 1 53 53 PHE HD2 H 1 7.265 0.001 . 3 . . . A 366 PHE HD2 . 17502 1 636 . 1 1 53 53 PHE HE1 H 1 7.381 0.001 . 3 . . . A 366 PHE HE1 . 17502 1 637 . 1 1 53 53 PHE HE2 H 1 7.381 0.001 . 3 . . . A 366 PHE HE2 . 17502 1 638 . 1 1 53 53 PHE HZ H 1 7.329 0.001 . 1 . . . A 366 PHE HZ . 17502 1 639 . 1 1 53 53 PHE C C 13 174.399 0.000 . 1 . . . A 366 PHE C . 17502 1 640 . 1 1 53 53 PHE CA C 13 56.648 0.005 . 1 . . . A 366 PHE CA . 17502 1 641 . 1 1 53 53 PHE CB C 13 40.267 0.006 . 1 . . . A 366 PHE CB . 17502 1 642 . 1 1 53 53 PHE CD1 C 13 132.402 0.000 . 3 . . . A 366 PHE CD1 . 17502 1 643 . 1 1 53 53 PHE CD2 C 13 132.402 0.000 . 3 . . . A 366 PHE CD2 . 17502 1 644 . 1 1 53 53 PHE CE1 C 13 131.434 0.000 . 3 . . . A 366 PHE CE1 . 17502 1 645 . 1 1 53 53 PHE CE2 C 13 131.434 0.000 . 3 . . . A 366 PHE CE2 . 17502 1 646 . 1 1 53 53 PHE CZ C 13 129.924 0.000 . 1 . . . A 366 PHE CZ . 17502 1 647 . 1 1 53 53 PHE N N 15 119.410 0.000 . 1 . . . A 366 PHE N . 17502 1 648 . 1 1 54 54 ILE H H 1 8.322 0.001 . 1 . . . A 367 ILE H . 17502 1 649 . 1 1 54 54 ILE HA H 1 3.627 0.002 . 1 . . . A 367 ILE HA . 17502 1 650 . 1 1 54 54 ILE HB H 1 1.559 0.005 . 1 . . . A 367 ILE HB . 17502 1 651 . 1 1 54 54 ILE HG12 H 1 1.643 0.004 . 2 . . . A 367 ILE HG12 . 17502 1 652 . 1 1 54 54 ILE HG13 H 1 0.257 0.004 . 2 . . . A 367 ILE HG13 . 17502 1 653 . 1 1 54 54 ILE HG21 H 1 0.581 0.001 . 1 . . . A 367 ILE HG21 . 17502 1 654 . 1 1 54 54 ILE HG22 H 1 0.581 0.001 . 1 . . . A 367 ILE HG22 . 17502 1 655 . 1 1 54 54 ILE HG23 H 1 0.581 0.001 . 1 . . . A 367 ILE HG23 . 17502 1 656 . 1 1 54 54 ILE HD11 H 1 0.710 0.001 . 1 . . . A 367 ILE HD11 . 17502 1 657 . 1 1 54 54 ILE HD12 H 1 0.710 0.001 . 1 . . . A 367 ILE HD12 . 17502 1 658 . 1 1 54 54 ILE HD13 H 1 0.710 0.001 . 1 . . . A 367 ILE HD13 . 17502 1 659 . 1 1 54 54 ILE C C 13 175.477 0.000 . 1 . . . A 367 ILE C . 17502 1 660 . 1 1 54 54 ILE CA C 13 62.468 0.041 . 1 . . . A 367 ILE CA . 17502 1 661 . 1 1 54 54 ILE CB C 13 38.612 0.000 . 1 . . . A 367 ILE CB . 17502 1 662 . 1 1 54 54 ILE CG1 C 13 27.741 0.021 . 1 . . . A 367 ILE CG1 . 17502 1 663 . 1 1 54 54 ILE CG2 C 13 17.124 0.000 . 1 . . . A 367 ILE CG2 . 17502 1 664 . 1 1 54 54 ILE CD1 C 13 14.408 0.000 . 1 . . . A 367 ILE CD1 . 17502 1 665 . 1 1 54 54 ILE N N 15 127.405 0.000 . 1 . . . A 367 ILE N . 17502 1 666 . 1 1 55 55 LEU H H 1 9.149 0.002 . 1 . . . A 368 LEU H . 17502 1 667 . 1 1 55 55 LEU HA H 1 4.303 0.002 . 1 . . . A 368 LEU HA . 17502 1 668 . 1 1 55 55 LEU HB2 H 1 1.509 0.004 . 2 . . . A 368 LEU HB2 . 17502 1 669 . 1 1 55 55 LEU HB3 H 1 1.382 0.002 . 2 . . . A 368 LEU HB3 . 17502 1 670 . 1 1 55 55 LEU HG H 1 1.547 0.003 . 1 . . . A 368 LEU HG . 17502 1 671 . 1 1 55 55 LEU HD11 H 1 1.031 0.001 . 2 . . . A 368 LEU HD11 . 17502 1 672 . 1 1 55 55 LEU HD12 H 1 1.031 0.001 . 2 . . . A 368 LEU HD12 . 17502 1 673 . 1 1 55 55 LEU HD13 H 1 1.031 0.001 . 2 . . . A 368 LEU HD13 . 17502 1 674 . 1 1 55 55 LEU HD21 H 1 0.868 0.002 . 2 . . . A 368 LEU HD21 . 17502 1 675 . 1 1 55 55 LEU HD22 H 1 0.868 0.002 . 2 . . . A 368 LEU HD22 . 17502 1 676 . 1 1 55 55 LEU HD23 H 1 0.868 0.002 . 2 . . . A 368 LEU HD23 . 17502 1 677 . 1 1 55 55 LEU C C 13 177.464 0.000 . 1 . . . A 368 LEU C . 17502 1 678 . 1 1 55 55 LEU CA C 13 55.577 0.013 . 1 . . . A 368 LEU CA . 17502 1 679 . 1 1 55 55 LEU CB C 13 43.266 0.006 . 1 . . . A 368 LEU CB . 17502 1 680 . 1 1 55 55 LEU CG C 13 27.590 0.000 . 1 . . . A 368 LEU CG . 17502 1 681 . 1 1 55 55 LEU CD1 C 13 26.223 0.000 . 2 . . . A 368 LEU CD1 . 17502 1 682 . 1 1 55 55 LEU CD2 C 13 22.854 0.000 . 2 . . . A 368 LEU CD2 . 17502 1 683 . 1 1 55 55 LEU N N 15 128.174 0.000 . 1 . . . A 368 LEU N . 17502 1 684 . 1 1 56 56 ASP H H 1 7.641 0.002 . 1 . . . A 369 ASP H . 17502 1 685 . 1 1 56 56 ASP HA H 1 4.782 0.002 . 1 . . . A 369 ASP HA . 17502 1 686 . 1 1 56 56 ASP HB2 H 1 2.647 0.002 . 2 . . . A 369 ASP HB2 . 17502 1 687 . 1 1 56 56 ASP HB3 H 1 2.514 0.003 . 2 . . . A 369 ASP HB3 . 17502 1 688 . 1 1 56 56 ASP CA C 13 54.461 0.000 . 1 . . . A 369 ASP CA . 17502 1 689 . 1 1 56 56 ASP CB C 13 44.868 0.030 . 1 . . . A 369 ASP CB . 17502 1 690 . 1 1 56 56 ASP CG C 13 179.652 0.000 . 1 . . . A 369 ASP CG . 17502 1 691 . 1 1 56 56 ASP N N 15 116.574 0.000 . 1 . . . A 369 ASP N . 17502 1 692 . 1 1 57 57 PHE H H 1 8.481 0.001 . 1 . . . A 370 PHE H . 17502 1 693 . 1 1 57 57 PHE HA H 1 5.019 0.001 . 1 . . . A 370 PHE HA . 17502 1 694 . 1 1 57 57 PHE HB2 H 1 2.970 0.004 . 2 . . . A 370 PHE HB2 . 17502 1 695 . 1 1 57 57 PHE HB3 H 1 2.799 0.002 . 2 . . . A 370 PHE HB3 . 17502 1 696 . 1 1 57 57 PHE HD1 H 1 7.252 0.002 . 1 . . . A 370 PHE HD1 . 17502 1 697 . 1 1 57 57 PHE HD2 H 1 7.098 0.001 . 1 . . . A 370 PHE HD2 . 17502 1 698 . 1 1 57 57 PHE HE1 H 1 6.911 0.001 . 1 . . . A 370 PHE HE1 . 17502 1 699 . 1 1 57 57 PHE HE2 H 1 6.890 0.000 . 1 . . . A 370 PHE HE2 . 17502 1 700 . 1 1 57 57 PHE HZ H 1 7.387 0.002 . 1 . . . A 370 PHE HZ . 17502 1 701 . 1 1 57 57 PHE C C 13 173.193 0.000 . 1 . . . A 370 PHE C . 17502 1 702 . 1 1 57 57 PHE CA C 13 56.784 0.026 . 1 . . . A 370 PHE CA . 17502 1 703 . 1 1 57 57 PHE CB C 13 42.236 0.004 . 1 . . . A 370 PHE CB . 17502 1 704 . 1 1 57 57 PHE CD1 C 13 131.948 0.000 . 1 . . . A 370 PHE CD1 . 17502 1 705 . 1 1 57 57 PHE CD2 C 13 131.962 0.000 . 1 . . . A 370 PHE CD2 . 17502 1 706 . 1 1 57 57 PHE CE1 C 13 128.504 0.000 . 1 . . . A 370 PHE CE1 . 17502 1 707 . 1 1 57 57 PHE CE2 C 13 129.087 0.000 . 1 . . . A 370 PHE CE2 . 17502 1 708 . 1 1 57 57 PHE CZ C 13 131.442 0.000 . 1 . . . A 370 PHE CZ . 17502 1 709 . 1 1 57 57 PHE N N 15 126.099 0.000 . 1 . . . A 370 PHE N . 17502 1 710 . 1 1 58 58 LYS H H 1 7.963 0.002 . 1 . . . A 371 LYS H . 17502 1 711 . 1 1 58 58 LYS HA H 1 4.378 0.002 . 1 . . . A 371 LYS HA . 