data_18592 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18592 _Entry.Title ; MRH domain of the Glucosidase II beta subunit from S. pombe ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-12 _Entry.Accession_date 2012-07-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 N. Dahms . M. . 18592 2 L. Olson . J. . 18592 3 F. Peterson . C. . 18592 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' . 18592 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID glycobiology . 18592 Lectin . 18592 'MRH domain' . 18592 'protein folding' . 18592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 18592 '15N chemical shifts' 96 18592 '1H chemical shifts' 623 18592 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-10 2012-07-12 update BMRB 'update entry citation' 18592 1 . . 2013-04-29 2012-07-12 original author 'original release' 18592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVX 'BMRB Entry Tracking System' 18592 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18592 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23609449 _Citation.Full_citation . _Citation.Title 'Structure of the Lectin Mannose 6-Phosphate Receptor Homology (MRH) Domain of Glucosidase II, an Enzyme That Regulates Glycoprotein Folding Quality Control in the Endoplasmic Reticulum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 23 _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 16460 _Citation.Page_last 16475 _Citation.Year 2013 _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 Linda Olson . J. . 18592 1 2 Ramiro Orsi . . . 18592 1 3 Solana Alculumbre . G. . 18592 1 4 Francis Peterson . C. . 18592 1 5 Ivan Stigliano . D. . 18592 1 6 Armando Parodi . J. . 18592 1 7 Cecilia Dahms . . . 18592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18592 _Assembly.ID 1 _Assembly.Name 'MRH domain' _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 'MRH domain' 1 $MRH_domain A . yes native no no . . . 18592 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 66 66 SG . MRH_domain 52 CYS SG . MRH_domain 66 CYS SG 18592 1 2 disulfide SING . 1 . 1 CYS 81 81 SG . 1 . 1 CYS 93 93 SG . MRH_domain 81 CYS SG . MRH_domain 93 CYS SG 18592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MRH_domain _Entity.Sf_category entity _Entity.Sf_framecode MRH_domain _Entity.Entry_ID 18592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MRH_domain _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 ; YRAIKGMETKREIGGYTYKV VFYENVFQDSILLGNFASQE GNVLKYENGQSCWNGPHRSA IVTVECGVENEIVSVLEAQK CEYLIKMKSPAACS ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment MRH _Entity.Mutation NONE _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10544.053 _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 2LVX . "Mrh Domain Of The Glucosidase Ii Beta Subunit From S. Pombe" . . . . . 100.00 94 100.00 100.00 1.31e-61 . . . . 18592 1 2 no PDB 4XQM . "Crystal Structure Of The Mrh Domain Of Glucosidase Ii Beta Bound To Mannose" . . . . . 100.00 94 100.00 100.00 1.31e-61 . . . . 18592 1 3 no DBJ BAA13906 . "unnamed protein product [Schizosaccharomyces pombe]" . . . . . 100.00 515 100.00 100.00 3.66e-58 . . . . 18592 1 4 no EMBL CAB58410 . "glucosidase II Gtb1 (predicted) [Schizosaccharomyces pombe]" . . . . . 100.00 506 100.00 100.00 2.88e-58 . . . . 18592 1 5 no REF NP_588052 . "glucosidase II Gtb1 (predicted) [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 506 100.00 100.00 2.88e-58 . . . . 18592 1 6 no SP Q9USH8 . "RecName: Full=Glucosidase 2 subunit beta; AltName: Full=Alpha-glucosidase 2 subunit beta; Flags: Precursor" . . . . . 100.00 506 100.00 100.00 2.88e-58 . . . . 18592 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 . TYR . 18592 1 2 . ARG . 18592 1 3 359 ALA . 18592 1 4 360 ILE . 18592 1 5 361 LYS . 18592 1 6 362 GLY . 18592 1 7 363 MET . 18592 1 8 364 GLU . 18592 1 9 365 THR . 18592 1 10 366 LYS . 18592 1 11 367 ARG . 18592 1 12 368 GLU . 18592 1 13 369 ILE . 18592 1 14 370 GLY . 18592 1 15 371 GLY . 18592 1 16 372 TYR . 18592 1 17 373 THR . 18592 1 18 374 TYR . 18592 1 19 375 LYS . 18592 1 20 376 VAL . 18592 1 21 377 VAL . 18592 1 22 378 PHE . 18592 1 23 379 TYR . 18592 1 24 380 GLU . 18592 1 25 381 ASN . 18592 1 26 382 VAL . 18592 1 27 383 PHE . 18592 1 28 384 GLN . 18592 1 29 385 ASP . 18592 1 30 386 SER . 18592 1 31 387 ILE . 18592 1 32 388 LEU . 18592 1 33 389 LEU . 18592 1 34 390 GLY . 18592 1 35 391 ASN . 18592 1 36 392 PHE . 18592 1 37 393 ALA . 18592 1 38 394 SER . 18592 1 39 395 GLN . 18592 1 40 396 GLU . 18592 1 41 397 GLY . 18592 1 42 398 ASN . 18592 1 43 399 VAL . 18592 1 44 400 LEU . 18592 1 45 401 LYS . 18592 1 46 402 TYR . 18592 1 47 403 GLU . 18592 1 48 404 ASN . 18592 1 49 405 GLY . 18592 1 50 406 GLN . 18592 1 51 407 SER . 18592 1 52 408 CYS . 18592 1 53 409 TRP . 18592 1 54 410 ASN . 18592 1 55 411 GLY . 18592 1 56 412 PRO . 18592 1 57 413 HIS . 18592 1 58 414 ARG . 18592 1 59 415 SER . 18592 1 60 416 ALA . 18592 1 61 417 ILE . 18592 1 62 418 VAL . 18592 1 63 419 THR . 18592 1 64 420 VAL . 18592 1 65 421 GLU . 18592 1 66 422 CYS . 18592 1 67 423 GLY . 18592 1 68 424 VAL . 18592 1 69 425 GLU . 18592 1 70 426 ASN . 18592 1 71 427 GLU . 18592 1 72 428 ILE . 18592 1 73 429 VAL . 18592 1 74 430 SER . 18592 1 75 431 VAL . 18592 1 76 432 LEU . 18592 1 77 433 GLU . 18592 1 78 434 ALA . 18592 1 79 435 GLN . 18592 1 80 436 LYS . 18592 1 81 437 CYS . 18592 1 82 438 GLU . 18592 1 83 439 TYR . 18592 1 84 440 LEU . 18592 1 85 441 ILE . 18592 1 86 442 LYS . 18592 1 87 443 MET . 18592 1 88 444 LYS . 18592 1 89 445 SER . 18592 1 90 446 PRO . 18592 1 91 447 ALA . 18592 1 92 448 ALA . 18592 1 93 449 CYS . 18592 1 94 450 SER . 18592 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 . TYR 1 1 18592 1 . ARG 2 2 18592 1 . ALA 3 3 18592 1 . ILE 4 4 18592 1 . LYS 5 5 18592 1 . GLY 6 6 18592 1 . MET 7 7 18592 1 . GLU 8 8 18592 1 . THR 9 9 18592 1 . LYS 10 10 18592 1 . ARG 11 11 18592 1 . GLU 12 12 18592 1 . ILE 13 13 18592 1 . GLY 14 14 18592 1 . GLY 15 15 18592 1 . TYR 16 16 18592 1 . THR 17 17 18592 1 . TYR 18 18 18592 1 . LYS 19 19 18592 1 . VAL 20 20 18592 1 . VAL 21 21 18592 1 . PHE 22 22 18592 1 . TYR 23 23 18592 1 . GLU 24 24 18592 1 . ASN 25 25 18592 1 . VAL 26 26 18592 1 . PHE 27 27 18592 1 . GLN 28 28 18592 1 . ASP 29 29 18592 1 . SER 30 30 18592 1 . ILE 31 31 18592 1 . LEU 32 32 18592 1 . LEU 33 33 18592 1 . GLY 34 34 18592 1 . ASN 35 35 18592 1 . PHE 36 36 18592 1 . ALA 37 37 18592 1 . SER 38 38 18592 1 . GLN 39 39 18592 1 . GLU 40 40 18592 1 . GLY 41 41 18592 1 . ASN 42 42 18592 1 . VAL 43 43 18592 1 . LEU 44 44 18592 1 . LYS 45 45 18592 1 . TYR 46 46 18592 1 . GLU 47 47 18592 1 . ASN 48 48 18592 1 . GLY 49 49 18592 1 . GLN 50 50 18592 1 . SER 51 51 18592 1 . CYS 52 52 18592 1 . TRP 53 53 18592 1 . ASN 54 54 18592 1 . GLY 55 55 18592 1 . PRO 56 56 18592 1 . HIS 57 57 18592 1 . ARG 58 58 18592 1 . SER 59 59 18592 1 . ALA 60 60 18592 1 . ILE 61 61 18592 1 . VAL 62 62 18592 1 . THR 63 63 18592 1 . VAL 64 64 18592 1 . GLU 65 65 18592 1 . CYS 66 66 18592 1 . GLY 67 67 18592 1 . VAL 68 68 18592 1 . GLU 69 69 18592 1 . ASN 70 70 18592 1 . GLU 71 71 18592 1 . ILE 72 72 18592 1 . VAL 73 73 18592 1 . SER 74 74 18592 1 . VAL 75 75 18592 1 . LEU 76 76 18592 1 . GLU 77 77 18592 1 . ALA 78 78 18592 1 . GLN 79 79 18592 1 . LYS 80 80 18592 1 . CYS 81 81 18592 1 . GLU 82 82 18592 1 . TYR 83 83 18592 1 . LEU 84 84 18592 1 . ILE 85 85 18592 1 . LYS 86 86 18592 1 . MET 87 87 18592 1 . LYS 88 88 18592 1 . SER 89 89 18592 1 . PRO 90 90 18592 1 . ALA 91 91 18592 1 . ALA 92 92 18592 1 . CYS 93 93 18592 1 . SER 94 94 18592 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 18592 _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 $MRH_domain . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . 'Glucosidase II-beta' . . . . 18592 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 18592 _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 $MRH_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21[pREP4] . . . . . . . . . . . . . . . pQE30-SUMO . . . . . . 18592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18592 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM MRH(357-450) U-15N/13C, 10 mM imidazole, 150 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 imidazole '[U-100% 2H]' . . 1 $MRH_domain . . 10 . . mM . . . . 18592 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18592 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18592 1 4 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 18592 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18592 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18592 1 pH 7.1 . pH 18592 1 pressure 1 . atm 18592 1 temperature 298 . K 18592 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 18592 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 18592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18592 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 18592 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 18592 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18592 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 18592 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2009 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 18592 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18592 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18592 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 18592 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18592 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 18592 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 18592 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18592 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 18592 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 18592 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 18592 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 18592 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18592 _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 . 600 . 1 $citations 18592 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 18592 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18592 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18592 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18592 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 18592 _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 na indirect 0.251449530 . . . . . . . . . 18592 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18592 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18592 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 18592 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 18592 1 2 3D_13C-separated_NOESY . . . 18592 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 18592 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 3 3 ALA HA H 1 4.506 0.02 . 1 . . . A 359 ALA HA . 18592 1 2 . 1 1 3 3 ALA HB1 H 1 1.184 0.02 . . . . . A 359 ALA QB . 18592 1 3 . 1 1 3 3 ALA HB2 H 1 1.184 0.02 . . . . . A 359 ALA QB . 18592 1 4 . 1 1 3 3 ALA HB3 H 1 1.184 0.02 . . . . . A 359 ALA QB . 18592 1 5 . 1 1 3 3 ALA CA C 13 51.578 0.10 . 1 . . . A 359 ALA CA . 18592 1 6 . 1 1 3 3 ALA CB C 13 18.908 0.10 . 1 . . . A 359 ALA CB . 18592 1 7 . 1 1 4 4 ILE HA H 1 4.756 0.02 . 1 . . . A 360 ILE HA . 18592 1 8 . 1 1 4 4 ILE HB H 1 1.977 0.02 . 1 . . . A 360 ILE HB . 18592 1 9 . 1 1 4 4 ILE HG12 H 1 1.618 0.02 . 2 . . . A 360 ILE HG12 . 18592 1 10 . 1 1 4 4 ILE HG13 H 1 1.155 0.02 . 2 . . . A 360 ILE HG13 . 18592 1 11 . 1 1 4 4 ILE HG21 H 1 0.835 0.02 . . . . . A 360 ILE QG2 . 18592 1 12 . 1 1 4 4 ILE HG22 H 1 0.835 0.02 . . . . . A 360 ILE QG2 . 18592 1 13 . 1 1 4 4 ILE HG23 H 1 0.835 0.02 . . . . . A 360 ILE QG2 . 18592 1 14 . 1 1 4 4 ILE CA C 13 60.965 0.10 . 1 . . . A 360 ILE CA . 18592 1 15 . 1 1 4 4 ILE CB C 13 38.954 0.10 . 1 . . . A 360 ILE CB . 18592 1 16 . 1 1 4 4 ILE CG1 C 13 27.948 0.10 . 1 . . . A 360 ILE CG1 . 18592 1 17 . 1 1 4 4 ILE CG2 C 13 18.908 0.10 . 1 . . . A 360 ILE CG2 . 18592 1 18 . 1 1 6 6 GLY H H 1 8.544 0.02 . 1 . . . A 362 GLY H . 18592 1 19 . 1 1 6 6 GLY HA2 H 1 4.430 0.02 . 2 . . . A 362 GLY HA2 . 18592 1 20 . 1 1 6 6 GLY HA3 H 1 3.603 0.02 . 2 . . . A 362 GLY HA3 . 18592 1 21 . 1 1 6 6 GLY C C 13 174.372 0.10 . 1 . . . A 362 GLY C . 18592 1 22 . 1 1 6 6 GLY CA C 13 45.751 0.10 . 1 . . . A 362 GLY CA . 18592 1 23 . 1 1 6 6 GLY N N 15 113.869 0.10 . 1 . . . A 362 GLY N . 18592 1 24 . 1 1 7 7 MET H H 1 8.067 0.02 . 1 . . . A 363 MET H . 18592 1 25 . 1 1 7 7 MET HE1 H 1 2.116 0.02 . . . . . A 363 MET QE . 18592 1 26 . 1 1 7 7 MET HE2 H 1 2.116 0.02 . . . . . A 363 MET QE . 18592 1 27 . 1 1 7 7 MET HE3 H 1 2.116 0.02 . . . . . A 363 MET QE . 18592 1 28 . 1 1 7 7 MET CE C 13 17.613 0.10 . 1 . . . A 363 MET CE . 18592 1 29 . 1 1 7 7 MET N N 15 121.123 0.10 . 1 . . . A 363 MET N . 18592 1 30 . 1 1 8 8 GLU C C 13 175.822 0.10 . 1 . . . A 364 GLU C . 18592 1 31 . 1 1 9 9 THR H H 1 8.553 0.02 . 1 . . . A 365 THR H . 18592 1 32 . 1 1 9 9 THR HA H 1 4.575 0.02 . 1 . . . A 365 THR HA . 18592 1 33 . 1 1 9 9 THR HB H 1 3.572 0.02 . 1 . . . A 365 THR HB . 18592 1 34 . 1 1 9 9 THR HG21 H 1 1.119 0.02 . . . . . A 365 THR QG2 . 18592 1 35 . 1 1 9 9 THR HG22 H 1 1.119 0.02 . . . . . A 365 THR QG2 . 18592 1 36 . 1 1 9 9 THR HG23 H 1 1.119 0.02 . . . . . A 365 THR QG2 . 18592 1 37 . 1 1 9 9 THR C C 13 172.171 0.10 . 1 . . . A 365 THR C . 18592 1 38 . 1 1 9 9 THR CA C 13 62.890 0.10 . 1 . . . A 365 THR CA . 18592 1 39 . 1 1 9 9 THR CB C 13 70.786 0.10 . 1 . . . A 365 THR CB . 18592 1 40 . 1 1 9 9 THR CG2 C 13 21.850 0.10 . 1 . . . A 365 THR CG2 . 18592 1 41 . 1 1 9 9 THR N N 15 121.843 0.10 . 1 . . . A 365 THR N . 18592 1 42 . 1 1 10 10 LYS H H 1 8.892 0.02 . 1 . . . A 366 LYS H . 18592 1 43 . 1 1 10 10 LYS HA H 1 5.860 0.02 . 1 . . . A 366 LYS HA . 18592 1 44 . 1 1 10 10 LYS HB2 H 1 1.639 0.02 . 2 . . . A 366 LYS HB2 . 18592 1 45 . 1 1 10 10 LYS HB3 H 1 1.639 0.02 . 2 . . . A 366 LYS HB3 . 18592 1 46 . 1 1 10 10 LYS HG2 H 1 1.312 0.02 . 2 . . . A 366 LYS HG2 . 18592 1 47 . 1 1 10 10 LYS HG3 H 1 1.312 0.02 . 2 . . . A 366 LYS HG3 . 18592 1 48 . 1 1 10 10 LYS HD2 H 1 1.575 0.02 . 2 . . . A 366 LYS HD2 . 18592 1 49 . 1 1 10 10 LYS HD3 H 1 1.575 0.02 . 2 . . . A 366 LYS HD3 . 18592 1 50 . 1 1 10 10 LYS HE2 H 1 2.891 0.02 . 2 . . . A 366 LYS HE2 . 18592 1 51 . 1 1 10 10 LYS HE3 H 1 2.891 0.02 . 2 . . . A 366 LYS HE3 . 18592 1 52 . 1 1 10 10 LYS C C 13 176.078 0.10 . 1 . . . A 366 LYS C . 18592 1 53 . 1 1 10 10 LYS CA C 13 54.618 0.10 . 1 . . . A 366 LYS CA . 18592 1 54 . 1 1 10 10 LYS CB C 13 37.335 0.10 . 1 . . . A 366 LYS CB . 18592 1 55 . 1 1 10 10 LYS CG C 13 24.387 0.10 . 1 . . . A 366 LYS CG . 18592 1 56 . 1 1 10 10 LYS CD C 13 29.890 0.10 . 1 . . . A 366 LYS CD . 18592 1 57 . 1 1 10 10 LYS CE C 13 41.978 0.10 . 1 . . . A 366 LYS CE . 18592 1 58 . 1 1 10 10 LYS N N 15 125.360 0.10 . 1 . . . A 366 LYS N . 18592 1 59 . 1 1 11 11 ARG H H 1 8.819 0.02 . 1 . . . A 367 ARG H . 18592 1 60 . 1 1 11 11 ARG HA H 1 4.470 0.02 . 1 . . . A 367 ARG HA . 18592 1 61 . 1 1 11 11 ARG HB2 H 1 1.590 0.02 . 2 . . . A 367 ARG HB2 . 18592 1 62 . 1 1 11 11 ARG HB3 H 1 2.280 0.02 . 2 . . . A 367 ARG HB3 . 18592 1 63 . 1 1 11 11 ARG HG2 H 1 1.859 0.02 . 2 . . . A 367 ARG HG2 . 18592 1 64 . 1 1 11 11 ARG HG3 H 1 1.751 0.02 . 2 . . . A 367 ARG HG3 . 18592 1 65 . 1 1 11 11 ARG HD2 H 1 3.592 0.02 . 2 . . . A 367 ARG HD2 . 18592 1 66 . 1 1 11 11 ARG HD3 H 1 3.115 0.02 . 2 . . . A 367 ARG HD3 . 18592 1 67 . 1 1 11 11 ARG C C 13 174.065 0.10 . 1 . . . A 367 ARG C . 18592 1 68 . 1 1 11 11 ARG CA C 13 57.464 0.10 . 1 . . . A 367 ARG CA . 18592 1 69 . 1 1 11 11 ARG CB C 13 35.582 0.10 . 1 . . . A 367 ARG CB . 18592 1 70 . 1 1 11 11 ARG CG C 13 28.272 0.10 . 1 . . . A 367 ARG CG . 18592 1 71 . 1 1 11 11 ARG CD C 13 44.520 0.10 . 1 . . . A 367 ARG CD . 18592 1 72 . 1 1 11 11 ARG N N 15 121.339 0.10 . 1 . . . A 367 ARG N . 18592 1 73 . 1 1 12 12 GLU H H 1 8.901 0.02 . 1 . . . A 368 GLU H . 18592 1 74 . 1 1 12 12 GLU HA H 1 5.389 0.02 . 1 . . . A 368 GLU HA . 18592 1 75 . 1 1 12 12 GLU HB2 H 1 2.060 0.02 . 2 . . . A 368 GLU HB2 . 18592 1 76 . 1 1 12 12 GLU HB3 H 1 1.991 0.02 . 2 . . . A 368 GLU HB3 . 18592 1 77 . 1 1 12 12 GLU HG2 H 1 2.346 0.02 . 2 . . . A 368 GLU HG2 . 18592 1 78 . 1 1 12 12 GLU HG3 H 1 2.249 0.02 . 2 . . . A 368 GLU HG3 . 18592 1 79 . 1 1 12 12 GLU C C 13 175.754 0.10 . 1 . . . A 368 GLU C . 18592 1 80 . 1 1 12 12 GLU CA C 13 55.946 0.10 . 1 . . . A 368 GLU CA . 18592 1 81 . 1 1 12 12 GLU CB C 13 29.944 0.10 . 1 . . . A 368 GLU CB . 18592 1 82 . 1 1 12 12 GLU CG C 13 36.688 0.10 . 1 . . . A 368 GLU CG . 18592 1 83 . 1 1 12 12 GLU N N 15 129.220 0.10 . 1 . . . A 368 GLU N . 18592 1 84 . 1 1 13 13 ILE H H 1 9.358 0.02 . 1 . . . A 369 ILE H . 18592 1 85 . 1 1 13 13 ILE HA H 1 4.444 0.02 . 1 . . . A 369 ILE HA . 18592 1 86 . 1 1 13 13 ILE HB H 1 1.959 0.02 . 1 . . . A 369 ILE HB . 18592 1 87 . 1 1 13 13 ILE HG12 H 1 1.107 0.02 . 2 . . . A 369 ILE HG12 . 18592 1 88 . 1 1 13 13 ILE HG13 H 1 1.599 0.02 . 2 . . . A 369 ILE HG13 . 18592 1 89 . 1 1 13 13 ILE HG21 H 1 1.057 0.02 . . . . . A 369 ILE QG2 . 