17502 1 712 . 1 1 58 58 LYS HB2 H 1 1.746 0.002 . 2 . . . A 371 LYS HB2 . 17502 1 713 . 1 1 58 58 LYS HB3 H 1 1.593 0.003 . 2 . . . A 371 LYS HB3 . 17502 1 714 . 1 1 58 58 LYS HG2 H 1 1.290 0.001 . 2 . . . A 371 LYS HG2 . 17502 1 715 . 1 1 58 58 LYS HG3 H 1 1.254 0.002 . 2 . . . A 371 LYS HG3 . 17502 1 716 . 1 1 58 58 LYS C C 13 173.008 0.000 . 1 . . . A 371 LYS C . 17502 1 717 . 1 1 58 58 LYS CA C 13 54.182 0.052 . 1 . . . A 371 LYS CA . 17502 1 718 . 1 1 58 58 LYS CB C 13 35.526 0.024 . 1 . . . A 371 LYS CB . 17502 1 719 . 1 1 58 58 LYS CG C 13 24.423 0.008 . 1 . . . A 371 LYS CG . 17502 1 720 . 1 1 58 58 LYS N N 15 127.145 0.000 . 1 . . . A 371 LYS N . 17502 1 721 . 1 1 59 59 HIS H H 1 8.576 0.001 . 1 . . . A 372 HIS H . 17502 1 722 . 1 1 59 59 HIS HA H 1 4.881 0.004 . 1 . . . A 372 HIS HA . 17502 1 723 . 1 1 59 59 HIS HB2 H 1 3.030 0.002 . 2 . . . A 372 HIS HB2 . 17502 1 724 . 1 1 59 59 HIS HB3 H 1 2.682 0.002 . 2 . . . A 372 HIS HB3 . 17502 1 725 . 1 1 59 59 HIS HD2 H 1 6.811 0.001 . 1 . . . A 372 HIS HD2 . 17502 1 726 . 1 1 59 59 HIS HE1 H 1 7.751 0.002 . 1 . . . A 372 HIS HE1 . 17502 1 727 . 1 1 59 59 HIS C C 13 173.395 0.000 . 1 . . . A 372 HIS C . 17502 1 728 . 1 1 59 59 HIS CA C 13 53.183 0.019 . 1 . . . A 372 HIS CA . 17502 1 729 . 1 1 59 59 HIS CB C 13 35.668 0.026 . 1 . . . A 372 HIS CB . 17502 1 730 . 1 1 59 59 HIS CD2 C 13 115.300 0.000 . 1 . . . A 372 HIS CD2 . 17502 1 731 . 1 1 59 59 HIS CE1 C 13 138.191 0.000 . 1 . . . A 372 HIS CE1 . 17502 1 732 . 1 1 59 59 HIS N N 15 125.573 0.000 . 1 . . . A 372 HIS N . 17502 1 733 . 1 1 60 60 TYR H H 1 8.622 0.002 . 1 . . . A 373 TYR H . 17502 1 734 . 1 1 60 60 TYR HA H 1 5.017 0.002 . 1 . . . A 373 TYR HA . 17502 1 735 . 1 1 60 60 TYR HB2 H 1 3.251 0.003 . 2 . . . A 373 TYR HB2 . 17502 1 736 . 1 1 60 60 TYR HB3 H 1 2.898 0.001 . 2 . . . A 373 TYR HB3 . 17502 1 737 . 1 1 60 60 TYR HD1 H 1 7.192 0.003 . 3 . . . A 373 TYR HD1 . 17502 1 738 . 1 1 60 60 TYR HD2 H 1 7.192 0.003 . 3 . . . A 373 TYR HD2 . 17502 1 739 . 1 1 60 60 TYR HE1 H 1 6.802 0.001 . 3 . . . A 373 TYR HE1 . 17502 1 740 . 1 1 60 60 TYR HE2 H 1 6.802 0.001 . 3 . . . A 373 TYR HE2 . 17502 1 741 . 1 1 60 60 TYR CA C 13 54.397 0.000 . 1 . . . A 373 TYR CA . 17502 1 742 . 1 1 60 60 TYR CB C 13 37.897 0.030 . 1 . . . A 373 TYR CB . 17502 1 743 . 1 1 60 60 TYR CD1 C 13 133.266 0.000 . 3 . . . A 373 TYR CD1 . 17502 1 744 . 1 1 60 60 TYR CD2 C 13 133.266 0.000 . 3 . . . A 373 TYR CD2 . 17502 1 745 . 1 1 60 60 TYR CE1 C 13 118.027 0.000 . 3 . . . A 373 TYR CE1 . 17502 1 746 . 1 1 60 60 TYR CE2 C 13 118.027 0.000 . 3 . . . A 373 TYR CE2 . 17502 1 747 . 1 1 60 60 TYR N N 15 126.773 0.000 . 1 . . . A 373 TYR N . 17502 1 748 . 1 1 61 61 PRO HA H 1 3.946 0.002 . 1 . . . A 374 PRO HA . 17502 1 749 . 1 1 61 61 PRO HB2 H 1 2.358 0.002 . 2 . . . A 374 PRO HB2 . 17502 1 750 . 1 1 61 61 PRO HB3 H 1 2.024 0.002 . 2 . . . A 374 PRO HB3 . 17502 1 751 . 1 1 61 61 PRO HG2 H 1 1.451 0.004 . 2 . . . A 374 PRO HG2 . 17502 1 752 . 1 1 61 61 PRO HG3 H 1 2.024 0.002 . 2 . . . A 374 PRO HG3 . 17502 1 753 . 1 1 61 61 PRO HD2 H 1 2.770 0.004 . 2 . . . A 374 PRO HD2 . 17502 1 754 . 1 1 61 61 PRO HD3 H 1 3.746 0.004 . 2 . . . A 374 PRO HD3 . 17502 1 755 . 1 1 61 61 PRO C C 13 179.521 0.000 . 1 . . . A 374 PRO C . 17502 1 756 . 1 1 61 61 PRO CA C 13 65.382 0.004 . 1 . . . A 374 PRO CA . 17502 1 757 . 1 1 61 61 PRO CB C 13 31.992 0.000 . 1 . . . A 374 PRO CB . 17502 1 758 . 1 1 61 61 PRO CG C 13 27.011 0.017 . 1 . . . A 374 PRO CG . 17502 1 759 . 1 1 61 61 PRO CD C 13 50.505 0.017 . 1 . . . A 374 PRO CD . 17502 1 760 . 1 1 62 62 GLU H H 1 9.477 0.001 . 1 . . . A 375 GLU H . 17502 1 761 . 1 1 62 62 GLU HA H 1 4.089 0.004 . 1 . . . A 375 GLU HA . 17502 1 762 . 1 1 62 62 GLU HB2 H 1 2.132 0.001 . 2 . . . A 375 GLU HB2 . 17502 1 763 . 1 1 62 62 GLU HB3 H 1 2.055 0.005 . 2 . . . A 375 GLU HB3 . 17502 1 764 . 1 1 62 62 GLU HG2 H 1 2.292 0.001 . 2 . . . A 375 GLU HG2 . 17502 1 765 . 1 1 62 62 GLU HG3 H 1 2.458 0.002 . 2 . . . A 375 GLU HG3 . 17502 1 766 . 1 1 62 62 GLU C C 13 177.302 0.000 . 1 . . . A 375 GLU C . 17502 1 767 . 1 1 62 62 GLU CA C 13 58.539 0.036 . 1 . . . A 375 GLU CA . 17502 1 768 . 1 1 62 62 GLU CB C 13 28.284 0.000 . 1 . . . A 375 GLU CB . 17502 1 769 . 1 1 62 62 GLU CG C 13 36.404 0.015 . 1 . . . A 375 GLU CG . 17502 1 770 . 1 1 62 62 GLU CD C 13 183.917 0.000 . 1 . . . A 375 GLU CD . 17502 1 771 . 1 1 62 62 GLU N N 15 116.402 0.000 . 1 . . . A 375 GLU N . 17502 1 772 . 1 1 63 63 LYS H H 1 7.443 0.003 . 1 . . . A 376 LYS H . 17502 1 773 . 1 1 63 63 LYS HA H 1 4.567 0.003 . 1 . . . A 376 LYS HA . 17502 1 774 . 1 1 63 63 LYS HB2 H 1 2.177 0.003 . 2 . . . A 376 LYS HB2 . 17502 1 775 . 1 1 63 63 LYS HB3 H 1 1.928 0.005 . 2 . . . A 376 LYS HB3 . 17502 1 776 . 1 1 63 63 LYS HG2 H 1 1.488 0.005 . 2 . . . A 376 LYS HG2 . 17502 1 777 . 1 1 63 63 LYS HG3 H 1 1.452 0.003 . 2 . . . A 376 LYS HG3 . 17502 1 778 . 1 1 63 63 LYS HD2 H 1 1.620 0.005 . 2 . . . A 376 LYS HD2 . 17502 1 779 . 1 1 63 63 LYS HD3 H 1 1.478 0.002 . 2 . . . A 376 LYS HD3 . 17502 1 780 . 1 1 63 63 LYS HE2 H 1 2.888 0.003 . 2 . . . A 376 LYS HE2 . 17502 1 781 . 1 1 63 63 LYS C C 13 177.231 0.000 . 1 . . . A 376 LYS C . 17502 1 782 . 1 1 63 63 LYS CA C 13 55.251 0.037 . 1 . . . A 376 LYS CA . 17502 1 783 . 1 1 63 63 LYS CB C 13 34.463 0.007 . 1 . . . A 376 LYS CB . 17502 1 784 . 1 1 63 63 LYS CG C 13 25.374 0.012 . 1 . . . A 376 LYS CG . 17502 1 785 . 1 1 63 63 LYS CD C 13 28.873 0.029 . 1 . . . A 376 LYS CD . 17502 1 786 . 1 1 63 63 LYS CE C 13 41.798 0.000 . 1 . . . A 376 LYS CE . 17502 1 787 . 1 1 63 63 LYS N N 15 116.602 0.000 . 1 . . . A 376 LYS N . 17502 1 788 . 1 1 64 64 GLY H H 1 8.032 0.003 . 1 . . . A 377 GLY H . 17502 1 789 . 1 1 64 64 GLY HA2 H 1 4.201 0.002 . 2 . . . A 377 GLY HA2 . 17502 1 790 . 1 1 64 64 GLY HA3 H 1 4.108 0.002 . 2 . . . A 377 GLY HA3 . 17502 1 791 . 1 1 64 64 GLY C C 13 173.754 0.000 . 1 . . . A 377 GLY C . 17502 1 792 . 1 1 64 64 GLY CA C 13 47.503 0.039 . 1 . . . A 377 GLY CA . 17502 1 793 . 1 1 64 64 GLY N N 15 109.589 0.000 . 1 . . . A 377 GLY N . 17502 1 794 . 1 1 65 65 CYS H H 1 7.634 0.002 . 1 . . . A 378 CYS H . 17502 1 795 . 1 1 65 65 CYS HA H 1 6.033 0.002 . 1 . . . A 378 CYS HA . 17502 1 796 . 1 1 65 65 CYS HB2 H 1 2.932 0.004 . 2 . . . A 378 CYS HB2 . 17502 1 797 . 1 1 65 65 CYS HB3 H 1 2.903 0.002 . 2 . . . A 378 CYS HB3 . 17502 1 798 . 1 1 65 65 CYS CA C 13 54.773 0.000 . 1 . . . A 378 CYS CA . 17502 1 799 . 1 1 65 65 CYS CB C 13 33.001 0.004 . 1 . . . A 378 CYS CB . 17502 1 800 . 1 1 65 65 CYS N N 15 110.256 0.000 . 1 . . . A 378 CYS N . 17502 1 801 . 1 1 66 66 CYS H H 1 9.086 0.002 . 1 . . . A 379 CYS H . 17502 1 802 . 1 1 66 66 CYS HA H 1 5.382 0.001 . 1 . . . A 379 CYS HA . 17502 1 803 . 1 1 66 66 CYS HB2 H 1 2.541 0.002 . 2 . . . A 379 CYS HB2 . 17502 1 804 . 1 1 66 66 CYS HB3 H 1 2.445 0.006 . 2 . . . A 379 CYS HB3 . 17502 1 805 . 1 1 66 66 CYS HG H 1 0.999 0.003 . 1 . . . A 379 CYS HG . 17502 1 806 . 1 1 66 66 CYS C C 13 170.869 0.000 . 1 . . . A 379 CYS C . 17502 1 807 . 1 1 66 66 CYS CA C 13 56.591 0.055 . 1 . . . A 379 CYS CA . 17502 1 808 . 1 1 66 66 CYS CB C 13 32.364 0.000 . 1 . . . A 379 CYS CB . 17502 1 809 . 1 1 66 66 CYS N N 15 116.386 0.000 . 1 . . . A 379 CYS N . 17502 1 810 . 1 1 67 67 PHE H H 1 8.684 0.001 . 1 . . . A 380 PHE H . 17502 1 811 . 1 1 67 67 PHE HA H 1 5.400 0.002 . 1 . . . A 380 PHE HA . 17502 1 812 . 1 1 67 67 PHE HB2 H 1 2.862 0.002 . 2 . . . A 380 PHE HB2 . 17502 1 813 . 1 1 67 67 PHE HB3 H 1 2.781 0.005 . 2 . . . A 380 PHE HB3 . 17502 1 814 . 1 1 67 67 PHE HD1 H 1 7.219 0.002 . 3 . . . A 380 PHE HD1 . 17502 1 815 . 1 1 67 67 PHE HD2 H 1 7.219 0.002 . 3 . . . A 380 PHE HD2 . 17502 1 816 . 1 1 67 67 PHE HE1 H 1 7.440 0.001 . 3 . . . A 380 PHE HE1 . 17502 1 817 . 1 1 67 67 PHE HE2 H 1 7.440 0.001 . 3 . . . A 380 PHE HE2 . 17502 1 818 . 1 1 67 67 PHE HZ H 1 7.346 0.001 . 1 . . . A 380 PHE HZ . 17502 1 819 . 1 1 67 67 PHE C C 13 175.249 0.000 . 1 . . . A 380 PHE C . 17502 1 820 . 1 1 67 67 PHE CA C 13 56.388 0.019 . 1 . . . A 380 PHE CA . 17502 1 821 . 1 1 67 67 PHE CB C 13 42.010 0.008 . 1 . . . A 380 PHE CB . 17502 1 822 . 1 1 67 67 PHE CD1 C 13 131.473 0.000 . 3 . . . A 380 PHE CD1 . 17502 1 823 . 1 1 67 67 PHE CD2 C 13 131.473 0.000 . 3 . . . A 380 PHE CD2 . 17502 1 824 . 1 1 67 67 PHE CE1 C 13 131.624 0.000 . 3 . . . A 380 PHE CE1 . 17502 1 825 . 1 1 67 67 PHE CE2 C 13 131.624 0.000 . 3 . . . A 380 PHE CE2 . 17502 1 826 . 1 1 67 67 PHE CZ C 13 130.391 0.000 . 1 . . . A 380 PHE CZ . 17502 1 827 . 1 1 67 67 PHE N N 15 117.723 0.000 . 1 . . . A 380 PHE N . 17502 1 828 . 1 1 68 68 ILE H H 1 9.155 0.002 . 1 . . . A 381 ILE H . 17502 1 829 . 1 1 68 68 ILE HA H 1 4.565 0.004 . 1 . . . A 381 ILE HA . 17502 1 830 . 1 1 68 68 ILE HB H 1 1.562 0.002 . 1 . . . A 381 ILE HB . 17502 1 831 . 1 1 68 68 ILE HG12 H 1 0.785 0.001 . 2 . . . A 381 ILE HG12 . 17502 1 832 . 1 1 68 68 ILE HG13 H 1 0.430 0.004 . 2 . . . A 381 ILE HG13 . 17502 1 833 . 1 1 68 68 ILE HG21 H 1 0.210 0.004 . 1 . . . A 381 ILE HG21 . 17502 1 834 . 1 1 68 68 ILE HG22 H 1 0.210 0.004 . 1 . . . A 381 ILE HG22 . 17502 1 835 . 1 1 68 68 ILE HG23 H 1 0.210 0.004 . 1 . . . A 381 ILE HG23 . 17502 1 836 . 1 1 68 68 ILE HD11 H 1 -0.016 0.001 . 1 . . . A 381 ILE HD11 . 17502 1 837 . 1 1 68 68 ILE HD12 H 1 -0.016 0.001 . 1 . . . A 381 ILE HD12 . 17502 1 838 . 1 1 68 68 ILE HD13 H 1 -0.016 0.001 . 1 . . . A 381 ILE HD13 . 17502 1 839 . 1 1 68 68 ILE C C 13 173.484 0.000 . 1 . . . A 381 ILE C . 17502 1 840 . 1 1 68 68 ILE CA C 13 59.498 0.001 . 1 . . . A 381 ILE CA . 17502 1 841 . 1 1 68 68 ILE CB C 13 40.618 0.000 . 1 . . . A 381 ILE CB . 17502 1 842 . 1 1 68 68 ILE CG1 C 13 27.882 0.009 . 1 . . . A 381 ILE CG1 . 17502 1 843 . 1 1 68 68 ILE CG2 C 13 20.247 0.000 . 1 . . . A 381 ILE CG2 . 17502 1 844 . 1 1 68 68 ILE CD1 C 13 15.593 0.000 . 1 . . . A 381 ILE CD1 . 17502 1 845 . 1 1 68 68 ILE N N 15 124.321 0.000 . 1 . . . A 381 ILE N . 17502 1 846 . 1 1 69 69 LYS H H 1 8.904 0.002 . 1 . . . A 382 LYS H . 17502 1 847 . 1 1 69 69 LYS HA H 1 4.860 0.005 . 1 . . . A 382 LYS HA . 17502 1 848 . 1 1 69 69 LYS HB2 H 1 1.839 0.002 . 2 . . . A 382 LYS HB2 . 17502 1 849 . 1 1 69 69 LYS HB3 H 1 1.700 0.002 . 2 . . . A 382 LYS HB3 . 17502 1 850 . 1 1 69 69 LYS HG2 H 1 1.611 0.003 . 2 . . . A 382 LYS HG2 . 17502 1 851 . 1 1 69 69 LYS HG3 H 1 1.197 0.001 . 2 . . . A 382 LYS HG3 . 17502 1 852 . 1 1 69 69 LYS HE2 H 1 3.021 0.001 . 2 . . . A 382 LYS HE2 . 17502 1 853 . 1 1 69 69 LYS HE3 H 1 2.937 0.001 . 2 . . . A 382 LYS HE3 . 17502 1 854 . 1 1 69 69 LYS C C 13 175.430 0.000 . 1 . . . A 382 LYS C . 17502 1 855 . 1 1 69 69 LYS CA C 13 55.858 0.025 . 1 . . . A 382 LYS CA . 17502 1 856 . 1 1 69 69 LYS N N 15 128.801 0.000 . 1 . . . A 382 LYS N . 17502 1 857 . 1 1 70 70 TYR H H 1 8.910 0.003 . 1 . . . A 383 TYR H . 17502 1 858 . 1 1 70 70 TYR HA H 1 5.313 0.002 . 1 . . . A 383 TYR HA . 17502 1 859 . 1 1 70 70 TYR HB2 H 1 3.955 0.003 . 2 . . . A 383 TYR HB2 . 17502 1 860 . 1 1 70 70 TYR HB3 H 1 3.076 0.002 . 2 . . . A 383 TYR HB3 . 17502 1 861 . 1 1 70 70 TYR HD1 H 1 6.947 0.002 . 3 . . . A 383 TYR HD1 . 17502 1 862 . 1 1 70 70 TYR HD2 H 1 6.947 0.002 . 3 . . . A 383 TYR HD2 . 17502 1 863 . 1 1 70 70 TYR HE1 H 1 6.576 0.001 . 3 . . . A 383 TYR HE1 . 17502 1 864 . 1 1 70 70 TYR HE2 H 1 6.576 0.001 . 3 . . . A 383 TYR HE2 . 17502 1 865 . 1 1 70 70 TYR HH H 1 8.688 0.003 . 1 . . . A 383 TYR HH . 17502 1 866 . 1 1 70 70 TYR C C 13 176.550 0.000 . 