18592 1 90 . 1 1 13 13 ILE HG22 H 1 1.057 0.02 . . . . . A 369 ILE QG2 . 18592 1 91 . 1 1 13 13 ILE HG23 H 1 1.057 0.02 . . . . . A 369 ILE QG2 . 18592 1 92 . 1 1 13 13 ILE HD11 H 1 0.753 0.02 . . . . . A 369 ILE QD1 . 18592 1 93 . 1 1 13 13 ILE HD12 H 1 0.753 0.02 . . . . . A 369 ILE QD1 . 18592 1 94 . 1 1 13 13 ILE HD13 H 1 0.753 0.02 . . . . . A 369 ILE QD1 . 18592 1 95 . 1 1 13 13 ILE C C 13 177.085 0.10 . 1 . . . A 369 ILE C . 18592 1 96 . 1 1 13 13 ILE CA C 13 61.613 0.10 . 1 . . . A 369 ILE CA . 18592 1 97 . 1 1 13 13 ILE CB C 13 42.191 0.10 . 1 . . . A 369 ILE CB . 18592 1 98 . 1 1 13 13 ILE CG1 C 13 27.948 0.10 . 1 . . . A 369 ILE CG1 . 18592 1 99 . 1 1 13 13 ILE CG2 C 13 17.290 0.10 . 1 . . . A 369 ILE CG2 . 18592 1 100 . 1 1 13 13 ILE CD1 C 13 14.376 0.10 . 1 . . . A 369 ILE CD1 . 18592 1 101 . 1 1 13 13 ILE N N 15 128.110 0.10 . 1 . . . A 369 ILE N . 18592 1 102 . 1 1 14 14 GLY H H 1 9.224 0.02 . 1 . . . A 370 GLY H . 18592 1 103 . 1 1 14 14 GLY HA2 H 1 4.086 0.02 . 2 . . . A 370 GLY HA2 . 18592 1 104 . 1 1 14 14 GLY HA3 H 1 4.007 0.02 . 2 . . . A 370 GLY HA3 . 18592 1 105 . 1 1 14 14 GLY C C 13 175.037 0.10 . 1 . . . A 370 GLY C . 18592 1 106 . 1 1 14 14 GLY CA C 13 47.351 0.10 . 1 . . . A 370 GLY CA . 18592 1 107 . 1 1 14 14 GLY N N 15 116.865 0.10 . 1 . . . A 370 GLY N . 18592 1 108 . 1 1 15 15 GLY H H 1 8.820 0.02 . 1 . . . A 371 GLY H . 18592 1 109 . 1 1 15 15 GLY HA2 H 1 3.990 0.02 . 2 . . . A 371 GLY HA2 . 18592 1 110 . 1 1 15 15 GLY HA3 H 1 3.490 0.02 . 2 . . . A 371 GLY HA3 . 18592 1 111 . 1 1 15 15 GLY C C 13 173.492 0.10 . 1 . . . A 371 GLY C . 18592 1 112 . 1 1 15 15 GLY CA C 13 44.752 0.10 . 1 . . . A 371 GLY CA . 18592 1 113 . 1 1 15 15 GLY N N 15 105.803 0.10 . 1 . . . A 371 GLY N . 18592 1 114 . 1 1 16 16 TYR H H 1 7.620 0.02 . 1 . . . A 372 TYR H . 18592 1 115 . 1 1 16 16 TYR HA H 1 4.893 0.02 . 1 . . . A 372 TYR HA . 18592 1 116 . 1 1 16 16 TYR HB2 H 1 2.261 0.02 . 2 . . . A 372 TYR HB2 . 18592 1 117 . 1 1 16 16 TYR HB3 H 1 2.556 0.02 . 2 . . . A 372 TYR HB3 . 18592 1 118 . 1 1 16 16 TYR HD1 H 1 7.212 0.02 . 3 . . . A 372 TYR HD1 . 18592 1 119 . 1 1 16 16 TYR HD2 H 1 7.212 0.02 . 3 . . . A 372 TYR HD2 . 18592 1 120 . 1 1 16 16 TYR HE1 H 1 6.820 0.02 . 3 . . . A 372 TYR HE1 . 18592 1 121 . 1 1 16 16 TYR HE2 H 1 6.820 0.02 . 3 . . . A 372 TYR HE2 . 18592 1 122 . 1 1 16 16 TYR C C 13 174.592 0.10 . 1 . . . A 372 TYR C . 18592 1 123 . 1 1 16 16 TYR CA C 13 56.434 0.10 . 1 . . . A 372 TYR CA . 18592 1 124 . 1 1 16 16 TYR CB C 13 42.516 0.10 . 1 . . . A 372 TYR CB . 18592 1 125 . 1 1 16 16 TYR CD2 C 13 134.380 0.10 . 3 . . . A 372 TYR CD2 . 18592 1 126 . 1 1 16 16 TYR CE2 C 13 118.584 0.10 . 3 . . . A 372 TYR CE2 . 18592 1 127 . 1 1 16 16 TYR N N 15 118.900 0.10 . 1 . . . A 372 TYR N . 18592 1 128 . 1 1 17 17 THR H H 1 9.251 0.02 . 1 . . . A 373 THR H . 18592 1 129 . 1 1 17 17 THR HA H 1 4.563 0.02 . 1 . . . A 373 THR HA . 18592 1 130 . 1 1 17 17 THR HB H 1 4.127 0.02 . 1 . . . A 373 THR HB . 18592 1 131 . 1 1 17 17 THR HG21 H 1 0.982 0.02 . . . . . A 373 THR QG2 . 18592 1 132 . 1 1 17 17 THR HG22 H 1 0.982 0.02 . . . . . A 373 THR QG2 . 18592 1 133 . 1 1 17 17 THR HG23 H 1 0.982 0.02 . . . . . A 373 THR QG2 . 18592 1 134 . 1 1 17 17 THR C C 13 175.141 0.10 . 1 . . . A 373 THR C . 18592 1 135 . 1 1 17 17 THR CA C 13 63.555 0.10 . 1 . . . A 373 THR CA . 18592 1 136 . 1 1 17 17 THR CB C 13 68.637 0.10 . 1 . . . A 373 THR CB . 18592 1 137 . 1 1 17 17 THR CG2 C 13 21.360 0.10 . 1 . . . A 373 THR CG2 . 18592 1 138 . 1 1 17 17 THR N N 15 118.386 0.10 . 1 . . . A 373 THR N . 18592 1 139 . 1 1 18 18 TYR H H 1 9.147 0.02 . 1 . . . A 374 TYR H . 18592 1 140 . 1 1 18 18 TYR HA H 1 5.183 0.02 . 1 . . . A 374 TYR HA . 18592 1 141 . 1 1 18 18 TYR HB2 H 1 2.876 0.02 . 2 . . . A 374 TYR HB2 . 18592 1 142 . 1 1 18 18 TYR HB3 H 1 2.579 0.02 . 2 . . . A 374 TYR HB3 . 18592 1 143 . 1 1 18 18 TYR HD1 H 1 6.971 0.02 . 3 . . . A 374 TYR HD1 . 18592 1 144 . 1 1 18 18 TYR HD2 H 1 6.971 0.02 . 3 . . . A 374 TYR HD2 . 18592 1 145 . 1 1 18 18 TYR HE1 H 1 6.647 0.02 . 3 . . . A 374 TYR HE1 . 18592 1 146 . 1 1 18 18 TYR HE2 H 1 6.647 0.02 . 3 . . . A 374 TYR HE2 . 18592 1 147 . 1 1 18 18 TYR C C 13 174.317 0.10 . 1 . . . A 374 TYR C . 18592 1 148 . 1 1 18 18 TYR CA C 13 58.376 0.10 . 1 . . . A 374 TYR CA . 18592 1 149 . 1 1 18 18 TYR CB C 13 40.563 0.10 . 1 . . . A 374 TYR CB . 18592 1 150 . 1 1 18 18 TYR CD1 C 13 133.022 0.10 . 3 . . . A 374 TYR CD1 . 18592 1 151 . 1 1 18 18 TYR CE1 C 13 118.325 0.10 . 3 . . . A 374 TYR CE1 . 18592 1 152 . 1 1 18 18 TYR N N 15 130.688 0.10 . 1 . . . A 374 TYR N . 18592 1 153 . 1 1 19 19 LYS H H 1 8.770 0.02 . 1 . . . A 375 LYS H . 18592 1 154 . 1 1 19 19 LYS HA H 1 5.198 0.02 . 1 . . . A 375 LYS HA . 18592 1 155 . 1 1 19 19 LYS HB2 H 1 1.815 0.02 . 2 . . . A 375 LYS HB2 . 18592 1 156 . 1 1 19 19 LYS HB3 H 1 1.568 0.02 . 2 . . . A 375 LYS HB3 . 18592 1 157 . 1 1 19 19 LYS HG2 H 1 1.269 0.02 . 2 . . . A 375 LYS HG2 . 18592 1 158 . 1 1 19 19 LYS HG3 H 1 1.119 0.02 . 2 . . . A 375 LYS HG3 . 18592 1 159 . 1 1 19 19 LYS HD2 H 1 1.465 0.02 . 2 . . . A 375 LYS HD2 . 18592 1 160 . 1 1 19 19 LYS HD3 H 1 1.465 0.02 . 2 . . . A 375 LYS HD3 . 18592 1 161 . 1 1 19 19 LYS HE2 H 1 2.669 0.02 . 2 . . . A 375 LYS HE2 . 18592 1 162 . 1 1 19 19 LYS HE3 H 1 2.669 0.02 . 2 . . . A 375 LYS HE3 . 18592 1 163 . 1 1 19 19 LYS C C 13 174.897 0.10 . 1 . . . A 375 LYS C . 18592 1 164 . 1 1 19 19 LYS CA C 13 54.815 0.10 . 1 . . . A 375 LYS CA . 18592 1 165 . 1 1 19 19 LYS CB C 13 36.822 0.10 . 1 . . . A 375 LYS CB . 18592 1 166 . 1 1 19 19 LYS CG C 13 25.358 0.10 . 1 . . . A 375 LYS CG . 18592 1 167 . 1 1 19 19 LYS CD C 13 29.566 0.10 . 1 . . . A 375 LYS CD . 18592 1 168 . 1 1 19 19 LYS CE C 13 41.867 0.10 . 1 . . . A 375 LYS CE . 18592 1 169 . 1 1 19 19 LYS N N 15 121.873 0.10 . 1 . . . A 375 LYS N . 18592 1 170 . 1 1 20 20 VAL H H 1 9.112 0.02 . 1 . . . A 376 VAL H . 18592 1 171 . 1 1 20 20 VAL HA H 1 4.186 0.02 . 1 . . . A 376 VAL HA . 18592 1 172 . 1 1 20 20 VAL HB H 1 1.736 0.02 . 1 . . . A 376 VAL HB . 18592 1 173 . 1 1 20 20 VAL HG11 H 1 0.833 0.02 . . . . . A 376 VAL QG1 . 18592 1 174 . 1 1 20 20 VAL HG12 H 1 0.833 0.02 . . . . . A 376 VAL QG1 . 18592 1 175 . 1 1 20 20 VAL HG13 H 1 0.833 0.02 . . . . . A 376 VAL QG1 . 18592 1 176 . 1 1 20 20 VAL HG21 H 1 0.566 0.02 . . . . . A 376 VAL QG2 . 18592 1 177 . 1 1 20 20 VAL HG22 H 1 0.566 0.02 . . . . . A 376 VAL QG2 . 18592 1 178 . 1 1 20 20 VAL HG23 H 1 0.566 0.02 . . . . . A 376 VAL QG2 . 18592 1 179 . 1 1 20 20 VAL C C 13 174.698 0.10 . 1 . . . A 376 VAL C . 18592 1 180 . 1 1 20 20 VAL CA C 13 61.903 0.10 . 1 . . . A 376 VAL CA . 18592 1 181 . 1 1 20 20 VAL CB C 13 34.422 0.10 . 1 . . . A 376 VAL CB . 18592 1 182 . 1 1 20 20 VAL CG1 C 13 20.574 0.10 . 2 . . . A 376 VAL CG1 . 18592 1 183 . 1 1 20 20 VAL CG2 C 13 20.203 0.10 . 2 . . . A 376 VAL CG2 . 18592 1 184 . 1 1 20 20 VAL N N 15 126.382 0.10 . 1 . . . A 376 VAL N . 18592 1 185 . 1 1 21 21 VAL H H 1 8.760 0.02 . 1 . . . A 377 VAL H . 18592 1 186 . 1 1 21 21 VAL HA H 1 4.886 0.02 . 1 . . . A 377 VAL HA . 18592 1 187 . 1 1 21 21 VAL HB H 1 2.508 0.02 . 1 . . . A 377 VAL HB . 18592 1 188 . 1 1 21 21 VAL HG11 H 1 0.936 0.02 . . . . . A 377 VAL QG1 . 18592 1 189 . 1 1 21 21 VAL HG12 H 1 0.936 0.02 . . . . . A 377 VAL QG1 . 18592 1 190 . 1 1 21 21 VAL HG13 H 1 0.936 0.02 . . . . . A 377 VAL QG1 . 18592 1 191 . 1 1 21 21 VAL HG21 H 1 1.041 0.02 . . . . . A 377 VAL QG2 . 18592 1 192 . 1 1 21 21 VAL HG22 H 1 1.041 0.02 . . . . . A 377 VAL QG2 . 18592 1 193 . 1 1 21 21 VAL HG23 H 1 1.041 0.02 . . . . . A 377 VAL QG2 . 18592 1 194 . 1 1 21 21 VAL C C 13 179.952 0.10 . 1 . . . A 377 VAL C . 18592 1 195 . 1 1 21 21 VAL CA C 13 61.031 0.10 . 1 . . . A 377 VAL CA . 18592 1 196 . 1 1 21 21 VAL CB C 13 32.480 0.10 . 1 . . . A 377 VAL CB . 18592 1 197 . 1 1 21 21 VAL CG1 C 13 22.769 0.10 . 2 . . . A 377 VAL CG1 . 18592 1 198 . 1 1 21 21 VAL CG2 C 13 20.844 0.10 . 2 . . . A 377 VAL CG2 . 18592 1 199 . 1 1 21 21 VAL N N 15 127.639 0.10 . 1 . . . A 377 VAL N . 18592 1 200 . 1 1 22 22 PHE H H 1 9.041 0.02 . 1 . . . A 378 PHE H . 18592 1 201 . 1 1 22 22 PHE HA H 1 3.900 0.02 . 1 . . . A 378 PHE HA . 18592 1 202 . 1 1 22 22 PHE HB2 H 1 3.331 0.02 . 2 . . . A 378 PHE HB2 . 18592 1 203 . 1 1 22 22 PHE HB3 H 1 2.598 0.02 . 2 . . . A 378 PHE HB3 . 18592 1 204 . 1 1 22 22 PHE HD1 H 1 7.087 0.02 . 3 . . . A 378 PHE HD1 . 18592 1 205 . 1 1 22 22 PHE HD2 H 1 7.087 0.02 . 3 . . . A 378 PHE HD2 . 18592 1 206 . 1 1 22 22 PHE HE1 H 1 7.059 0.02 . 3 . . . A 378 PHE HE1 . 