1 . . . A 383 TYR C . 17502 1 867 . 1 1 70 70 TYR CA C 13 58.902 0.002 . 1 . . . A 383 TYR CA . 17502 1 868 . 1 1 70 70 TYR CB C 13 41.657 0.035 . 1 . . . A 383 TYR CB . 17502 1 869 . 1 1 70 70 TYR CD1 C 13 132.356 0.000 . 3 . . . A 383 TYR CD1 . 17502 1 870 . 1 1 70 70 TYR CD2 C 13 132.356 0.000 . 3 . . . A 383 TYR CD2 . 17502 1 871 . 1 1 70 70 TYR CE1 C 13 117.284 0.000 . 3 . . . A 383 TYR CE1 . 17502 1 872 . 1 1 70 70 TYR CE2 C 13 117.284 0.000 . 3 . . . A 383 TYR CE2 . 17502 1 873 . 1 1 70 70 TYR N N 15 127.054 0.000 . 1 . . . A 383 TYR N . 17502 1 874 . 1 1 71 71 ASP H H 1 8.707 0.002 . 1 . . . A 384 ASP H . 17502 1 875 . 1 1 71 71 ASP HA H 1 4.794 0.001 . 1 . . . A 384 ASP HA . 17502 1 876 . 1 1 71 71 ASP HB2 H 1 3.305 0.004 . 2 . . . A 384 ASP HB2 . 17502 1 877 . 1 1 71 71 ASP HB3 H 1 3.069 0.002 . 2 . . . A 384 ASP HB3 . 17502 1 878 . 1 1 71 71 ASP C C 13 177.039 0.000 . 1 . . . A 384 ASP C . 17502 1 879 . 1 1 71 71 ASP CA C 13 57.252 0.014 . 1 . . . A 384 ASP CA . 17502 1 880 . 1 1 71 71 ASP CB C 13 43.518 0.028 . 1 . . . A 384 ASP CB . 17502 1 881 . 1 1 71 71 ASP CG C 13 178.187 0.000 . 1 . . . A 384 ASP CG . 17502 1 882 . 1 1 71 71 ASP N N 15 119.792 0.000 . 1 . . . A 384 ASP N . 17502 1 883 . 1 1 72 72 THR H H 1 7.463 0.002 . 1 . . . A 385 THR H . 17502 1 884 . 1 1 72 72 THR HA H 1 5.151 0.003 . 1 . . . A 385 THR HA . 17502 1 885 . 1 1 72 72 THR HB H 1 4.835 0.002 . 1 . . . A 385 THR HB . 17502 1 886 . 1 1 72 72 THR HG1 H 1 5.592 0.001 . 1 . . . A 385 THR HG1 . 17502 1 887 . 1 1 72 72 THR HG21 H 1 1.295 0.002 . 1 . . . A 385 THR HG21 . 17502 1 888 . 1 1 72 72 THR HG22 H 1 1.295 0.002 . 1 . . . A 385 THR HG22 . 17502 1 889 . 1 1 72 72 THR HG23 H 1 1.295 0.002 . 1 . . . A 385 THR HG23 . 17502 1 890 . 1 1 72 72 THR C C 13 174.572 0.000 . 1 . . . A 385 THR C . 17502 1 891 . 1 1 72 72 THR CA C 13 58.281 0.010 . 1 . . . A 385 THR CA . 17502 1 892 . 1 1 72 72 THR CB C 13 72.892 0.000 . 1 . . . A 385 THR CB . 17502 1 893 . 1 1 72 72 THR N N 15 100.925 0.000 . 1 . . . A 385 THR N . 17502 1 894 . 1 1 73 73 HIS H H 1 9.286 0.003 . 1 . . . A 386 HIS H . 17502 1 895 . 1 1 73 73 HIS HA H 1 4.478 0.003 . 1 . . . A 386 HIS HA . 17502 1 896 . 1 1 73 73 HIS HB2 H 1 3.682 0.004 . 2 . . . A 386 HIS HB2 . 17502 1 897 . 1 1 73 73 HIS HB3 H 1 3.378 0.004 . 2 . . . A 386 HIS HB3 . 17502 1 898 . 1 1 73 73 HIS HD2 H 1 7.460 0.001 . 1 . . . A 386 HIS HD2 . 17502 1 899 . 1 1 73 73 HIS C C 13 175.967 0.000 . 1 . . . A 386 HIS C . 17502 1 900 . 1 1 73 73 HIS CA C 13 59.145 0.061 . 1 . . . A 386 HIS CA . 17502 1 901 . 1 1 73 73 HIS CB C 13 29.002 0.000 . 1 . . . A 386 HIS CB . 17502 1 902 . 1 1 73 73 HIS CD2 C 13 119.908 0.000 . 1 . . . A 386 HIS CD2 . 17502 1 903 . 1 1 73 73 HIS N N 15 121.525 0.000 . 1 . . . A 386 HIS N . 17502 1 904 . 1 1 74 74 GLU H H 1 8.975 0.003 . 1 . . . A 387 GLU H . 17502 1 905 . 1 1 74 74 GLU HA H 1 3.852 0.002 . 1 . . . A 387 GLU HA . 17502 1 906 . 1 1 74 74 GLU HB2 H 1 2.211 0.001 . 2 . . . A 387 GLU HB2 . 17502 1 907 . 1 1 74 74 GLU HB3 H 1 2.045 0.005 . 2 . . . A 387 GLU HB3 . 17502 1 908 . 1 1 74 74 GLU HG2 H 1 2.494 0.002 . 2 . . . A 387 GLU HG2 . 17502 1 909 . 1 1 74 74 GLU HG3 H 1 2.247 0.002 . 2 . . . A 387 GLU HG3 . 17502 1 910 . 1 1 74 74 GLU C C 13 177.567 0.000 . 1 . . . A 387 GLU C . 17502 1 911 . 1 1 74 74 GLU CA C 13 60.776 0.024 . 1 . . . A 387 GLU CA . 17502 1 912 . 1 1 74 74 GLU CB C 13 29.062 0.003 . 1 . . . A 387 GLU CB . 17502 1 913 . 1 1 74 74 GLU CG C 13 37.587 0.041 . 1 . . . A 387 GLU CG . 17502 1 914 . 1 1 74 74 GLU CD C 13 184.026 0.000 . 1 . . . A 387 GLU CD . 17502 1 915 . 1 1 74 74 GLU N N 15 118.111 0.000 . 1 . . . A 387 GLU N . 17502 1 916 . 1 1 75 75 GLN H H 1 7.643 0.003 . 1 . . . A 388 GLN H . 17502 1 917 . 1 1 75 75 GLN HA H 1 3.726 0.003 . 1 . . . A 388 GLN HA . 17502 1 918 . 1 1 75 75 GLN HB2 H 1 2.229 0.002 . 2 . . . A 388 GLN HB2 . 17502 1 919 . 1 1 75 75 GLN HB3 H 1 1.533 0.003 . 2 . . . A 388 GLN HB3 . 17502 1 920 . 1 1 75 75 GLN HG2 H 1 2.973 0.002 . 2 . . . A 388 GLN HG2 . 17502 1 921 . 1 1 75 75 GLN HG3 H 1 2.585 0.004 . 2 . . . A 388 GLN HG3 . 17502 1 922 . 1 1 75 75 GLN HE21 H 1 7.323 0.003 . 1 . . . A 388 GLN HE21 . 17502 1 923 . 1 1 75 75 GLN HE22 H 1 7.570 0.002 . 1 . . . A 388 GLN HE22 . 17502 1 924 . 1 1 75 75 GLN C C 13 176.941 0.000 . 1 . . . A 388 GLN C . 17502 1 925 . 1 1 75 75 GLN CA C 13 58.765 0.045 . 1 . . . A 388 GLN CA . 17502 1 926 . 1 1 75 75 GLN CG C 13 34.704 0.018 . 1 . . . A 388 GLN CG . 17502 1 927 . 1 1 75 75 GLN CD C 13 180.995 0.000 . 1 . . . A 388 GLN CD . 17502 1 928 . 1 1 75 75 GLN N N 15 119.005 0.000 . 1 . . . A 388 GLN N . 17502 1 929 . 1 1 75 75 GLN NE2 N 15 109.055 0.002 . 1 . . . A 388 GLN NE2 . 17502 1 930 . 1 1 76 76 ALA H H 1 6.870 0.002 . 1 . . . A 389 ALA H . 17502 1 931 . 1 1 76 76 ALA HA H 1 3.594 0.002 . 1 . . . A 389 ALA HA . 17502 1 932 . 1 1 76 76 ALA HB1 H 1 1.531 0.002 . 1 . . . A 389 ALA HB1 . 17502 1 933 . 1 1 76 76 ALA HB2 H 1 1.531 0.002 . 1 . . . A 389 ALA HB2 . 17502 1 934 . 1 1 76 76 ALA HB3 H 1 1.531 0.002 . 1 . . . A 389 ALA HB3 . 17502 1 935 . 1 1 76 76 ALA C C 13 178.048 0.000 . 1 . . . A 389 ALA C . 17502 1 936 . 1 1 76 76 ALA CA C 13 54.886 0.005 . 1 . . . A 389 ALA CA . 17502 1 937 . 1 1 76 76 ALA CB C 13 18.544 0.000 . 1 . . . A 389 ALA CB . 17502 1 938 . 1 1 76 76 ALA N N 15 117.221 0.000 . 1 . . . A 389 ALA N . 17502 1 939 . 1 1 77 77 ALA H H 1 7.851 0.003 . 1 . . . A 390 ALA H . 17502 1 940 . 1 1 77 77 ALA HA H 1 3.326 0.002 . 1 . . . A 390 ALA HA . 17502 1 941 . 1 1 77 77 ALA HB1 H 1 1.395 0.003 . 1 . . . A 390 ALA HB1 . 17502 1 942 . 1 1 77 77 ALA HB2 H 1 1.395 0.003 . 1 . . . A 390 ALA HB2 . 17502 1 943 . 1 1 77 77 ALA HB3 H 1 1.395 0.003 . 1 . . . A 390 ALA HB3 . 17502 1 944 . 1 1 77 77 ALA C C 13 178.506 0.000 . 1 . . . A 390 ALA C . 17502 1 945 . 1 1 77 77 ALA CA C 13 54.686 0.031 . 1 . . . A 390 ALA CA . 17502 1 946 . 1 1 77 77 ALA CB C 13 19.869 0.000 . 1 . . . A 390 ALA CB . 17502 1 947 . 1 1 77 77 ALA N N 15 117.916 0.000 . 1 . . . A 390 ALA N . 17502 1 948 . 1 1 78 78 VAL H H 1 7.974 0.002 . 1 . . . A 391 VAL H . 17502 1 949 . 1 1 78 78 VAL HA H 1 3.265 0.002 . 1 . . . A 391 VAL HA . 17502 1 950 . 1 1 78 78 VAL HB H 1 2.157 0.002 . 1 . . . A 391 VAL HB . 17502 1 951 . 1 1 78 78 VAL HG11 H 1 1.082 0.002 . 2 . . . A 391 VAL HG11 . 17502 1 952 . 1 1 78 78 VAL HG12 H 1 1.082 0.002 . 2 . . . A 391 VAL HG12 . 17502 1 953 . 1 1 78 78 VAL HG13 H 1 1.082 0.002 . 2 . . . A 391 VAL HG13 . 17502 1 954 . 1 1 78 78 VAL HG21 H 1 0.967 0.003 . 2 . . . A 391 VAL HG21 . 17502 1 955 . 1 1 78 78 VAL HG22 H 1 0.967 0.003 . 2 . . . A 391 VAL HG22 . 17502 1 956 . 1 1 78 78 VAL HG23 H 1 0.967 0.003 . 2 . . . A 391 VAL HG23 . 17502 1 957 . 1 1 78 78 VAL C C 13 176.549 0.000 . 1 . . . A 391 VAL C . 17502 1 958 . 1 1 78 78 VAL CA C 13 67.143 0.017 . 1 . . . A 391 VAL CA . 17502 1 959 . 1 1 78 78 VAL CB C 13 31.299 0.000 . 1 . . . A 391 VAL CB . 17502 1 960 . 1 1 78 78 VAL CG1 C 13 23.794 0.000 . 2 . . . A 391 VAL CG1 . 17502 1 961 . 1 1 78 78 VAL CG2 C 13 22.080 0.000 . 2 . . . A 391 VAL CG2 . 17502 1 962 . 1 1 78 78 VAL N N 15 117.207 0.000 . 1 . . . A 391 VAL N . 17502 1 963 . 1 1 79 79 CYS H H 1 7.284 0.001 . 1 . . . A 392 CYS H . 17502 1 964 . 1 1 79 79 CYS HA H 1 2.417 0.003 . 1 . . . A 392 CYS HA . 17502 1 965 . 1 1 79 79 CYS HB2 H 1 2.967 0.002 . 2 . . . A 392 CYS HB2 . 17502 1 966 . 1 1 79 79 CYS HB3 H 1 2.289 0.003 . 2 . . . A 392 CYS HB3 . 17502 1 967 . 1 1 79 79 CYS HG H 1 1.233 0.002 . 1 . . . A 392 CYS HG . 17502 1 968 . 1 1 79 79 CYS C C 13 174.959 0.000 . 1 . . . A 392 CYS C . 17502 1 969 . 1 1 79 79 CYS CA C 13 61.472 0.058 . 1 . . . A 392 CYS CA . 17502 1 970 . 1 1 79 79 CYS CB C 13 25.894 0.030 . 1 . . . A 392 CYS CB . 17502 1 971 . 1 1 79 79 CYS N N 15 119.412 0.000 . 1 . . . A 392 CYS N . 17502 1 972 . 1 1 80 80 ILE H H 1 7.788 0.003 . 1 . . . A 393 ILE H . 17502 1 973 . 1 1 80 80 ILE HA H 1 2.951 0.002 . 1 . . . A 393 ILE HA . 17502 1 974 . 1 1 80 80 ILE HB H 1 1.396 0.003 . 1 . . . A 393 ILE HB . 17502 1 975 . 1 1 80 80 ILE HG12 H 1 1.348 0.004 . 2 . . . A 393 ILE HG12 . 17502 1 976 . 1 1 80 80 ILE HG13 H 1 0.324 0.005 . 2 . . . A 393 ILE HG13 . 17502 1 977 . 1 1 80 80 ILE HG21 H 1 0.418 0.002 . 1 . . . A 393 ILE HG21 . 17502 1 978 . 1 1 80 80 ILE HG22 H 1 0.418 0.002 . 1 . . . A 393 ILE HG22 . 17502 1 979 . 1 1 80 80 ILE HG23 H 1 0.418 0.002 . 1 . . . A 393 ILE HG23 . 17502 1 980 . 1 1 80 80 ILE HD11 H 1 -0.875 0.000 . 1 . . . A 393 ILE HD11 . 17502 1 981 . 1 1 80 80 ILE HD12 H 1 -0.875 0.000 . 1 . . . A 393 ILE HD12 . 17502 1 982 . 1 1 80 80 ILE HD13 H 1 -0.875 0.000 . 1 . . . A 393 ILE HD13 . 17502 1 983 . 1 1 80 80 ILE C C 13 178.527 0.000 . 1 . . . A 393 ILE C . 17502 1 984 . 1 1 80 80 ILE CA C 13 65.848 0.005 . 1 . . . A 393 ILE CA . 17502 1 985 . 1 1 80 80 ILE CB C 13 37.748 0.000 . 1 . . . A 393 ILE CB . 17502 1 986 . 1 1 80 80 ILE CG1 C 13 30.408 0.004 . 1 . . . A 393 ILE CG1 . 17502 1 987 . 1 1 80 80 ILE CG2 C 13 16.115 0.000 . 1 . . . A 393 ILE CG2 . 17502 1 988 . 1 1 80 80 ILE CD1 C 13 12.078 0.000 . 1 . . . A 393 ILE CD1 . 17502 1 989 . 1 1 80 80 ILE N N 15 116.952 0.000 . 1 . . . A 393 ILE N . 17502 1 990 . 1 1 81 81 VAL H H 1 7.785 0.002 . 1 . . . A 394 VAL H . 17502 1 991 . 1 1 81 81 VAL HA H 1 3.599 0.002 . 1 . . . A 394 VAL HA . 17502 1 992 . 1 1 81 81 VAL HB H 1 1.823 0.003 . 1 . . . A 394 VAL HB . 17502 1 993 . 1 1 81 81 VAL HG11 H 1 0.923 0.002 . 2 . . . A 394 VAL HG11 . 17502 1 994 . 1 1 81 81 VAL HG12 H 1 0.923 0.002 . 2 . . . A 394 VAL HG12 . 17502 1 995 . 1 1 81 81 VAL HG13 H 1 0.923 0.002 . 2 . . . A 394 VAL HG13 . 17502 1 996 . 1 1 81 81 VAL HG21 H 1 0.882 0.003 . 2 . . . A 394 VAL HG21 . 17502 1 997 . 1 1 81 81 VAL HG22 H 1 0.882 0.003 . 2 . . . A 394 VAL HG22 . 17502 1 998 . 1 1 81 81 VAL HG23 H 1 0.882 0.003 . 2 . . . A 394 VAL HG23 . 17502 1 999 . 1 1 81 81 VAL C C 13 178.354 0.000 . 1 . . . A 394 VAL C . 17502 1 1000 . 1 1 81 81 VAL CA C 13 65.888 0.002 . 1 . . . A 394 VAL CA . 17502 1 1001 . 1 1 81 81 VAL CB C 13 32.149 0.000 . 1 . . . A 394 VAL CB . 17502 1 1002 . 1 1 81 81 VAL CG1 C 13 23.676 0.000 . 2 . . . A 394 VAL CG1 . 17502 1 1003 . 1 1 81 81 VAL CG2 C 13 22.231 0.000 . 2 . . . A 394 VAL CG2 . 17502 1 1004 . 1 1 81 81 VAL N N 15 118.437 0.000 . 1 . . . A 394 VAL N . 17502 1 1005 . 1 1 82 82 ALA H H 1 8.942 0.002 . 1 . . . A 395 ALA H . 17502 1 1006 . 1 1 82 82 ALA HA H 1 3.881 0.001 . 1 . . . A 395 ALA HA . 17502 1 1007 . 1 1 82 82 ALA HB1 H 1 1.002 0.001 . 1 . . . A 395 ALA HB1 . 17502 1 1008 . 1 1 82 82 ALA HB2 H 1 1.002 0.001 . 1 . . . A 395 ALA HB2 . 17502 1 1009 . 1 1 82 82 ALA HB3 H 1 1.002 0.001 . 1 . . . A 395 ALA HB3 . 17502 1 1010 . 1 1 82 82 ALA C C 13 179.960 0.000 . 1 . . . A 395 ALA C . 17502 1 1011 . 1 1 82 82 ALA CA C 13 54.937 0.011 . 1 . . . A 395 ALA CA . 17502 1 1012 . 1 1 82 82 ALA CB C 13 20.222 0.000 . 1 . . . A 395 ALA CB . 17502 1 1013 . 1 1 82 82 ALA N N 15 121.715 0.000 . 1 . . . A 395 ALA N . 17502 1 1014 . 1 1 83 83 LEU H H 1 7.713 0.002 . 1 . . . A 396 LEU H . 17502 1 1015 . 1 1 83 83 LEU HA H 1 4.424 0.004 . 1 . . . A 396 LEU HA . 17502 1 1016 . 1 1 83 83 LEU HB2 H 1 1.662 0.003 . 2 . . . A 396 LEU HB2 . 17502 1 1017 . 1 1 83 83 LEU HB3 H 1 1.460 0.004 . 2 . . . A 396 LEU HB3 . 17502 1 1018 . 1 1 83 83 LEU HG H 1 1.463 0.001 . 1 . . . A 396 LEU HG . 17502 1 1019 . 1 1 83 83 LEU HD11 H 1 0.834 0.002 . 2 . . . A 396 LEU HD11 . 17502 1 1020 . 1 1 83 83 LEU HD12 H 1 0.834 0.002 . 2 . . . A 396 LEU HD12 . 