18592 1 207 . 1 1 22 22 PHE HE2 H 1 7.059 0.02 . 3 . . . A 378 PHE HE2 . 18592 1 208 . 1 1 22 22 PHE CA C 13 60.318 0.10 . 1 . . . A 378 PHE CA . 18592 1 209 . 1 1 22 22 PHE CB C 13 37.821 0.10 . 1 . . . A 378 PHE CB . 18592 1 210 . 1 1 22 22 PHE CD1 C 13 133.862 0.10 . 3 . . . A 378 PHE CD1 . 18592 1 211 . 1 1 22 22 PHE CE1 C 13 130.496 0.10 . 3 . . . A 378 PHE CE1 . 18592 1 212 . 1 1 22 22 PHE N N 15 131.751 0.10 . 1 . . . A 378 PHE N . 18592 1 213 . 1 1 23 23 TYR H H 1 6.434 0.02 . 1 . . . A 379 TYR H . 18592 1 214 . 1 1 23 23 TYR HA H 1 2.964 0.02 . 1 . . . A 379 TYR HA . 18592 1 215 . 1 1 23 23 TYR HB2 H 1 2.998 0.02 . 2 . . . A 379 TYR HB2 . 18592 1 216 . 1 1 23 23 TYR HB3 H 1 2.998 0.02 . 2 . . . A 379 TYR HB3 . 18592 1 217 . 1 1 23 23 TYR HD1 H 1 5.832 0.02 . 3 . . . A 379 TYR HD1 . 18592 1 218 . 1 1 23 23 TYR HD2 H 1 5.832 0.02 . 3 . . . A 379 TYR HD2 . 18592 1 219 . 1 1 23 23 TYR HE1 H 1 6.667 0.02 . 3 . . . A 379 TYR HE1 . 18592 1 220 . 1 1 23 23 TYR HE2 H 1 6.667 0.02 . 3 . . . A 379 TYR HE2 . 18592 1 221 . 1 1 23 23 TYR C C 13 173.354 0.10 . 1 . . . A 379 TYR C . 18592 1 222 . 1 1 23 23 TYR CA C 13 60.642 0.10 . 1 . . . A 379 TYR CA . 18592 1 223 . 1 1 23 23 TYR CB C 13 35.393 0.10 . 1 . . . A 379 TYR CB . 18592 1 224 . 1 1 23 23 TYR CD2 C 13 131.791 0.10 . 3 . . . A 379 TYR CD2 . 18592 1 225 . 1 1 23 23 TYR CE2 C 13 118.325 0.10 . 3 . . . A 379 TYR CE2 . 18592 1 226 . 1 1 23 23 TYR N N 15 111.703 0.10 . 1 . . . A 379 TYR N . 18592 1 227 . 1 1 24 24 GLU H H 1 7.847 0.02 . 1 . . . A 380 GLU H . 18592 1 228 . 1 1 24 24 GLU HA H 1 5.070 0.02 . 1 . . . A 380 GLU HA . 18592 1 229 . 1 1 24 24 GLU HB2 H 1 1.713 0.02 . 2 . . . A 380 GLU HB2 . 18592 1 230 . 1 1 24 24 GLU HB3 H 1 2.176 0.02 . 2 . . . A 380 GLU HB3 . 18592 1 231 . 1 1 24 24 GLU HG2 H 1 2.317 0.02 . 2 . . . A 380 GLU HG2 . 18592 1 232 . 1 1 24 24 GLU HG3 H 1 2.275 0.02 . 2 . . . A 380 GLU HG3 . 18592 1 233 . 1 1 24 24 GLU C C 13 174.225 0.10 . 1 . . . A 380 GLU C . 18592 1 234 . 1 1 24 24 GLU CA C 13 58.376 0.10 . 1 . . . A 380 GLU CA . 18592 1 235 . 1 1 24 24 GLU CB C 13 32.156 0.10 . 1 . . . A 380 GLU CB . 18592 1 236 . 1 1 24 24 GLU CG C 13 36.688 0.10 . 1 . . . A 380 GLU CG . 18592 1 237 . 1 1 24 24 GLU N N 15 115.558 0.10 . 1 . . . A 380 GLU N . 18592 1 238 . 1 1 25 25 ASN H H 1 7.955 0.02 . 1 . . . A 381 ASN H . 18592 1 239 . 1 1 25 25 ASN HA H 1 5.729 0.02 . 1 . . . A 381 ASN HA . 18592 1 240 . 1 1 25 25 ASN HB2 H 1 2.401 0.02 . 2 . . . A 381 ASN HB2 . 18592 1 241 . 1 1 25 25 ASN HB3 H 1 3.376 0.02 . 2 . . . A 381 ASN HB3 . 18592 1 242 . 1 1 25 25 ASN HD21 H 1 7.842 0.02 . 2 . . . A 381 ASN HD21 . 18592 1 243 . 1 1 25 25 ASN HD22 H 1 6.938 0.02 . 2 . . . A 381 ASN HD22 . 18592 1 244 . 1 1 25 25 ASN C C 13 172.133 0.10 . 1 . . . A 381 ASN C . 18592 1 245 . 1 1 25 25 ASN CA C 13 52.225 0.10 . 1 . . . A 381 ASN CA . 18592 1 246 . 1 1 25 25 ASN CB C 13 42.105 0.10 . 1 . . . A 381 ASN CB . 18592 1 247 . 1 1 25 25 ASN N N 15 120.442 0.10 . 1 . . . A 381 ASN N . 18592 1 248 . 1 1 25 25 ASN ND2 N 15 114.273 0.10 . 1 . . . A 381 ASN ND2 . 18592 1 249 . 1 1 26 26 VAL H H 1 7.338 0.02 . 1 . . . A 382 VAL H . 18592 1 250 . 1 1 26 26 VAL HA H 1 4.890 0.02 . 1 . . . A 382 VAL HA . 18592 1 251 . 1 1 26 26 VAL HB H 1 1.044 0.02 . 1 . . . A 382 VAL HB . 18592 1 252 . 1 1 26 26 VAL HG11 H 1 0.577 0.02 . . . . . A 382 VAL QG1 . 18592 1 253 . 1 1 26 26 VAL HG12 H 1 0.577 0.02 . . . . . A 382 VAL QG1 . 18592 1 254 . 1 1 26 26 VAL HG13 H 1 0.577 0.02 . . . . . A 382 VAL QG1 . 18592 1 255 . 1 1 26 26 VAL HG21 H 1 -0.165 0.02 . . . . . A 382 VAL QG2 . 18592 1 256 . 1 1 26 26 VAL HG22 H 1 -0.165 0.02 . . . . . A 382 VAL QG2 . 18592 1 257 . 1 1 26 26 VAL HG23 H 1 -0.165 0.02 . . . . . A 382 VAL QG2 . 18592 1 258 . 1 1 26 26 VAL C C 13 174.072 0.10 . 1 . . . A 382 VAL C . 18592 1 259 . 1 1 26 26 VAL CA C 13 60.386 0.10 . 1 . . . A 382 VAL CA . 18592 1 260 . 1 1 26 26 VAL CB C 13 35.425 0.10 . 1 . . . A 382 VAL CB . 18592 1 261 . 1 1 26 26 VAL CG1 C 13 22.145 0.10 . 2 . . . A 382 VAL CG1 . 18592 1 262 . 1 1 26 26 VAL CG2 C 13 20.826 0.10 . 2 . . . A 382 VAL CG2 . 18592 1 263 . 1 1 26 26 VAL N N 15 115.815 0.10 . 1 . . . A 382 VAL N . 18592 1 264 . 1 1 27 27 PHE H H 1 9.180 0.02 . 1 . . . A 383 PHE H . 18592 1 265 . 1 1 27 27 PHE HA H 1 5.316 0.02 . 1 . . . A 383 PHE HA . 18592 1 266 . 1 1 27 27 PHE HB2 H 1 2.692 0.02 . 2 . . . A 383 PHE HB2 . 18592 1 267 . 1 1 27 27 PHE HB3 H 1 3.166 0.02 . 2 . . . A 383 PHE HB3 . 18592 1 268 . 1 1 27 27 PHE HD1 H 1 6.869 0.02 . 3 . . . A 383 PHE HD1 . 18592 1 269 . 1 1 27 27 PHE HD2 H 1 6.869 0.02 . 3 . . . A 383 PHE HD2 . 18592 1 270 . 1 1 27 27 PHE HE1 H 1 7.256 0.02 . 3 . . . A 383 PHE HE1 . 18592 1 271 . 1 1 27 27 PHE HE2 H 1 7.256 0.02 . 3 . . . A 383 PHE HE2 . 18592 1 272 . 1 1 27 27 PHE HZ H 1 7.301 0.02 . 1 . . . A 383 PHE HZ . 18592 1 273 . 1 1 27 27 PHE C C 13 174.592 0.10 . 1 . . . A 383 PHE C . 18592 1 274 . 1 1 27 27 PHE CA C 13 57.388 0.10 . 1 . . . A 383 PHE CA . 18592 1 275 . 1 1 27 27 PHE CB C 13 45.087 0.10 . 1 . . . A 383 PHE CB . 18592 1 276 . 1 1 27 27 PHE CD1 C 13 131.791 0.10 . 3 . . . A 383 PHE CD1 . 18592 1 277 . 1 1 27 27 PHE CE1 C 13 131.791 0.10 . 3 . . . A 383 PHE CE1 . 18592 1 278 . 1 1 27 27 PHE CZ C 13 130.496 0.10 . 1 . . . A 383 PHE CZ . 18592 1 279 . 1 1 27 27 PHE N N 15 124.554 0.10 . 1 . . . A 383 PHE N . 18592 1 280 . 1 1 28 28 GLN H H 1 8.828 0.02 . 1 . . . A 384 GLN H . 18592 1 281 . 1 1 28 28 GLN HA H 1 4.023 0.02 . 1 . . . A 384 GLN HA . 18592 1 282 . 1 1 28 28 GLN HB2 H 1 1.874 0.02 . 2 . . . A 384 GLN HB2 . 18592 1 283 . 1 1 28 28 GLN HB3 H 1 1.232 0.02 . 2 . . . A 384 GLN HB3 . 18592 1 284 . 1 1 28 28 GLN HG2 H 1 1.240 0.02 . 2 . . . A 384 GLN HG2 . 18592 1 285 . 1 1 28 28 GLN HG3 H 1 1.016 0.02 . 2 . . . A 384 GLN HG3 . 18592 1 286 . 1 1 28 28 GLN HE21 H 1 6.370 0.02 . 2 . . . A 384 GLN HE21 . 18592 1 287 . 1 1 28 28 GLN HE22 H 1 6.370 0.02 . 2 . . . A 384 GLN HE22 . 18592 1 288 . 1 1 28 28 GLN C C 13 174.408 0.10 . 1 . . . A 384 GLN C . 18592 1 289 . 1 1 28 28 GLN CA C 13 54.694 0.10 . 1 . . . A 384 GLN CA . 18592 1 290 . 1 1 28 28 GLN CB C 13 32.986 0.10 . 1 . . . A 384 GLN CB . 18592 1 291 . 1 1 28 28 GLN CG C 13 35.204 0.10 . 1 . . . A 384 GLN CG . 18592 1 292 . 1 1 28 28 GLN N N 15 121.984 0.10 . 1 . . . A 384 GLN N . 18592 1 293 . 1 1 28 28 GLN NE2 N 15 111.189 0.10 . 1 . . . A 384 GLN NE2 . 18592 1 294 . 1 1 29 29 ASP H H 1 9.528 0.02 . 1 . . . A 385 ASP H . 18592 1 295 . 1 1 29 29 ASP HA H 1 4.178 0.02 . 1 . . . A 385 ASP HA . 18592 1 296 . 1 1 29 29 ASP HB2 H 1 3.237 0.02 . 2 . . . A 385 ASP HB2 . 18592 1 297 . 1 1 29 29 ASP HB3 H 1 2.882 0.02 . 2 . . . A 385 ASP HB3 . 18592 1 298 . 1 1 29 29 ASP C C 13 176.394 0.10 . 1 . . . A 385 ASP C . 18592 1 299 . 1 1 29 29 ASP CA C 13 58.135 0.10 . 1 . . . A 385 ASP CA . 18592 1 300 . 1 1 29 29 ASP CB C 13 39.226 0.10 . 1 . . . A 385 ASP CB . 18592 1 301 . 1 1 29 29 ASP N N 15 127.382 0.10 . 1 . . . A 385 ASP N . 18592 1 302 . 1 1 30 30 SER H H 1 8.193 0.02 . 1 . . . A 386 SER H . 18592 1 303 . 1 1 30 30 SER HA H 1 4.606 0.02 . 1 . . . A 386 SER HA . 18592 1 304 . 1 1 30 30 SER HB2 H 1 4.013 0.02 . 2 . . . A 386 SER HB2 . 18592 1 305 . 1 1 30 30 SER HB3 H 1 4.013 0.02 . 2 . . . A 386 SER HB3 . 18592 1 306 . 1 1 30 30 SER C C 13 173.935 0.10 . 1 . . . A 386 SER C . 18592 1 307 . 1 1 30 30 SER CA C 13 58.700 0.10 . 1 . . . A 386 SER CA . 18592 1 308 . 1 1 30 30 SER CB C 13 63.999 0.10 . 1 . . . A 386 SER CB . 18592 1 309 . 1 1 30 30 SER N N 15 118.900 0.10 . 1 . . . A 386 SER N . 18592 1 310 . 1 1 31 31 ILE H H 1 8.929 0.02 . 1 . . . A 387 ILE H . 18592 1 311 . 1 1 31 31 ILE HA H 1 4.063 0.02 . 1 . . . A 387 ILE HA . 18592 1 312 . 1 1 31 31 ILE HB H 1 2.225 0.02 . 1 . . . A 387 ILE HB . 18592 1 313 . 1 1 31 31 ILE HG12 H 1 1.689 0.02 . 2 . . . A 387 ILE HG12 . 18592 1 314 . 1 1 31 31 ILE HG13 H 1 1.172 0.02 . 2 . . . A 387 ILE HG13 . 18592 1 315 . 1 1 31 31 ILE HG21 H 1 0.619 0.02 . . . . . A 387 ILE QG2 . 18592 1 316 . 1 1 31 31 ILE HG22 H 1 0.619 0.02 . . . . . A 387 ILE QG2 . 18592 1 317 . 1 1 31 31 ILE HG23 H 1 0.619 0.02 . . . . . A 387 ILE QG2 . 18592 1 318 . 1 1 31 31 ILE HD11 H 1 0.852 0.02 . . . . . A 387 ILE QD1 . 18592 1 319 . 1 1 31 31 ILE HD12 H 1 0.852 0.02 . . . . . A 387 ILE QD1 . 18592 1 320 . 1 1 31 31 ILE HD13 H 1 0.852 0.02 . . . . . A 387 ILE QD1 . 18592 1 321 . 1 1 31 31 ILE C C 13 175.248 0.10 . 1 . . . A 387 ILE C . 18592 1 322 . 1 1 31 31 ILE CA C 13 61.372 0.10 . 1 . . . A 387 ILE CA . 18592 1 323 . 1 1 31 31 ILE CB C 13 38.327 0.10 . 1 . . . A 387 ILE CB . 