17502 1 1021 . 1 1 83 83 LEU HD13 H 1 0.834 0.002 . 2 . . . A 396 LEU HD13 . 17502 1 1022 . 1 1 83 83 LEU HD21 H 1 0.270 0.002 . 2 . . . A 396 LEU HD21 . 17502 1 1023 . 1 1 83 83 LEU HD22 H 1 0.270 0.002 . 2 . . . A 396 LEU HD22 . 17502 1 1024 . 1 1 83 83 LEU HD23 H 1 0.270 0.002 . 2 . . . A 396 LEU HD23 . 17502 1 1025 . 1 1 83 83 LEU C C 13 175.990 0.000 . 1 . . . A 396 LEU C . 17502 1 1026 . 1 1 83 83 LEU CA C 13 53.644 0.043 . 1 . . . A 396 LEU CA . 17502 1 1027 . 1 1 83 83 LEU CB C 13 40.377 0.005 . 1 . . . A 396 LEU CB . 17502 1 1028 . 1 1 83 83 LEU CG C 13 26.126 0.000 . 1 . . . A 396 LEU CG . 17502 1 1029 . 1 1 83 83 LEU CD1 C 13 27.707 0.000 . 2 . . . A 396 LEU CD1 . 17502 1 1030 . 1 1 83 83 LEU CD2 C 13 22.293 0.000 . 2 . . . A 396 LEU CD2 . 17502 1 1031 . 1 1 83 83 LEU N N 15 110.991 0.000 . 1 . . . A 396 LEU N . 17502 1 1032 . 1 1 84 84 ALA H H 1 6.855 0.001 . 1 . . . A 397 ALA H . 17502 1 1033 . 1 1 84 84 ALA HA H 1 3.993 0.004 . 1 . . . A 397 ALA HA . 17502 1 1034 . 1 1 84 84 ALA HB1 H 1 1.429 0.003 . 1 . . . A 397 ALA HB1 . 17502 1 1035 . 1 1 84 84 ALA HB2 H 1 1.429 0.003 . 1 . . . A 397 ALA HB2 . 17502 1 1036 . 1 1 84 84 ALA HB3 H 1 1.429 0.003 . 1 . . . A 397 ALA HB3 . 17502 1 1037 . 1 1 84 84 ALA C C 13 179.257 0.000 . 1 . . . A 397 ALA C . 17502 1 1038 . 1 1 84 84 ALA CA C 13 54.485 0.026 . 1 . . . A 397 ALA CA . 17502 1 1039 . 1 1 84 84 ALA CB C 13 17.586 0.000 . 1 . . . A 397 ALA CB . 17502 1 1040 . 1 1 84 84 ALA N N 15 124.013 0.000 . 1 . . . A 397 ALA N . 17502 1 1041 . 1 1 85 85 ASN H H 1 8.774 0.003 . 1 . . . A 398 ASN H . 17502 1 1042 . 1 1 85 85 ASN HA H 1 4.544 0.003 . 1 . . . A 398 ASN HA . 17502 1 1043 . 1 1 85 85 ASN HB2 H 1 3.208 0.004 . 2 . . . A 398 ASN HB2 . 17502 1 1044 . 1 1 85 85 ASN HB3 H 1 2.872 0.005 . 2 . . . A 398 ASN HB3 . 17502 1 1045 . 1 1 85 85 ASN HD21 H 1 7.707 0.001 . 1 . . . A 398 ASN HD21 . 17502 1 1046 . 1 1 85 85 ASN HD22 H 1 7.018 0.002 . 1 . . . A 398 ASN HD22 . 17502 1 1047 . 1 1 85 85 ASN C C 13 174.637 0.000 . 1 . . . A 398 ASN C . 17502 1 1048 . 1 1 85 85 ASN CA C 13 55.022 0.002 . 1 . . . A 398 ASN CA . 17502 1 1049 . 1 1 85 85 ASN CB C 13 38.654 0.015 . 1 . . . A 398 ASN CB . 17502 1 1050 . 1 1 85 85 ASN CG C 13 178.655 0.000 . 1 . . . A 398 ASN CG . 17502 1 1051 . 1 1 85 85 ASN N N 15 123.776 0.000 . 1 . . . A 398 ASN N . 17502 1 1052 . 1 1 85 85 ASN ND2 N 15 113.804 0.001 . 1 . . . A 398 ASN ND2 . 17502 1 1053 . 1 1 86 86 PHE H H 1 8.057 0.001 . 1 . . . A 399 PHE H . 17502 1 1054 . 1 1 86 86 PHE HA H 1 4.776 0.001 . 1 . . . A 399 PHE HA . 17502 1 1055 . 1 1 86 86 PHE HB2 H 1 3.206 0.002 . 2 . . . A 399 PHE HB2 . 17502 1 1056 . 1 1 86 86 PHE HB3 H 1 2.962 0.004 . 2 . . . A 399 PHE HB3 . 17502 1 1057 . 1 1 86 86 PHE HD1 H 1 7.390 0.001 . 3 . . . A 399 PHE HD1 . 17502 1 1058 . 1 1 86 86 PHE HD2 H 1 7.390 0.001 . 3 . . . A 399 PHE HD2 . 17502 1 1059 . 1 1 86 86 PHE HE1 H 1 7.253 0.001 . 3 . . . A 399 PHE HE1 . 17502 1 1060 . 1 1 86 86 PHE HE2 H 1 7.253 0.001 . 3 . . . A 399 PHE HE2 . 17502 1 1061 . 1 1 86 86 PHE HZ H 1 7.329 0.001 . 1 . . . A 399 PHE HZ . 17502 1 1062 . 1 1 86 86 PHE C C 13 173.810 0.000 . 1 . . . A 399 PHE C . 17502 1 1063 . 1 1 86 86 PHE CA C 13 56.390 0.006 . 1 . . . A 399 PHE CA . 17502 1 1064 . 1 1 86 86 PHE CB C 13 41.646 0.003 . 1 . . . A 399 PHE CB . 17502 1 1065 . 1 1 86 86 PHE N N 15 124.329 0.000 . 1 . . . A 399 PHE N . 17502 1 1066 . 1 1 87 87 PRO HA H 1 4.777 0.001 . 1 . . . A 400 PRO HA . 17502 1 1067 . 1 1 87 87 PRO HB2 H 1 1.760 0.003 . 2 . . . A 400 PRO HB2 . 17502 1 1068 . 1 1 87 87 PRO HG2 H 1 1.931 0.001 . 2 . . . A 400 PRO HG2 . 17502 1 1069 . 1 1 87 87 PRO HG3 H 1 1.790 0.002 . 2 . . . A 400 PRO HG3 . 17502 1 1070 . 1 1 87 87 PRO HD2 H 1 3.852 0.003 . 2 . . . A 400 PRO HD2 . 17502 1 1071 . 1 1 87 87 PRO HD3 H 1 2.793 0.002 . 2 . . . A 400 PRO HD3 . 17502 1 1072 . 1 1 87 87 PRO C C 13 174.902 0.000 . 1 . . . A 400 PRO C . 17502 1 1073 . 1 1 87 87 PRO CA C 13 62.032 0.023 . 1 . . . A 400 PRO CA . 17502 1 1074 . 1 1 87 87 PRO CB C 13 30.904 0.034 . 1 . . . A 400 PRO CB . 17502 1 1075 . 1 1 87 87 PRO CG C 13 27.420 0.021 . 1 . . . A 400 PRO CG . 17502 1 1076 . 1 1 87 87 PRO CD C 13 50.560 0.014 . 1 . . . A 400 PRO CD . 17502 1 1077 . 1 1 88 88 PHE H H 1 9.279 0.003 . 1 . . . A 401 PHE H . 17502 1 1078 . 1 1 88 88 PHE HA H 1 4.596 0.006 . 1 . . . A 401 PHE HA . 17502 1 1079 . 1 1 88 88 PHE HB2 H 1 3.073 0.003 . 2 . . . A 401 PHE HB2 . 17502 1 1080 . 1 1 88 88 PHE HB3 H 1 2.944 0.004 . 2 . . . A 401 PHE HB3 . 17502 1 1081 . 1 1 88 88 PHE HD1 H 1 7.225 0.001 . 3 . . . A 401 PHE HD1 . 17502 1 1082 . 1 1 88 88 PHE HD2 H 1 7.225 0.001 . 3 . . . A 401 PHE HD2 . 17502 1 1083 . 1 1 88 88 PHE HE1 H 1 7.147 0.001 . 3 . . . A 401 PHE HE1 . 17502 1 1084 . 1 1 88 88 PHE HE2 H 1 7.147 0.001 . 3 . . . A 401 PHE HE2 . 17502 1 1085 . 1 1 88 88 PHE HZ H 1 6.971 0.001 . 1 . . . A 401 PHE HZ . 17502 1 1086 . 1 1 88 88 PHE C C 13 173.243 0.000 . 1 . . . A 401 PHE C . 17502 1 1087 . 1 1 88 88 PHE CA C 13 57.555 0.021 . 1 . . . A 401 PHE CA . 17502 1 1088 . 1 1 88 88 PHE CB C 13 42.026 0.018 . 1 . . . A 401 PHE CB . 17502 1 1089 . 1 1 88 88 PHE CZ C 13 129.636 0.000 . 1 . . . A 401 PHE CZ . 17502 1 1090 . 1 1 88 88 PHE N N 15 127.695 0.000 . 1 . . . A 401 PHE N . 17502 1 1091 . 1 1 89 89 GLN H H 1 8.749 0.002 . 1 . . . A 402 GLN H . 17502 1 1092 . 1 1 89 89 GLN HA H 1 3.579 0.002 . 1 . . . A 402 GLN HA . 17502 1 1093 . 1 1 89 89 GLN HB2 H 1 2.182 0.003 . 2 . . . A 402 GLN HB2 . 17502 1 1094 . 1 1 89 89 GLN HB3 H 1 1.567 0.003 . 2 . . . A 402 GLN HB3 . 17502 1 1095 . 1 1 89 89 GLN HG2 H 1 1.631 0.003 . 2 . . . A 402 GLN HG2 . 17502 1 1096 . 1 1 89 89 GLN HG3 H 1 1.147 0.002 . 2 . . . A 402 GLN HG3 . 17502 1 1097 . 1 1 89 89 GLN HE21 H 1 6.733 0.002 . 1 . . . A 402 GLN HE21 . 17502 1 1098 . 1 1 89 89 GLN HE22 H 1 6.448 0.002 . 1 . . . A 402 GLN HE22 . 17502 1 1099 . 1 1 89 89 GLN C C 13 175.410 0.000 . 1 . . . A 402 GLN C . 17502 1 1100 . 1 1 89 89 GLN CA C 13 56.737 0.055 . 1 . . . A 402 GLN CA . 17502 1 1101 . 1 1 89 89 GLN CB C 13 26.568 0.041 . 1 . . . A 402 GLN CB . 17502 1 1102 . 1 1 89 89 GLN CG C 13 33.164 0.024 . 1 . . . A 402 GLN CG . 17502 1 1103 . 1 1 89 89 GLN CD C 13 179.354 0.000 . 1 . . . A 402 GLN CD . 17502 1 1104 . 1 1 89 89 GLN N N 15 122.328 0.000 . 1 . . . A 402 GLN N . 17502 1 1105 . 1 1 89 89 GLN NE2 N 15 107.805 0.002 . 1 . . . A 402 GLN NE2 . 17502 1 1106 . 1 1 90 90 GLY H H 1 8.314 0.004 . 1 . . . A 403 GLY H . 17502 1 1107 . 1 1 90 90 GLY HA2 H 1 4.270 0.002 . 2 . . . A 403 GLY HA2 . 17502 1 1108 . 1 1 90 90 GLY HA3 H 1 3.570 0.002 . 2 . . . A 403 GLY HA3 . 17502 1 1109 . 1 1 90 90 GLY C C 13 174.495 0.000 . 1 . . . A 403 GLY C . 17502 1 1110 . 1 1 90 90 GLY CA C 13 45.192 0.047 . 1 . . . A 403 GLY CA . 17502 1 1111 . 1 1 90 90 GLY N N 15 102.502 0.000 . 1 . . . A 403 GLY N . 17502 1 1112 . 1 1 91 91 ARG H H 1 7.932 0.001 . 1 . . . A 404 ARG H . 17502 1 1113 . 1 1 91 91 ARG HA H 1 4.669 0.002 . 1 . . . A 404 ARG HA . 17502 1 1114 . 1 1 91 91 ARG HB2 H 1 2.100 0.004 . 2 . . . A 404 ARG HB2 . 17502 1 1115 . 1 1 91 91 ARG HB3 H 1 1.908 0.004 . 2 . . . A 404 ARG HB3 . 17502 1 1116 . 1 1 91 91 ARG HG2 H 1 1.662 0.002 . 2 . . . A 404 ARG HG2 . 17502 1 1117 . 1 1 91 91 ARG HG3 H 1 1.613 0.002 . 2 . . . A 404 ARG HG3 . 17502 1 1118 . 1 1 91 91 ARG HD2 H 1 3.102 0.001 . 2 . . . A 404 ARG HD2 . 17502 1 1119 . 1 1 91 91 ARG C C 13 174.335 0.000 . 1 . . . A 404 ARG C . 17502 1 1120 . 1 1 91 91 ARG CA C 13 53.828 0.053 . 1 . . . A 404 ARG CA . 17502 1 1121 . 1 1 91 91 ARG CB C 13 33.704 0.000 . 1 . . . A 404 ARG CB . 17502 1 1122 . 1 1 91 91 ARG CG C 13 27.299 0.001 . 1 . . . A 404 ARG CG . 17502 1 1123 . 1 1 91 91 ARG CD C 13 42.819 0.000 . 1 . . . A 404 ARG CD . 17502 1 1124 . 1 1 91 91 ARG N N 15 120.375 0.000 . 1 . . . A 404 ARG N . 17502 1 1125 . 1 1 92 92 ASN H H 1 8.335 0.002 . 1 . . . A 405 ASN H . 17502 1 1126 . 1 1 92 92 ASN HA H 1 5.162 0.003 . 1 . . . A 405 ASN HA . 17502 1 1127 . 1 1 92 92 ASN HB2 H 1 2.602 0.004 . 2 . . . A 405 ASN HB2 . 17502 1 1128 . 1 1 92 92 ASN HB3 H 1 2.337 0.004 . 2 . . . A 405 ASN HB3 . 17502 1 1129 . 1 1 92 92 ASN HD21 H 1 7.181 0.004 . 1 . . . A 405 ASN HD21 . 17502 1 1130 . 1 1 92 92 ASN HD22 H 1 6.894 0.002 . 1 . . . A 405 ASN HD22 . 17502 1 1131 . 1 1 92 92 ASN C C 13 175.333 0.000 . 1 . . . A 405 ASN C . 17502 1 1132 . 1 1 92 92 ASN CA C 13 52.562 0.042 . 1 . . . A 405 ASN CA . 17502 1 1133 . 1 1 92 92 ASN CB C 13 38.963 0.002 . 1 . . . A 405 ASN CB . 17502 1 1134 . 1 1 92 92 ASN N N 15 118.928 0.000 . 1 . . . A 405 ASN N . 17502 1 1135 . 1 1 92 92 ASN ND2 N 15 110.302 0.003 . 1 . . . A 405 ASN ND2 . 17502 1 1136 . 1 1 93 93 LEU H H 1 9.296 0.002 . 1 . . . A 406 LEU H . 17502 1 1137 . 1 1 93 93 LEU HA H 1 4.488 0.001 . 1 . . . A 406 LEU HA . 17502 1 1138 . 1 1 93 93 LEU HB2 H 1 1.380 0.001 . 2 . . . A 406 LEU HB2 . 17502 1 1139 . 1 1 93 93 LEU HB3 H 1 2.514 0.003 . 2 . . . A 406 LEU HB3 . 17502 1 1140 . 1 1 93 93 LEU HG H 1 2.409 0.004 . 1 . . . A 406 LEU HG . 17502 1 1141 . 1 1 93 93 LEU HD11 H 1 0.833 0.002 . 2 . . . A 406 LEU HD11 . 17502 1 1142 . 1 1 93 93 LEU HD12 H 1 0.833 0.002 . 2 . . . A 406 LEU HD12 . 17502 1 1143 . 1 1 93 93 LEU HD13 H 1 0.833 0.002 . 2 . . . A 406 LEU HD13 . 17502 1 1144 . 1 1 93 93 LEU HD21 H 1 0.806 0.001 . 2 . . . A 406 LEU HD21 . 17502 1 1145 . 1 1 93 93 LEU HD22 H 1 0.806 0.001 . 2 . . . A 406 LEU HD22 . 17502 1 1146 . 1 1 93 93 LEU HD23 H 1 0.806 0.001 . 2 . . . A 406 LEU HD23 . 17502 1 1147 . 1 1 93 93 LEU CA C 13 56.149 0.000 . 1 . . . A 406 LEU CA . 17502 1 1148 . 1 1 93 93 LEU CB C 13 41.357 0.015 . 1 . . . A 406 LEU CB . 17502 1 1149 . 1 1 93 93 LEU CG C 13 26.376 0.000 . 1 . . . A 406 LEU CG . 17502 1 1150 . 1 1 93 93 LEU CD1 C 13 25.835 0.000 . 2 . . . A 406 LEU CD1 . 17502 1 1151 . 1 1 93 93 LEU CD2 C 13 22.584 0.000 . 2 . . . A 406 LEU CD2 . 17502 1 1152 . 1 1 93 93 LEU N N 15 125.760 0.000 . 1 . . . A 406 LEU N . 17502 1 1153 . 1 1 94 94 ARG H H 1 8.019 0.003 . 1 . . . A 407 ARG H . 17502 1 1154 . 1 1 94 94 ARG HA H 1 5.046 0.003 . 1 . . . A 407 ARG HA . 17502 1 1155 . 1 1 94 94 ARG HB2 H 1 1.855 0.004 . 2 . . . A 407 ARG HB2 . 17502 1 1156 . 1 1 94 94 ARG HB3 H 1 1.655 0.003 . 2 . . . A 407 ARG HB3 . 17502 1 1157 . 1 1 94 94 ARG HG2 H 1 1.655 0.001 . 2 . . . A 407 ARG HG2 . 17502 1 1158 . 1 1 94 94 ARG HG3 H 1 1.713 0.002 . 2 . . . A 407 ARG HG3 . 17502 1 1159 . 1 1 94 94 ARG HD2 H 1 3.339 0.001 . 2 . . . A 407 ARG HD2 . 17502 1 1160 . 1 1 94 94 ARG HD3 H 1 3.285 0.001 . 2 . . . A 407 ARG HD3 . 17502 1 1161 . 1 1 94 94 ARG C C 13 175.606 0.000 . 1 . . . A 407 ARG C . 17502 1 1162 . 1 1 94 94 ARG CA C 13 53.689 0.028 . 1 . . . A 407 ARG CA . 17502 1 1163 . 1 1 94 94 ARG CB C 13 33.123 0.026 . 1 . . . A 407 ARG CB . 17502 1 1164 . 1 1 94 94 ARG CG C 13 27.566 0.003 . 1 . . . A 407 ARG CG . 17502 1 1165 . 1 1 94 94 ARG CD C 13 43.356 0.005 . 1 . . . A 407 ARG CD . 17502 1 1166 . 1 1 94 94 ARG N N 15 119.412 0.000 . 1 . . . A 407 ARG N . 17502 1 1167 . 1 1 95 95 THR H H 1 8.583 0.002 . 1 . . . A 408 THR H . 17502 1 1168 . 1 1 95 95 THR HA H 1 5.657 0.002 . 1 . . . A 408 THR HA . 17502 1 1169 . 1 1 95 95 THR HB H 1 4.064 0.002 . 1 . . . A 408 THR HB . 17502 1 1170 . 1 1 95 95 THR HG1 H 1 5.826 0.002 . 1 . . . A 408 THR HG1 . 17502 1 1171 . 1 1 95 95 THR HG21 H 1 0.983 0.001 . 1 . . . A 408 THR HG21 . 17502 1 1172 . 1 1 95 95 THR HG22 H 1 0.983 0.001 . 1 . . . A 408 THR HG22 . 17502 1 1173 . 1 1 95 95 THR HG23 H 1 0.983 0.001 . 