18592 1 324 . 1 1 31 31 ILE CG1 C 13 27.948 0.10 . 1 . . . A 387 ILE CG1 . 18592 1 325 . 1 1 31 31 ILE CG2 C 13 16.642 0.10 . 1 . . . A 387 ILE CG2 . 18592 1 326 . 1 1 31 31 ILE CD1 C 13 12.758 0.10 . 1 . . . A 387 ILE CD1 . 18592 1 327 . 1 1 31 31 ILE N N 15 125.325 0.10 . 1 . . . A 387 ILE N . 18592 1 328 . 1 1 32 32 LEU H H 1 8.487 0.02 . 1 . . . A 388 LEU H . 18592 1 329 . 1 1 32 32 LEU HA H 1 3.715 0.02 . 1 . . . A 388 LEU HA . 18592 1 330 . 1 1 32 32 LEU HB2 H 1 1.473 0.02 . 2 . . . A 388 LEU HB2 . 18592 1 331 . 1 1 32 32 LEU HB3 H 1 1.882 0.02 . 2 . . . A 388 LEU HB3 . 18592 1 332 . 1 1 32 32 LEU HG H 1 0.960 0.02 . 1 . . . A 388 LEU HG . 18592 1 333 . 1 1 32 32 LEU HD11 H 1 0.490 0.02 . . . . . A 388 LEU QD1 . 18592 1 334 . 1 1 32 32 LEU HD12 H 1 0.490 0.02 . . . . . A 388 LEU QD1 . 18592 1 335 . 1 1 32 32 LEU HD13 H 1 0.490 0.02 . . . . . A 388 LEU QD1 . 18592 1 336 . 1 1 32 32 LEU HD21 H 1 0.490 0.02 . . . . . A 388 LEU QD2 . 18592 1 337 . 1 1 32 32 LEU HD22 H 1 0.490 0.02 . . . . . A 388 LEU QD2 . 18592 1 338 . 1 1 32 32 LEU HD23 H 1 0.490 0.02 . . . . . A 388 LEU QD2 . 18592 1 339 . 1 1 32 32 LEU C C 13 176.058 0.10 . 1 . . . A 388 LEU C . 18592 1 340 . 1 1 32 32 LEU CA C 13 55.567 0.10 . 1 . . . A 388 LEU CA . 18592 1 341 . 1 1 32 32 LEU CB C 13 43.271 0.10 . 1 . . . A 388 LEU CB . 18592 1 342 . 1 1 32 32 LEU CG C 13 26.653 0.10 . 1 . . . A 388 LEU CG . 18592 1 343 . 1 1 32 32 LEU CD1 C 13 23.092 0.10 . 2 . . . A 388 LEU CD1 . 18592 1 344 . 1 1 32 32 LEU N N 15 129.952 0.10 . 1 . . . A 388 LEU N . 18592 1 345 . 1 1 33 33 LEU H H 1 9.143 0.02 . 1 . . . A 389 LEU H . 18592 1 346 . 1 1 33 33 LEU HA H 1 4.161 0.02 . 1 . . . A 389 LEU HA . 18592 1 347 . 1 1 33 33 LEU HB2 H 1 1.100 0.02 . 2 . . . A 389 LEU HB2 . 18592 1 348 . 1 1 33 33 LEU HB3 H 1 1.100 0.02 . 2 . . . A 389 LEU HB3 . 18592 1 349 . 1 1 33 33 LEU HG H 1 1.274 0.02 . 1 . . . A 389 LEU HG . 18592 1 350 . 1 1 33 33 LEU HD11 H 1 0.276 0.02 . . . . . A 389 LEU QD1 . 18592 1 351 . 1 1 33 33 LEU HD12 H 1 0.276 0.02 . . . . . A 389 LEU QD1 . 18592 1 352 . 1 1 33 33 LEU HD13 H 1 0.276 0.02 . . . . . A 389 LEU QD1 . 18592 1 353 . 1 1 33 33 LEU HD21 H 1 0.276 0.02 . . . . . A 389 LEU QD2 . 18592 1 354 . 1 1 33 33 LEU HD22 H 1 0.276 0.02 . . . . . A 389 LEU QD2 . 18592 1 355 . 1 1 33 33 LEU HD23 H 1 0.276 0.02 . . . . . A 389 LEU QD2 . 18592 1 356 . 1 1 33 33 LEU C C 13 175.126 0.10 . 1 . . . A 389 LEU C . 18592 1 357 . 1 1 33 33 LEU CA C 13 55.222 0.10 . 1 . . . A 389 LEU CA . 18592 1 358 . 1 1 33 33 LEU CB C 13 41.444 0.10 . 1 . . . A 389 LEU CB . 18592 1 359 . 1 1 33 33 LEU CG C 13 27.300 0.10 . 1 . . . A 389 LEU CG . 18592 1 360 . 1 1 33 33 LEU CD1 C 13 24.063 0.10 . 2 . . . A 389 LEU CD1 . 18592 1 361 . 1 1 33 33 LEU N N 15 128.667 0.10 . 1 . . . A 389 LEU N . 18592 1 362 . 1 1 34 34 GLY H H 1 6.327 0.02 . 1 . . . A 390 GLY H . 18592 1 363 . 1 1 34 34 GLY HA2 H 1 3.161 0.02 . 2 . . . A 390 GLY HA2 . 18592 1 364 . 1 1 34 34 GLY HA3 H 1 3.774 0.02 . 2 . . . A 390 GLY HA3 . 18592 1 365 . 1 1 34 34 GLY C C 13 171.140 0.10 . 1 . . . A 390 GLY C . 18592 1 366 . 1 1 34 34 GLY CA C 13 45.751 0.10 . 1 . . . A 390 GLY CA . 18592 1 367 . 1 1 34 34 GLY N N 15 96.301 0.10 . 1 . . . A 390 GLY N . 18592 1 368 . 1 1 35 35 ASN H H 1 9.271 0.02 . 1 . . . A 391 ASN H . 18592 1 369 . 1 1 35 35 ASN HA H 1 5.819 0.02 . 1 . . . A 391 ASN HA . 18592 1 370 . 1 1 35 35 ASN HB2 H 1 2.951 0.02 . 2 . . . A 391 ASN HB2 . 18592 1 371 . 1 1 35 35 ASN HB3 H 1 2.794 0.02 . 2 . . . A 391 ASN HB3 . 18592 1 372 . 1 1 35 35 ASN HD21 H 1 7.578 0.02 . 2 . . . A 391 ASN HD21 . 18592 1 373 . 1 1 35 35 ASN HD22 H 1 6.814 0.02 . 2 . . . A 391 ASN HD22 . 18592 1 374 . 1 1 35 35 ASN C C 13 176.882 0.10 . 1 . . . A 391 ASN C . 18592 1 375 . 1 1 35 35 ASN CA C 13 52.209 0.10 . 1 . . . A 391 ASN CA . 18592 1 376 . 1 1 35 35 ASN CB C 13 41.951 0.10 . 1 . . . A 391 ASN CB . 18592 1 377 . 1 1 35 35 ASN N N 15 119.928 0.10 . 1 . . . A 391 ASN N . 18592 1 378 . 1 1 35 35 ASN ND2 N 15 112.735 0.10 . 1 . . . A 391 ASN ND2 . 18592 1 379 . 1 1 36 36 PHE H H 1 8.662 0.02 . 1 . . . A 392 PHE H . 18592 1 380 . 1 1 36 36 PHE HA H 1 3.187 0.02 . 1 . . . A 392 PHE HA . 18592 1 381 . 1 1 36 36 PHE HB2 H 1 2.431 0.02 . 2 . . . A 392 PHE HB2 . 18592 1 382 . 1 1 36 36 PHE HB3 H 1 2.619 0.02 . 2 . . . A 392 PHE HB3 . 18592 1 383 . 1 1 36 36 PHE HD1 H 1 7.085 0.02 . 3 . . . A 392 PHE HD1 . 18592 1 384 . 1 1 36 36 PHE HD2 H 1 7.085 0.02 . 3 . . . A 392 PHE HD2 . 18592 1 385 . 1 1 36 36 PHE HE1 H 1 7.081 0.02 . 3 . . . A 392 PHE HE1 . 18592 1 386 . 1 1 36 36 PHE HE2 H 1 7.081 0.02 . 3 . . . A 392 PHE HE2 . 18592 1 387 . 1 1 36 36 PHE HZ H 1 7.036 0.02 . 1 . . . A 392 PHE HZ . 18592 1 388 . 1 1 36 36 PHE CA C 13 61.613 0.10 . 1 . . . A 392 PHE CA . 18592 1 389 . 1 1 36 36 PHE CB C 13 38.630 0.10 . 1 . . . A 392 PHE CB . 18592 1 390 . 1 1 36 36 PHE CD2 C 13 133.862 0.10 . 3 . . . A 392 PHE CD2 . 18592 1 391 . 1 1 36 36 PHE CE2 C 13 133.862 0.10 . 3 . . . A 392 PHE CE2 . 18592 1 392 . 1 1 36 36 PHE CZ C 13 130.237 0.10 . 1 . . . A 392 PHE CZ . 18592 1 393 . 1 1 36 36 PHE N N 15 124.297 0.10 . 1 . . . A 392 PHE N . 18592 1 394 . 1 1 37 37 ALA H H 1 8.500 0.02 . 1 . . . A 393 ALA H . 18592 1 395 . 1 1 37 37 ALA HA H 1 4.312 0.02 . 1 . . . A 393 ALA HA . 18592 1 396 . 1 1 37 37 ALA HB1 H 1 1.060 0.02 . . . . . A 393 ALA QB . 18592 1 397 . 1 1 37 37 ALA HB2 H 1 1.060 0.02 . . . . . A 393 ALA QB . 18592 1 398 . 1 1 37 37 ALA HB3 H 1 1.060 0.02 . . . . . A 393 ALA QB . 18592 1 399 . 1 1 37 37 ALA C C 13 175.936 0.10 . 1 . . . A 393 ALA C . 18592 1 400 . 1 1 37 37 ALA CA C 13 52.993 0.10 . 1 . . . A 393 ALA CA . 18592 1 401 . 1 1 37 37 ALA CB C 13 21.700 0.10 . 1 . . . A 393 ALA CB . 18592 1 402 . 1 1 37 37 ALA N N 15 129.952 0.10 . 1 . . . A 393 ALA N . 18592 1 403 . 1 1 38 38 SER H H 1 6.747 0.02 . 1 . . . A 394 SER H . 18592 1 404 . 1 1 38 38 SER HA H 1 4.256 0.02 . 1 . . . A 394 SER HA . 18592 1 405 . 1 1 38 38 SER HB2 H 1 3.763 0.02 . 2 . . . A 394 SER HB2 . 18592 1 406 . 1 1 38 38 SER HB3 H 1 3.763 0.02 . 2 . . . A 394 SER HB3 . 18592 1 407 . 1 1 38 38 SER C C 13 170.972 0.10 . 1 . . . A 394 SER C . 18592 1 408 . 1 1 38 38 SER CA C 13 58.531 0.10 . 1 . . . A 394 SER CA . 18592 1 409 . 1 1 38 38 SER CB C 13 64.801 0.10 . 1 . . . A 394 SER CB . 18592 1 410 . 1 1 38 38 SER N N 15 108.361 0.10 . 1 . . . A 394 SER N . 18592 1 411 . 1 1 39 39 GLN H H 1 8.717 0.02 . 1 . . . A 395 GLN H . 18592 1 412 . 1 1 39 39 GLN HA H 1 4.644 0.02 . 1 . . . A 395 GLN HA . 18592 1 413 . 1 1 39 39 GLN HB2 H 1 2.034 0.02 . 2 . . . A 395 GLN HB2 . 18592 1 414 . 1 1 39 39 GLN HB3 H 1 1.906 0.02 . 2 . . . A 395 GLN HB3 . 18592 1 415 . 1 1 39 39 GLN HG2 H 1 2.198 0.02 . 2 . . . A 395 GLN HG2 . 18592 1 416 . 1 1 39 39 GLN HG3 H 1 2.198 0.02 . 2 . . . A 395 GLN HG3 . 18592 1 417 . 1 1 39 39 GLN HE21 H 1 7.046 0.02 . 2 . . . A 395 GLN HE21 . 18592 1 418 . 1 1 39 39 GLN HE22 H 1 6.420 0.02 . 2 . . . A 395 GLN HE22 . 18592 1 419 . 1 1 39 39 GLN CA C 13 55.139 0.10 . 1 . . . A 395 GLN CA . 18592 1 420 . 1 1 39 39 GLN CB C 13 31.832 0.10 . 1 . . . A 395 GLN CB . 18592 1 421 . 1 1 39 39 GLN CG C 13 36.040 0.10 . 1 . . . A 395 GLN CG . 18592 1 422 . 1 1 39 39 GLN N N 15 121.213 0.10 . 1 . . . A 395 GLN N . 18592 1 423 . 1 1 39 39 GLN NE2 N 15 111.703 0.10 . 1 . . . A 395 GLN NE2 . 18592 1 424 . 1 1 40 40 GLU H H 1 8.820 0.02 . 1 . . . A 396 GLU H . 18592 1 425 . 1 1 40 40 GLU HA H 1 4.422 0.02 . 1 . . . A 396 GLU HA . 18592 1 426 . 1 1 40 40 GLU HB2 H 1 2.654 0.02 . 2 . . . A 396 GLU HB2 . 18592 1 427 . 1 1 40 40 GLU HB3 H 1 2.433 0.02 . 2 . . . A 396 GLU HB3 . 18592 1 428 . 1 1 40 40 GLU HG2 H 1 2.178 0.02 . 2 . . . A 396 GLU HG2 . 18592 1 429 . 1 1 40 40 GLU HG3 H 1 2.231 0.02 . 2 . . . A 396 GLU HG3 . 18592 1 430 . 1 1 40 40 GLU CA C 13 57.405 0.10 . 1 . . . A 396 GLU CA . 18592 1 431 . 1 1 40 40 GLU CB C 13 32.480 0.10 . 1 . . . A 396 GLU CB . 18592 1 432 . 1 1 40 40 GLU CG C 13 33.451 0.10 . 1 . . . A 396 GLU CG . 18592 1 433 . 1 1 40 40 GLU N N 15 128.153 0.10 . 1 . . . A 396 GLU N . 18592 1 434 . 1 1 41 41 GLY H H 1 8.894 0.02 . 1 . . . A 397 GLY H . 18592 1 435 . 1 1 41 41 GLY HA2 H 1 3.763 0.02 . 2 . . . A 397 GLY HA2 . 18592 1 436 . 1 1 41 41 GLY HA3 H 1 4.069 0.02 . 2 . . . A 397 GLY HA3 . 18592 1 437 . 1 1 41 41 GLY C C 13 174.332 0.10 . 1 . . . A 397 GLY C . 18592 1 438 . 1 1 41 41 GLY CA C 13 48.017 0.10 . 1 . . . A 397 GLY CA . 18592 1 439 . 1 1 42 42 ASN H H 1 8.879 0.02 . 1 . . . A 398 ASN H . 18592 1 440 . 1 1 42 42 ASN HA H 1 4.915 0.02 . 1 . . . A 398 ASN HA . 18592 1 441 . 