1 . . . A 408 THR HG23 . 17502 1 1174 . 1 1 95 95 THR C C 13 175.052 0.000 . 1 . . . A 408 THR C . 17502 1 1175 . 1 1 95 95 THR CA C 13 58.482 0.056 . 1 . . . A 408 THR CA . 17502 1 1176 . 1 1 95 95 THR CB C 13 72.330 0.000 . 1 . . . A 408 THR CB . 17502 1 1177 . 1 1 95 95 THR CG2 C 13 23.251 0.000 . 1 . . . A 408 THR CG2 . 17502 1 1178 . 1 1 95 95 THR N N 15 110.880 0.000 . 1 . . . A 408 THR N . 17502 1 1179 . 1 1 96 96 GLY H H 1 8.491 0.001 . 1 . . . A 409 GLY H . 17502 1 1180 . 1 1 96 96 GLY HA2 H 1 4.207 0.002 . 2 . . . A 409 GLY HA2 . 17502 1 1181 . 1 1 96 96 GLY HA3 H 1 3.921 0.001 . 2 . . . A 409 GLY HA3 . 17502 1 1182 . 1 1 96 96 GLY C C 13 171.129 0.000 . 1 . . . A 409 GLY C . 17502 1 1183 . 1 1 96 96 GLY CA C 13 44.909 0.003 . 1 . . . A 409 GLY CA . 17502 1 1184 . 1 1 96 96 GLY N N 15 104.989 0.000 . 1 . . . A 409 GLY N . 17502 1 1185 . 1 1 97 97 TRP H H 1 8.847 0.001 . 1 . . . A 410 TRP H . 17502 1 1186 . 1 1 97 97 TRP HA H 1 4.838 0.005 . 1 . . . A 410 TRP HA . 17502 1 1187 . 1 1 97 97 TRP HB2 H 1 3.379 0.004 . 2 . . . A 410 TRP HB2 . 17502 1 1188 . 1 1 97 97 TRP HB3 H 1 3.090 0.003 . 2 . . . A 410 TRP HB3 . 17502 1 1189 . 1 1 97 97 TRP HD1 H 1 7.167 0.000 . 1 . . . A 410 TRP HD1 . 17502 1 1190 . 1 1 97 97 TRP HE1 H 1 9.759 0.002 . 1 . . . A 410 TRP HE1 . 17502 1 1191 . 1 1 97 97 TRP HE3 H 1 7.778 0.001 . 1 . . . A 410 TRP HE3 . 17502 1 1192 . 1 1 97 97 TRP HZ2 H 1 6.860 0.002 . 1 . . . A 410 TRP HZ2 . 17502 1 1193 . 1 1 97 97 TRP HZ3 H 1 6.532 0.002 . 1 . . . A 410 TRP HZ3 . 17502 1 1194 . 1 1 97 97 TRP HH2 H 1 6.563 0.003 . 1 . . . A 410 TRP HH2 . 17502 1 1195 . 1 1 97 97 TRP C C 13 178.574 0.000 . 1 . . . A 410 TRP C . 17502 1 1196 . 1 1 97 97 TRP CA C 13 58.149 0.065 . 1 . . . A 410 TRP CA . 17502 1 1197 . 1 1 97 97 TRP CB C 13 30.598 0.000 . 1 . . . A 410 TRP CB . 17502 1 1198 . 1 1 97 97 TRP CD1 C 13 125.922 0.000 . 1 . . . A 410 TRP CD1 . 17502 1 1199 . 1 1 97 97 TRP CE3 C 13 121.790 0.000 . 1 . . . A 410 TRP CE3 . 17502 1 1200 . 1 1 97 97 TRP CZ2 C 13 112.832 0.000 . 1 . . . A 410 TRP CZ2 . 17502 1 1201 . 1 1 97 97 TRP CZ3 C 13 121.856 0.000 . 1 . . . A 410 TRP CZ3 . 17502 1 1202 . 1 1 97 97 TRP CH2 C 13 123.385 0.000 . 1 . . . A 410 TRP CH2 . 17502 1 1203 . 1 1 97 97 TRP N N 15 120.445 0.000 . 1 . . . A 410 TRP N . 17502 1 1204 . 1 1 97 97 TRP NE1 N 15 127.532 0.000 . 1 . . . A 410 TRP NE1 . 17502 1 1205 . 1 1 98 98 GLY H H 1 8.957 0.002 . 1 . . . A 411 GLY H . 17502 1 1206 . 1 1 98 98 GLY HA2 H 1 4.503 0.002 . 2 . . . A 411 GLY HA2 . 17502 1 1207 . 1 1 98 98 GLY HA3 H 1 3.419 0.003 . 2 . . . A 411 GLY HA3 . 17502 1 1208 . 1 1 98 98 GLY C C 13 171.893 0.000 . 1 . . . A 411 GLY C . 17502 1 1209 . 1 1 98 98 GLY CA C 13 44.385 0.058 . 1 . . . A 411 GLY CA . 17502 1 1210 . 1 1 98 98 GLY N N 15 109.741 0.000 . 1 . . . A 411 GLY N . 17502 1 1211 . 1 1 99 99 LYS H H 1 7.998 0.004 . 1 . . . A 412 LYS H . 17502 1 1212 . 1 1 99 99 LYS HA H 1 4.438 0.005 . 1 . . . A 412 LYS HA . 17502 1 1213 . 1 1 99 99 LYS HB2 H 1 1.808 0.002 . 2 . . . A 412 LYS HB2 . 17502 1 1214 . 1 1 99 99 LYS HB3 H 1 1.706 0.005 . 2 . . . A 412 LYS HB3 . 17502 1 1215 . 1 1 99 99 LYS HG2 H 1 1.425 0.005 . 2 . . . A 412 LYS HG2 . 17502 1 1216 . 1 1 99 99 LYS HG3 H 1 1.387 0.005 . 2 . . . A 412 LYS HG3 . 17502 1 1217 . 1 1 99 99 LYS HD2 H 1 1.660 0.000 . 2 . . . A 412 LYS HD2 . 17502 1 1218 . 1 1 99 99 LYS HE2 H 1 2.955 0.004 . 2 . . . A 412 LYS HE2 . 17502 1 1219 . 1 1 99 99 LYS C C 13 176.213 0.000 . 1 . . . A 412 LYS C . 17502 1 1220 . 1 1 99 99 LYS CA C 13 55.800 0.051 . 1 . . . A 412 LYS CA . 17502 1 1221 . 1 1 99 99 LYS CB C 13 34.118 0.005 . 1 . . . A 412 LYS CB . 17502 1 1222 . 1 1 99 99 LYS CG C 13 24.780 0.001 . 1 . . . A 412 LYS CG . 17502 1 1223 . 1 1 99 99 LYS CD C 13 29.031 0.000 . 1 . . . A 412 LYS CD . 17502 1 1224 . 1 1 99 99 LYS CE C 13 41.915 0.000 . 1 . . . A 412 LYS CE . 17502 1 1225 . 1 1 99 99 LYS N N 15 119.232 0.000 . 1 . . . A 412 LYS N . 17502 1 1226 . 1 1 100 100 GLU H H 1 8.626 0.002 . 1 . . . A 413 GLU H . 17502 1 1227 . 1 1 100 100 GLU HA H 1 4.249 0.002 . 1 . . . A 413 GLU HA . 17502 1 1228 . 1 1 100 100 GLU HB2 H 1 2.113 0.002 . 2 . . . A 413 GLU HB2 . 17502 1 1229 . 1 1 100 100 GLU HB3 H 1 1.900 0.005 . 2 . . . A 413 GLU HB3 . 17502 1 1230 . 1 1 100 100 GLU HG2 H 1 2.312 0.002 . 2 . . . A 413 GLU HG2 . 17502 1 1231 . 1 1 100 100 GLU HG3 H 1 2.279 0.004 . 2 . . . A 413 GLU HG3 . 17502 1 1232 . 1 1 100 100 GLU C C 13 175.501 0.037 . 1 . . . A 413 GLU C . 17502 1 1233 . 1 1 100 100 GLU CA C 13 56.548 0.046 . 1 . . . A 413 GLU CA . 17502 1 1234 . 1 1 100 100 GLU CG C 13 36.734 0.022 . 1 . . . A 413 GLU CG . 17502 1 1235 . 1 1 100 100 GLU CD C 13 183.972 0.000 . 1 . . . A 413 GLU CD . 17502 1 1236 . 1 1 100 100 GLU N N 15 122.114 0.000 . 1 . . . A 413 GLU N . 17502 1 1237 . 1 1 101 101 ARG H H 1 7.984 0.002 . 1 . . . A 414 ARG H . 17502 1 1238 . 1 1 101 101 ARG HA H 1 4.092 0.002 . 1 . . . A 414 ARG HA . 17502 1 1239 . 1 1 101 101 ARG HB2 H 1 1.806 0.003 . 2 . . . A 414 ARG HB2 . 17502 1 1240 . 1 1 101 101 ARG HB3 H 1 1.679 0.004 . 2 . . . A 414 ARG HB3 . 17502 1 1241 . 1 1 101 101 ARG HG2 H 1 1.530 0.003 . 2 . . . A 414 ARG HG2 . 17502 1 1242 . 1 1 101 101 ARG HD2 H 1 3.106 0.003 . 2 . . . A 414 ARG HD2 . 17502 1 1243 . 1 1 101 101 ARG C C 13 180.816 0.000 . 1 . . . A 414 ARG C . 17502 1 1244 . 1 1 101 101 ARG CA C 13 57.383 0.032 . 1 . . . A 414 ARG CA . 17502 1 1245 . 1 1 101 101 ARG CB C 13 31.256 0.020 . 1 . . . A 414 ARG CB . 17502 1 1246 . 1 1 101 101 ARG CG C 13 27.043 0.000 . 1 . . . A 414 ARG CG . 17502 1 1247 . 1 1 101 101 ARG CD C 13 43.197 0.000 . 1 . . . A 414 ARG CD . 17502 1 1248 . 1 1 101 101 ARG N N 15 126.180 0.000 . 1 . . . A 414 ARG N . 17502 1 stop_ save_