1 1 42 42 ASN HB2 H 1 3.338 0.02 . 2 . . . A 398 ASN HB2 . 18592 1 442 . 1 1 42 42 ASN HB3 H 1 3.338 0.02 . 2 . . . A 398 ASN HB3 . 18592 1 443 . 1 1 42 42 ASN HD21 H 1 7.025 0.02 . 2 . . . A 398 ASN HD21 . 18592 1 444 . 1 1 42 42 ASN HD22 H 1 7.482 0.02 . 2 . . . A 398 ASN HD22 . 18592 1 445 . 1 1 42 42 ASN C C 13 172.835 0.10 . 1 . . . A 398 ASN C . 18592 1 446 . 1 1 42 42 ASN CA C 13 53.176 0.10 . 1 . . . A 398 ASN CA . 18592 1 447 . 1 1 42 42 ASN CB C 13 38.306 0.10 . 1 . . . A 398 ASN CB . 18592 1 448 . 1 1 42 42 ASN N N 15 127.382 0.10 . 1 . . . A 398 ASN N . 18592 1 449 . 1 1 42 42 ASN ND2 N 15 112.352 0.10 . 1 . . . A 398 ASN ND2 . 18592 1 450 . 1 1 43 43 VAL H H 1 7.931 0.02 . 1 . . . A 399 VAL H . 18592 1 451 . 1 1 43 43 VAL HA H 1 4.924 0.02 . 1 . . . A 399 VAL HA . 18592 1 452 . 1 1 43 43 VAL HB H 1 2.327 0.02 . 1 . . . A 399 VAL HB . 18592 1 453 . 1 1 43 43 VAL HG11 H 1 1.036 0.02 . . . . . A 399 VAL QG1 . 18592 1 454 . 1 1 43 43 VAL HG12 H 1 1.036 0.02 . . . . . A 399 VAL QG1 . 18592 1 455 . 1 1 43 43 VAL HG13 H 1 1.036 0.02 . . . . . A 399 VAL QG1 . 18592 1 456 . 1 1 43 43 VAL HG21 H 1 0.817 0.02 . . . . . A 399 VAL QG2 . 18592 1 457 . 1 1 43 43 VAL HG22 H 1 0.817 0.02 . . . . . A 399 VAL QG2 . 18592 1 458 . 1 1 43 43 VAL HG23 H 1 0.817 0.02 . . . . . A 399 VAL QG2 . 18592 1 459 . 1 1 43 43 VAL C C 13 175.691 0.10 . 1 . . . A 399 VAL C . 18592 1 460 . 1 1 43 43 VAL CA C 13 62.260 0.10 . 1 . . . A 399 VAL CA . 18592 1 461 . 1 1 43 43 VAL CB C 13 33.383 0.10 . 1 . . . A 399 VAL CB . 18592 1 462 . 1 1 43 43 VAL CG1 C 13 22.155 0.10 . 2 . . . A 399 VAL CG1 . 18592 1 463 . 1 1 43 43 VAL CG2 C 13 22.145 0.10 . 2 . . . A 399 VAL CG2 . 18592 1 464 . 1 1 43 43 VAL N N 15 118.900 0.10 . 1 . . . A 399 VAL N . 18592 1 465 . 1 1 44 44 LEU H H 1 9.842 0.02 . 1 . . . A 400 LEU H . 18592 1 466 . 1 1 44 44 LEU HA H 1 5.022 0.02 . 1 . . . A 400 LEU HA . 18592 1 467 . 1 1 44 44 LEU HB2 H 1 2.000 0.02 . 2 . . . A 400 LEU HB2 . 18592 1 468 . 1 1 44 44 LEU HB3 H 1 1.651 0.02 . 2 . . . A 400 LEU HB3 . 18592 1 469 . 1 1 44 44 LEU HG H 1 1.656 0.02 . 1 . . . A 400 LEU HG . 18592 1 470 . 1 1 44 44 LEU HD11 H 1 0.755 0.02 . . . . . A 400 LEU QD1 . 18592 1 471 . 1 1 44 44 LEU HD12 H 1 0.755 0.02 . . . . . A 400 LEU QD1 . 18592 1 472 . 1 1 44 44 LEU HD13 H 1 0.755 0.02 . . . . . A 400 LEU QD1 . 18592 1 473 . 1 1 44 44 LEU HD21 H 1 0.477 0.02 . . . . . A 400 LEU QD2 . 18592 1 474 . 1 1 44 44 LEU HD22 H 1 0.477 0.02 . . . . . A 400 LEU QD2 . 18592 1 475 . 1 1 44 44 LEU HD23 H 1 0.477 0.02 . . . . . A 400 LEU QD2 . 18592 1 476 . 1 1 44 44 LEU C C 13 174.866 0.10 . 1 . . . A 400 LEU C . 18592 1 477 . 1 1 44 44 LEU CA C 13 55.301 0.10 . 1 . . . A 400 LEU CA . 18592 1 478 . 1 1 44 44 LEU CB C 13 45.099 0.10 . 1 . . . A 400 LEU CB . 18592 1 479 . 1 1 44 44 LEU CG C 13 30.214 0.10 . 1 . . . A 400 LEU CG . 18592 1 480 . 1 1 44 44 LEU CD1 C 13 25.035 0.10 . 2 . . . A 400 LEU CD1 . 18592 1 481 . 1 1 44 44 LEU CD2 C 13 26.006 0.10 . 2 . . . A 400 LEU CD2 . 18592 1 482 . 1 1 44 44 LEU N N 15 129.952 0.10 . 1 . . . A 400 LEU N . 18592 1 483 . 1 1 45 45 LYS H H 1 9.184 0.02 . 1 . . . A 401 LYS H . 18592 1 484 . 1 1 45 45 LYS HA H 1 4.907 0.02 . 1 . . . A 401 LYS HA . 18592 1 485 . 1 1 45 45 LYS HB2 H 1 1.829 0.02 . 2 . . . A 401 LYS HB2 . 18592 1 486 . 1 1 45 45 LYS HB3 H 1 1.700 0.02 . 2 . . . A 401 LYS HB3 . 18592 1 487 . 1 1 45 45 LYS HG2 H 1 1.361 0.02 . 2 . . . A 401 LYS HG2 . 18592 1 488 . 1 1 45 45 LYS HG3 H 1 1.254 0.02 . 2 . . . A 401 LYS HG3 . 18592 1 489 . 1 1 45 45 LYS HD2 H 1 1.577 0.02 . 2 . . . A 401 LYS HD2 . 18592 1 490 . 1 1 45 45 LYS HD3 H 1 1.577 0.02 . 2 . . . A 401 LYS HD3 . 18592 1 491 . 1 1 45 45 LYS HE2 H 1 2.964 0.02 . 2 . . . A 401 LYS HE2 . 18592 1 492 . 1 1 45 45 LYS HE3 H 1 2.820 0.02 . 2 . . . A 401 LYS HE3 . 18592 1 493 . 1 1 45 45 LYS C C 13 174.790 0.10 . 1 . . . A 401 LYS C . 18592 1 494 . 1 1 45 45 LYS CA C 13 56.670 0.10 . 1 . . . A 401 LYS CA . 18592 1 495 . 1 1 45 45 LYS CB C 13 33.451 0.10 . 1 . . . A 401 LYS CB . 18592 1 496 . 1 1 45 45 LYS CG C 13 26.329 0.10 . 1 . . . A 401 LYS CG . 18592 1 497 . 1 1 45 45 LYS CD C 13 29.566 0.10 . 1 . . . A 401 LYS CD . 18592 1 498 . 1 1 45 45 LYS CE C 13 42.514 0.10 . 1 . . . A 401 LYS CE . 18592 1 499 . 1 1 45 45 LYS N N 15 123.012 0.10 . 1 . . . A 401 LYS N . 18592 1 500 . 1 1 46 46 TYR H H 1 9.357 0.02 . 1 . . . A 402 TYR H . 18592 1 501 . 1 1 46 46 TYR HA H 1 4.852 0.02 . 1 . . . A 402 TYR HA . 18592 1 502 . 1 1 46 46 TYR HB2 H 1 3.167 0.02 . 2 . . . A 402 TYR HB2 . 18592 1 503 . 1 1 46 46 TYR HB3 H 1 2.115 0.02 . 2 . . . A 402 TYR HB3 . 18592 1 504 . 1 1 46 46 TYR HD1 H 1 7.077 0.02 . 3 . . . A 402 TYR HD1 . 18592 1 505 . 1 1 46 46 TYR HD2 H 1 7.077 0.02 . 3 . . . A 402 TYR HD2 . 18592 1 506 . 1 1 46 46 TYR HE1 H 1 6.607 0.02 . 3 . . . A 402 TYR HE1 . 18592 1 507 . 1 1 46 46 TYR HE2 H 1 6.607 0.02 . 3 . . . A 402 TYR HE2 . 18592 1 508 . 1 1 46 46 TYR C C 13 175.264 0.10 . 1 . . . A 402 TYR C . 18592 1 509 . 1 1 46 46 TYR CA C 13 56.439 0.10 . 1 . . . A 402 TYR CA . 18592 1 510 . 1 1 46 46 TYR CB C 13 38.954 0.10 . 1 . . . A 402 TYR CB . 18592 1 511 . 1 1 46 46 TYR CD2 C 13 134.121 0.10 . 3 . . . A 402 TYR CD2 . 18592 1 512 . 1 1 46 46 TYR CE2 C 13 118.325 0.10 . 3 . . . A 402 TYR CE2 . 18592 1 513 . 1 1 46 46 TYR N N 15 124.554 0.10 . 1 . . . A 402 TYR N . 18592 1 514 . 1 1 47 47 GLU H H 1 8.892 0.02 . 1 . . . A 403 GLU H . 18592 1 515 . 1 1 47 47 GLU HA H 1 4.969 0.02 . 1 . . . A 403 GLU HA . 18592 1 516 . 1 1 47 47 GLU HB2 H 1 2.089 0.02 . 2 . . . A 403 GLU HB2 . 18592 1 517 . 1 1 47 47 GLU HB3 H 1 1.813 0.02 . 2 . . . A 403 GLU HB3 . 18592 1 518 . 1 1 47 47 GLU HG2 H 1 2.156 0.02 . 2 . . . A 403 GLU HG2 . 18592 1 519 . 1 1 47 47 GLU HG3 H 1 1.984 0.02 . 2 . . . A 403 GLU HG3 . 18592 1 520 . 1 1 47 47 GLU C C 13 175.981 0.10 . 1 . . . A 403 GLU C . 18592 1 521 . 1 1 47 47 GLU CA C 13 54.957 0.10 . 1 . . . A 403 GLU CA . 18592 1 522 . 1 1 47 47 GLU CB C 13 35.114 0.10 . 1 . . . A 403 GLU CB . 18592 1 523 . 1 1 47 47 GLU CG C 13 36.364 0.10 . 1 . . . A 403 GLU CG . 18592 1 524 . 1 1 47 47 GLU N N 15 120.442 0.10 . 1 . . . A 403 GLU N . 18592 1 525 . 1 1 48 48 ASN H H 1 9.778 0.02 . 1 . . . A 404 ASN H . 18592 1 526 . 1 1 48 48 ASN HA H 1 4.048 0.02 . 1 . . . A 404 ASN HA . 18592 1 527 . 1 1 48 48 ASN HB2 H 1 2.902 0.02 . 2 . . . A 404 ASN HB2 . 18592 1 528 . 1 1 48 48 ASN HB3 H 1 2.970 0.02 . 2 . . . A 404 ASN HB3 . 18592 1 529 . 1 1 48 48 ASN HD21 H 1 7.499 0.02 . 2 . . . A 404 ASN HD21 . 18592 1 530 . 1 1 48 48 ASN HD22 H 1 6.836 0.02 . 2 . . . A 404 ASN HD22 . 18592 1 531 . 1 1 48 48 ASN C C 13 175.416 0.10 . 1 . . . A 404 ASN C . 18592 1 532 . 1 1 48 48 ASN CA C 13 55.073 0.10 . 1 . . . A 404 ASN CA . 18592 1 533 . 1 1 48 48 ASN CB C 13 36.965 0.10 . 1 . . . A 404 ASN CB . 18592 1 534 . 1 1 48 48 ASN N N 15 116.586 0.10 . 1 . . . A 404 ASN N . 18592 1 535 . 1 1 48 48 ASN ND2 N 15 114.041 0.10 . 1 . . . A 404 ASN ND2 . 18592 1 536 . 1 1 49 49 GLY H H 1 8.673 0.02 . 1 . . . A 405 GLY H . 18592 1 537 . 1 1 49 49 GLY HA2 H 1 3.725 0.02 . 2 . . . A 405 GLY HA2 . 18592 1 538 . 1 1 49 49 GLY HA3 H 1 3.274 0.02 . 2 . . . A 405 GLY HA3 . 18592 1 539 . 1 1 49 49 GLY C C 13 172.713 0.10 . 1 . . . A 405 GLY C . 18592 1 540 . 1 1 49 49 GLY CA C 13 44.107 0.10 . 1 . . . A 405 GLY CA . 18592 1 541 . 1 1 49 49 GLY N N 15 104.249 0.10 . 1 . . . A 405 GLY N . 18592 1 542 . 1 1 50 50 GLN H H 1 8.328 0.02 . 1 . . . A 406 GLN H . 18592 1 543 . 1 1 50 50 GLN HA H 1 4.339 0.02 . 1 . . . A 406 GLN HA . 18592 1 544 . 1 1 50 50 GLN HB2 H 1 2.047 0.02 . 2 . . . A 406 GLN HB2 . 18592 1 545 . 1 1 50 50 GLN HB3 H 1 2.317 0.02 . 2 . . . A 406 GLN HB3 . 18592 1 546 . 1 1 50 50 GLN HG2 H 1 2.671 0.02 . 2 . . . A 406 GLN HG2 . 18592 1 547 . 1 1 50 50 GLN HG3 H 1 2.608 0.02 . 2 . . . A 406 GLN HG3 . 18592 1 548 . 1 1 50 50 GLN HE21 H 1 7.020 0.02 . 2 . . . A 406 GLN HE21 . 18592 1 549 . 1 1 50 50 GLN HE22 H 1 7.716 0.02 . 2 . . . A 406 GLN HE22 . 18592 1 550 . 1 1 50 50 GLN C C 13 178.227 0.10 . 1 . . . A 406 GLN C . 18592 1 551 . 1 1 50 50 GLN CA C 13 57.489 0.10 . 1 . . . A 406 GLN CA . 18592 1 552 . 1 1 50 50 GLN CB C 13 29.890 0.10 . 1 . . . A 406 GLN CB . 18592 1 553 . 1 1 50 50 GLN CG C 13 35.069 0.10 . 1 . . . A 406 GLN CG . 18592 1 554 . 1 1 50 50 GLN N N 15 117.990 0.10 . 1 . . . A 406 GLN N . 18592 1 555 . 1 1 50 50 GLN NE2 N 15 112.679 0.10 . 1 . . . A 406 GLN NE2 . 18592 1 556 . 1 1 51 51 SER H H 1 8.928 0.02 . 1 . . . A 407 SER H . 18592 1 557 . 1 1 51 51 SER HA H 1 4.307 0.02 . 1 . . . A 407 SER HA . 18592 1 558 . 1 1 51 51 SER HB2 H 1 3.901 0.02 . 2 . . . A 407 SER HB2 . 18592 1 559 . 1 1 51 51 SER HB3 H 1 3.901 0.02 . 2 . . . A 407 SER HB3 . 18592 1 560 . 1 1 51 51 SER C C 13 174.775 0.10 . 1 . . . A 407 SER C . 18592 1 561 . 1 1 51 51 SER CA C 13 60.965 0.10 . 1 . . . A 407 SER CA . 18592 1 562 . 1 1 51 51 SER CB C 13 63.555 0.10 . 1 . . . A 407 SER CB . 18592 1 563 . 1 1 51 51 SER N N 15 122.241 0.10 . 1 . . . A 407 SER N . 18592 1 564 . 1 1 52 52 CYS H H 1 8.477 0.02 . . . . . A 408 CYS H . 18592 1 565 . 1 1 52 52 CYS HA H 1 4.743 0.02 . . . . . A 408 CYS HA . 18592 1 566 . 1 1 52 52 CYS HB2 H 1 3.309 0.02 . . . . . A 408 CYS HB2 . 18592 1 567 . 1 1 52 52 CYS HB3 H 1 3.246 0.02 . . . . . A 408 CYS HB3 . 18592 1 568 . 1 1 52 52 CYS C C 13 178.776 0.10 . . . . . A 408 CYS C . 18592 1 569 . 1 1 52 52 CYS CA C 13 55.139 0.10 . . . . . A 408 CYS CA . 18592 1 570 . 1 1 52 52 CYS CB C 13 44.133 0.10 . . . . . A 408 CYS CB . 18592 1 571 . 1 1 52 52 CYS N N 15 123.030 0.10 . . . . . A 408 CYS N . 18592 1 572 . 1 1 53 53 TRP H H 1 8.483 0.02 . 1 . . . A 409 TRP H . 18592 1 573 . 1 1 53 53 TRP HA H 1 4.369 0.02 . 1 . . . A 409 TRP HA . 18592 1 574 . 1 1 53 53 TRP HB2 H 1 3.384 0.02 . 2 . . . A 409 TRP HB2 . 18592 1 575 . 1 1 53 53 TRP HB3 H 1 3.237 0.02 . 2 . . . A 409 TRP HB3 . 18592 1 576 . 1 1 53 53 TRP HD1 H 1 7.315 0.02 . 1 . . . A 409 TRP HD1 . 18592 1 577 . 1 1 53 53 TRP HE1 H 1 10.177 0.02 . 1 . . . A 409 TRP HE1 . 18592 1 578 . 1 1 53 53 TRP HE3 H 1 7.603 0.02 . 1 . . . A 409 TRP HE3 . 18592 1 579 . 1 1 53 53 TRP HZ2 H 1 7.493 0.02 . 1 . . . A 409 TRP HZ2 . 18592 1 580 . 1 1 53 53 TRP HZ3 H 1 7.152 0.02 . 1 . . . A 409 TRP HZ3 . 18592 1 581 . 1 1 53 53 TRP C C 13 176.684 0.10 . 1 . . . A 409 TRP C . 18592 1 582 . 1 1 53 53 TRP CA C 13 59.671 0.10 . 1 . . . A 409 TRP CA . 18592 1 583 . 1 1 53 53 TRP CB C 13 28.272 0.10 . 1 . . . A 409 TRP CB . 18592 1 584 . 1 1 53 53 TRP CD1 C 13 127.433 0.10 . 1 . . . A 409 TRP CD1 . 18592 1 585 . 1 1 53 53 TRP CE3 C 13 121.129 0.10 . 1 . . . A 409 TRP CE3 . 18592 1 586 . 1 1 53 53 TRP CZ2 C 13 114.879 0.10 . 1 . . . A 409 TRP CZ2 . 18592 1 587 . 1 1 53 53 TRP CZ3 C 13 121.950 0.10 . 1 . . . A 409 TRP CZ3 . 18592 1 588 . 1 1 53 53 TRP N N 15 129.952 0.10 . 1 . . . A 409 TRP N . 18592 1 589 . 1 1 53 53 TRP NE1 N 15 129.964 0.10 . 1 . . . A 409 TRP NE1 . 18592 1 590 . 1 1 54 54 ASN H H 1 8.130 0.02 . 1 . . . A 410 ASN H . 18592 1 591 . 1 1 54 54 ASN HA H 1 4.261 0.02 . 1 . . . A 410 ASN HA . 18592 1 592 . 1 1 54 54 ASN HB2 H 1 2.327 0.02 . 2 . . . A 410 ASN HB2 . 18592 1 593 . 1 1 54 54 ASN HB3 H 1 2.068 0.02 . 2 . . . A 410 ASN HB3 . 18592 1 594 . 1 1 54 54 ASN HD21 H 1 7.031 0.02 . 2 . . . A 410 ASN HD21 . 18592 1 595 . 1 1 54 54 ASN HD22 H 1 6.511 0.02 . 2 . . . A 410 ASN HD22 . 18592 1 596 . 1 1 54 54 ASN C C 13 174.668 0.10 . 1 . . . A 410 ASN C . 18592 1 597 . 1 1 54 54 ASN CA C 13 53.197 0.10 . 1 . . . A 410 ASN CA . 18592 1 598 . 1 1 54 54 ASN CB C 13 37.335 0.10 . 1 . . . A 410 ASN CB . 18592 1 599 . 1 1 54 54 ASN N N 15 120.956 0.10 . 1 . . . A 410 ASN N . 18592 1 600 . 1 1 54 54 ASN ND2 N 15 111.055 0.10 . 1 . . . A 410 ASN ND2 . 18592 1 601 . 1 1 55 55 GLY H H 1 7.478 0.02 . 1 . . . A 411 GLY H . 18592 1 602 . 1 1 55 55 GLY HA2 H 1 4.250 0.02 . 2 . . . A 411 GLY HA2 . 18592 1 603 . 1 1 55 55 GLY HA3 H 1 3.866 0.02 . 2 . . . A 411 GLY HA3 . 18592 1 604 . 1 1 55 55 GLY CA C 13 45.428 0.10 . 1 . . . A 411 GLY CA . 18592 1 605 . 1 1 55 55 GLY N N 15 106.806 0.10 . 1 . . . A 411 GLY N . 18592 1 606 . 1 1 56 56 PRO HA H 1 4.583 0.02 . 1 . . . A 412 PRO HA . 18592 1 607 . 1 1 56 56 PRO HB2 H 1 2.017 0.02 . 2 . . . A 412 PRO HB2 . 18592 1 608 . 1 1 56 56 PRO HB3 H 1 2.250 0.02 . 2 . . . A 412 PRO HB3 . 18592 1 609 . 1 1 56 56 PRO HG2 H 1 1.849 0.02 . 2 . . . A 412 PRO HG2 . 18592 1 610 . 1 1 56 56 PRO HG3 H 1 2.060 0.02 . 2 . . . A 412 PRO HG3 . 18592 1 611 . 1 1 56 56 PRO HD2 H 1 3.462 0.02 . 2 . . . A 412 PRO HD2 . 18592 1 612 . 1 1 56 56 PRO HD3 H 1 3.462 0.02 . 2 . . . A 412 PRO HD3 . 18592 1 613 . 1 1 56 56 PRO C C 13 176.562 0.10 . 1 . . . A 412 PRO C . 18592 1 614 . 1 1 56 56 PRO CA C 13 63.231 0.10 . 1 . . . A 412 PRO CA . 18592 1 615 . 1 1 56 56 PRO CB C 13 32.803 0.10 . 1 . . . A 412 PRO CB . 18592 1 616 . 1 1 56 56 PRO CG C 13 26.977 0.10 . 1 . . . A 412 PRO CG . 18592 1 617 . 1 1 56 56 PRO CD C 13 49.960 0.10 . 1 . . . A 412 PRO CD . 18592 1 618 . 1 1 57 57 HIS H H 1 8.154 0.02 . 1 . . . A 413 HIS H . 18592 1 619 . 1 1 57 57 HIS HA H 1 4.302 0.02 . 1 . . . A 413 HIS HA . 18592 1 620 . 1 1 57 57 HIS HB2 H 1 3.118 0.02 . 2 . . . A 413 HIS HB2 . 18592 1 621 . 1 1 57 57 HIS HB3 H 1 3.401 0.02 . 2 . . . A 413 HIS HB3 . 18592 1 622 . 1 1 57 57 HIS HD2 H 1 7.313 0.02 . 1 . . . A 413 HIS HD2 . 18592 1 623 . 1 1 57 57 HIS HE1 H 1 8.185 0.02 . 1 . . . A 413 HIS HE1 . 18592 1 624 . 1 1 57 57 HIS C C 13 175.997 0.10 . 1 . . . A 413 HIS C . 18592 1 625 . 1 1 57 57 HIS CA C 13 57.728 0.10 . 1 . . . A 413 HIS CA . 18592 1 626 . 1 1 57 57 HIS CB C 13 30.266 0.10 . 1 . . . A 413 HIS CB . 18592 1 627 . 1 1 57 57 HIS CD2 C 13 122.727 0.10 . 1 . . . A 413 HIS CD2 . 18592 1 628 . 1 1 57 57 HIS CE1 C 13 138.005 0.10 . 1 . . . A 413 HIS CE1 . 18592 1 629 . 1 1 57 57 HIS N N 15 115.245 0.10 . 1 . . . A 413 HIS N . 18592 1 630 . 1 1 58 58 ARG H H 1 7.210 0.02 . 1 . . . A 414 ARG H . 18592 1 631 . 1 1 58 58 ARG HA H 1 5.028 0.02 . 1 . . . A 414 ARG HA . 18592 1 632 . 1 1 58 58 ARG HB2 H 1 1.639 0.02 . 2 . . . A 414 ARG HB2 . 18592 1 633 . 1 1 58 58 ARG HB3 H 1 2.233 0.02 . 2 . . . A 414 ARG HB3 . 18592 1 634 . 1 1 58 58 ARG HG2 H 1 2.093 0.02 . 2 . . . A 414 ARG HG2 . 18592 1 635 . 1 1 58 58 ARG HG3 H 1 2.425 0.02 . 2 . . . A 414 ARG HG3 . 18592 1 636 . 1 1 58 58 ARG HD2 H 1 3.104 0.02 . 2 . . . A 414 ARG HD2 . 18592 1 637 . 1 1 58 58 ARG HD3 H 1 3.104 0.02 . 2 . . . A 414 ARG HD3 . 18592 1 638 . 1 1 58 58 ARG C C 13 173.981 0.10 . 1 . . . A 414 ARG C . 18592 1 639 . 1 1 58 58 ARG CA C 13 57.081 0.10 . 1 . . . A 414 ARG CA . 18592 1 640 . 1 1 58 58 ARG CB C 13 33.451 0.10 . 1 . . . A 414 ARG CB . 18592 1 641 . 1 1 58 58 ARG CG C 13 32.156 0.10 . 1 . . . A 414 ARG CG . 18592 1 642 . 1 1 58 58 ARG CD C 13 45.104 0.10 . 1 . . . A 414 ARG CD . 18592 1 643 . 1 1 58 58 ARG N N 15 122.464 0.10 . 1 . . . A 414 ARG N . 18592 1 644 . 1 1 59 59 SER H H 1 8.294 0.02 . 1 . . . A 415 SER H . 18592 1 645 . 1 1 59 59 SER HA H 1 5.067 0.02 . 1 . . . A 415 SER HA . 18592 1 646 . 1 1 59 59 SER HB2 H 1 4.217 0.02 . 2 . . . A 415 SER HB2 . 18592 1 647 . 1 1 59 59 SER HB3 H 1 4.217 0.02 . 2 . . . A 415 SER HB3 . 18592 1 648 . 1 1 59 59 SER C C 13 173.522 0.10 . 1 . . . A 415 SER C . 18592 1 649 . 1 1 59 59 SER CA C 13 58.052 0.10 . 1 . . . A 415 SER CA . 18592 1 650 . 1 1 59 59 SER CB C 13 66.445 0.10 . 1 . . . A 415 SER CB . 18592 1 651 . 1 1 59 59 SER N N 15 111.340 0.10 . 1 . . . A 415 SER N . 18592 1 652 . 1 1 60 60 ALA H H 1 8.870 0.02 . 1 . . . A 416 ALA H . 18592 1 653 . 1 1 60 60 ALA HA H 1 5.700 0.02 . 1 . . . A 416 ALA HA . 18592 1 654 . 1 1 60 60 ALA HB1 H 1 1.003 0.02 . . . . . A 416 ALA QB . 18592 1 655 . 1 1 60 60 ALA HB2 H 1 1.003 0.02 . . . . . A 416 ALA QB . 18592 1 656 . 1 1 60 60 ALA HB3 H 1 1.003 0.02 . . . . . A 416 ALA QB . 18592 1 657 . 1 1 60 60 ALA CA C 13 50.931 0.10 . 1 . . . A 416 ALA CA . 18592 1 658 . 1 1 60 60 ALA CB C 13 21.821 0.10 . 1 . . . A 416 ALA CB . 18592 1 659 . 1 1 60 60 ALA N N 15 118.978 0.10 . 1 . . . A 416 ALA N . 18592 1 660 . 1 1 61 61 ILE H H 1 9.049 0.02 . 1 . . . A 417 ILE H . 18592 1 661 . 1 1 61 61 ILE HA H 1 4.358 0.02 . 1 . . . A 417 ILE HA . 18592 1 662 . 1 1 61 61 ILE HB H 1 1.954 0.02 . 1 . . . A 417 ILE HB . 18592 1 663 . 1 1 61 61 ILE HG12 H 1 1.309 0.02 . 2 . . . A 417 ILE HG12 . 18592 1 664 . 1 1 61 61 ILE HG13 H 1 1.058 0.02 . 2 . . . A 417 ILE HG13 . 18592 1 665 . 1 1 61 61 ILE HG21 H 1 0.842 0.02 . . . . . A 417 ILE QG2 . 18592 1 666 . 1 1 61 61 ILE HG22 H 1 0.842 0.02 . . . . . A 417 ILE QG2 . 18592 1 667 . 1 1 61 61 ILE HG23 H 1 0.842 0.02 . . . . . A 417 ILE QG2 . 18592 1 668 . 1 1 61 61 ILE HD11 H 1 0.481 0.02 . . . . . A 417 ILE QD1 . 18592 1 669 . 1 1 61 61 ILE HD12 H 1 0.481 0.02 . . . . . A 417 ILE QD1 . 18592 1 670 . 1 1 61 61 ILE HD13 H 1 0.481 0.02 . . . . . A 417 ILE QD1 . 18592 1 671 . 1 1 61 61 ILE CA C 13 60.965 0.10 . 1 . . . A 417 ILE CA . 18592 1 672 . 1 1 61 61 ILE CB C 13 38.954 0.10 . 1 . . . A 417 ILE CB . 18592 1 673 . 1 1 61 61 ILE CG1 C 13 26.977 0.10 . 1 . . . A 417 ILE CG1 . 18592 1 674 . 1 1 61 61 ILE CG2 C 13 17.613 0.10 . 1 . . . A 417 ILE CG2 . 18592 1 675 . 1 1 61 61 ILE CD1 C 13 13.081 0.10 . 1 . . . A 417 ILE CD1 . 18592 1 676 . 1 1 61 61 ILE N N 15 124.239 0.10 . 1 . . . A 417 ILE N . 18592 1 677 . 1 1 62 62 VAL H H 1 9.668 0.02 . 1 . . . A 418 VAL H . 18592 1 678 . 1 1 62 62 VAL HA H 1 5.224 0.02 . 1 . . . A 418 VAL HA . 18592 1 679 . 1 1 62 62 VAL HB H 1 2.474 0.02 . 1 . . . A 418 VAL HB . 18592 1 680 . 1 1 62 62 VAL HG11 H 1 0.826 0.02 . . . . . A 418 VAL QG1 . 18592 1 681 . 1 1 62 62 VAL HG12 H 1 0.826 0.02 . . . . . A 418 VAL QG1 . 18592 1 682 . 1 1 62 62 VAL HG13 H 1 0.826 0.02 . . . . . A 418 VAL QG1 . 18592 1 683 . 1 1 62 62 VAL HG21 H 1 0.875 0.02 . . . . . A 418 VAL QG2 . 18592 1 684 . 1 1 62 62 VAL HG22 H 1 0.875 0.02 . . . . . A 418 VAL QG2 . 18592 1 685 . 1 1 62 62 VAL HG23 H 1 0.875 0.02 . . . . . A 418 VAL QG2 . 18592 1 686 . 1 1 62 62 VAL C C 13 175.050 0.10 . 1 . . . A 418 VAL C . 18592 1 687 . 1 1 62 62 VAL CA C 13 60.965 0.10 . 1 . . . A 418 VAL CA . 18592 1 688 . 1 1 62 62 VAL CB C 13 33.775 0.10 . 1 . . . A 418 VAL CB . 18592 1 689 . 1 1 62 62 VAL CG1 C 13 21.821 0.10 . 2 . . . A 418 VAL CG1 . 18592 1 690 . 1 1 62 62 VAL CG2 C 13 21.821 0.10 . 2 . . . A 418 VAL CG2 . 18592 1 691 . 1 1 62 62 VAL N N 15 131.330 0.10 . 1 . . . A 418 VAL N . 18592 1 692 . 1 1 63 63 THR H H 1 9.116 0.02 . 1 . . . A 419 THR H . 18592 1 693 . 1 1 63 63 THR HA H 1 4.999 0.02 . 1 . . . A 419 THR HA . 18592 1 694 . 1 1 63 63 THR HB H 1 4.079 0.02 . 1 . . . A 419 THR HB . 18592 1 695 . 1 1 63 63 THR HG21 H 1 1.180 0.02 . . . . . A 419 THR QG2 . 18592 1 696 . 1 1 63 63 THR HG22 H 1 1.180 0.02 . . . . . A 419 THR QG2 . 18592 1 697 . 1 1 63 63 THR HG23 H 1 1.180 0.02 . . . . . A 419 THR QG2 . 18592 1 698 . 1 1 63 63 THR C C 13 173.889 0.10 . 1 . . . A 419 THR C . 18592 1 699 . 1 1 63 63 THR CA C 13 62.260 0.10 . 1 . . . A 419 THR CA . 18592 1 700 . 1 1 63 63 THR CB C 13 70.005 0.10 . 1 . . . A 419 THR CB . 18592 1 701 . 1 1 63 63 THR CG2 C 13 18.908 0.10 . 1 . . . A 419 THR CG2 . 18592 1 702 . 1 1 63 63 THR N N 15 124.297 0.10 . 1 . . . A 419 THR N . 18592 1 703 . 1 1 64 64 VAL H H 1 8.700 0.02 . 1 . . . A 420 VAL H . 18592 1 704 . 1 1 64 64 VAL HA H 1 4.608 0.02 . 1 . . . A 420 VAL HA . 18592 1 705 . 1 1 64 64 VAL HB H 1 2.061 0.02 . 1 . . . A 420 VAL HB . 18592 1 706 . 1 1 64 64 VAL HG11 H 1 0.904 0.02 . . . . . A 420 VAL QG1 . 18592 1 707 . 1 1 64 64 VAL HG12 H 1 0.904 0.02 . . . . . A 420 VAL QG1 . 18592 1 708 . 1 1 64 64 VAL HG13 H 1 0.904 0.02 . . . . . A 420 VAL QG1 . 18592 1 709 . 1 1 64 64 VAL HG21 H 1 0.828 0.02 . . . . . A 420 VAL QG2 . 18592 1 710 . 1 1 64 64 VAL HG22 H 1 0.828 0.02 . . . . . A 420 VAL QG2 . 18592 1 711 . 1 1 64 64 VAL HG23 H 1 0.828 0.02 . . . . . A 420 VAL QG2 . 18592 1 712 . 1 1 64 64 VAL C C 13 174.836 0.10 . 1 . . . A 420 VAL C . 18592 1 713 . 1 1 64 64 VAL CA C 13 61.289 0.10 . 1 . . . A 420 VAL CA . 18592 1 714 . 1 1 64 64 VAL CB C 13 33.127 0.10 . 1 . . . A 420 VAL CB . 18592 1 715 . 1 1 64 64 VAL CG1 C 13 22.145 0.10 . 2 . . . A 420 VAL CG1 . 18592 1 716 . 1 1 64 64 VAL CG2 C 13 23.740 0.10 . 2 . . . A 420 VAL CG2 . 18592 1 717 . 1 1 64 64 VAL N N 15 126.353 0.10 . 1 . . . A 420 VAL N . 18592 1 718 . 1 1 65 65 GLU H H 1 8.647 0.02 . 1 . . . A 421 GLU H . 18592 1 719 . 1 1 65 65 GLU HA H 1 4.787 0.02 . 1 . . . A 421 GLU HA . 18592 1 720 . 1 1 65 65 GLU HB2 H 1 2.131 0.02 . 2 . . . A 421 GLU HB2 . 18592 1 721 . 1 1 65 65 GLU HB3 H 1 1.955 0.02 . 2 . . . A 421 GLU HB3 . 18592 1 722 . 1 1 65 65 GLU HG2 H 1 2.301 0.02 . 2 . . . A 421 GLU HG2 . 18592 1 723 . 1 1 65 65 GLU HG3 H 1 2.224 0.02 . 2 . . . A 421 GLU HG3 . 18592 1 724 . 1 1 65 65 GLU C C 13 175.157 0.10 . 1 . . . A 421 GLU C . 18592 1 725 . 1 1 65 65 GLU CA C 13 54.168 0.10 . 1 . . . A 421 GLU CA . 18592 1 726 . 1 1 65 65 GLU CB C 13 33.451 0.10 . 1 . . . A 421 GLU CB . 18592 1 727 . 1 1 65 65 GLU CG C 13 37.012 0.10 . 1 . . . A 421 GLU CG . 18592 1 728 . 1 1 65 65 GLU N N 15 125.325 0.10 . 1 . . . A 421 GLU N . 18592 1 729 . 1 1 66 66 CYS H H 1 8.836 0.02 . . . . . A 422 CYS H . 18592 1 730 . 1 1 66 66 CYS HA H 1 4.508 0.02 . . . . . A 422 CYS HA . 18592 1 731 . 1 1 66 66 CYS HB2 H 1 2.746 0.02 . . . . . A 422 CYS HB2 . 18592 1 732 . 1 1 66 66 CYS HB3 H 1 3.170 0.02 . . . . . A 422 CYS HB3 . 18592 1 733 . 1 1 66 66 CYS C C 13 174.637 0.10 . . . . . A 422 CYS C . 18592 1 734 . 1 1 66 66 CYS CA C 13 57.084 0.10 . . . . . A 422 CYS CA . 18592 1 735 . 1 1 66 66 CYS CB C 13 39.228 0.10 . . . . . A 422 CYS CB . 18592 1 736 . 1 1 66 66 CYS N N 15 119.671 0.10 . . . . . A 422 CYS N . 18592 1 737 . 1 1 67 67 GLY H H 1 7.189 0.02 . 1 . . . A 423 GLY H . 18592 1 738 . 1 1 67 67 GLY HA2 H 1 4.480 0.02 . 2 . . . A 423 GLY HA2 . 18592 1 739 . 1 1 67 67 GLY HA3 H 1 3.790 0.02 . 2 . . . A 423 GLY HA3 . 18592 1 740 . 1 1 67 67 GLY C C 13 171.797 0.10 . 1 . . . A 423 GLY C . 18592 1 741 . 1 1 67 67 GLY CA C 13 45.074 0.10 . 1 . . . A 423 GLY CA . 18592 1 742 . 1 1 67 67 GLY N N 15 114.787 0.10 . 1 . . . A 423 GLY N . 18592 1 743 . 1 1 68 68 VAL H H 1 8.357 0.02 . 1 . . . A 424 VAL H . 18592 1 744 . 1 1 68 68 VAL HA H 1 4.009 0.02 . 1 . . . A 424 VAL HA . 18592 1 745 . 1 1 68 68 VAL HB H 1 2.164 0.02 . 1 . . . A 424 VAL HB . 18592 1 746 . 1 1 68 68 VAL HG11 H 1 1.014 0.02 . . . . . A 424 VAL QG1 . 18592 1 747 . 1 1 68 68 VAL HG12 H 1 1.014 0.02 . . . . . A 424 VAL QG1 . 18592 1 748 . 1 1 68 68 VAL HG13 H 1 1.014 0.02 . . . . . A 424 VAL QG1 . 18592 1 749 . 1 1 68 68 VAL HG21 H 1 1.014 0.02 . . . . . A 424 VAL QG2 . 18592 1 750 . 1 1 68 68 VAL HG22 H 1 1.014 0.02 . . . . . A 424 VAL QG2 . 18592 1 751 . 1 1 68 68 VAL HG23 H 1 1.014 0.02 . . . . . A 424 VAL QG2 . 18592 1 752 . 1 1 68 68 VAL C C 13 175.829 0.10 . 1 . . . A 424 VAL C . 18592 1 753 . 1 1 68 68 VAL CA C 13 64.257 0.10 . 1 . . . A 424 VAL CA . 18592 1 754 . 1 1 68 68 VAL CB C 13 32.480 0.10 . 1 . . . A 424 VAL CB . 18592 1 755 . 1 1 68 68 VAL CG1 C 13 21.174 0.10 . 2 . . . A 424 VAL CG1 . 18592 1 756 . 1 1 68 68 VAL N N 15 115.301 0.10 . 1 . . . A 424 VAL N . 18592 1 757 . 1 1 69 69 GLU H H 1 7.551 0.02 . 1 . . . A 425 GLU H . 18592 1 758 . 1 1 69 69 GLU HA H 1 4.572 0.02 . 1 . . . A 425 GLU HA . 18592 1 759 . 1 1 69 69 GLU HB2 H 1 1.996 0.02 . 2 . . . A 425 GLU HB2 . 18592 1 760 . 1 1 69 69 GLU HB3 H 1 1.895 0.02 . 2 . . . A 425 GLU HB3 . 18592 1 761 . 1 1 69 69 GLU HG2 H 1 2.215 0.02 . 2 . . . A 425 GLU HG2 . 18592 1 762 . 1 1 69 69 GLU HG3 H 1 2.175 0.02 . 2 . . . A 425 GLU HG3 . 18592 1 763 . 1 1 69 69 GLU C C 13 175.264 0.10 . 1 . . . A 425 GLU C . 18592 1 764 . 1 1 69 69 GLU CA C 13 54.168 0.10 . 1 . . . A 425 GLU CA . 18592 1 765 . 1 1 69 69 GLU CB C 13 33.775 0.10 . 1 . . . A 425 GLU CB . 18592 1 766 . 1 1 69 69 GLU CG C 13 36.040 0.10 . 1 . . . A 425 GLU CG . 18592 1 767 . 1 1 69 69 GLU N N 15 116.329 0.10 . 1 . . . A 425 GLU N . 18592 1 768 . 1 1 70 70 ASN H H 1 8.869 0.02 . 1 . . . A 426 ASN H . 18592 1 769 . 1 1 70 70 ASN HA H 1 5.661 0.02 . 1 . . . A 426 ASN HA . 18592 1 770 . 1 1 70 70 ASN HB2 H 1 2.892 0.02 . 2 . . . A 426 ASN HB2 . 18592 1 771 . 1 1 70 70 ASN HB3 H 1 2.833 0.02 . 2 . . . A 426 ASN HB3 . 18592 1 772 . 1 1 70 70 ASN HD21 H 1 7.785 0.02 . 2 . . . A 426 ASN HD21 . 18592 1 773 . 1 1 70 70 ASN HD22 H 1 6.686 0.02 . 2 . . . A 426 ASN HD22 . 18592 1 774 . 1 1 70 70 ASN C C 13 176.165 0.10 . 1 . . . A 426 ASN C . 18592 1 775 . 1 1 70 70 ASN CA C 13 53.593 0.10 . 1 . . . A 426 ASN CA . 18592 1 776 . 1 1 70 70 ASN CB C 13 38.542 0.10 . 1 . . . A 426 ASN CB . 18592 1 777 . 1 1 70 70 ASN N N 15 121.727 0.10 . 1 . . . A 426 ASN N . 18592 1 778 . 1 1 70 70 ASN ND2 N 15 112.307 0.10 . 1 . . . A 426 ASN ND2 . 18592 1 779 . 1 1 71 71 GLU H H 1 8.873 0.02 . 1 . . . A 427 GLU H . 18592 1 780 . 1 1 71 71 GLU HA H 1 4.748 0.02 . 1 . . . A 427 GLU HA . 18592 1 781 . 1 1 71 71 GLU HB2 H 1 1.882 0.02 . 2 . . . A 427 GLU HB2 . 18592 1 782 . 1 1 71 71 GLU HB3 H 1 1.882 0.02 . 2 . . . A 427 GLU HB3 . 18592 1 783 . 1 1 71 71 GLU HG2 H 1 2.112 0.02 . 2 . . . A 427 GLU HG2 . 18592 1 784 . 1 1 71 71 GLU HG3 H 1 1.950 0.02 . 2 . . . A 427 GLU HG3 . 18592 1 785 . 1 1 71 71 GLU C C 13 175.706 0.10 . 1 . . . A 427 GLU C . 18592 1 786 . 1 1 71 71 GLU CA C 13 55.642 0.10 . 1 . . . A 427 GLU CA . 18592 1 787 . 1 1 71 71 GLU CB C 13 34.673 0.10 . 1 . . . A 427 GLU CB . 18592 1 788 . 1 1 71 71 GLU CG C 13 36.168 0.10 . 1 . . . A 427 GLU CG . 18592 1 789 . 1 1 71 71 GLU N N 15 123.526 0.10 . 1 . . . A 427 GLU N . 18592 1 790 . 1 1 72 72 ILE H H 1 9.057 0.02 . 1 . . . A 428 ILE H . 18592 1 791 . 1 1 72 72 ILE HA H 1 4.165 0.02 . 1 . . . A 428 ILE HA . 18592 1 792 . 1 1 72 72 ILE HB H 1 1.662 0.02 . 1 . . . A 428 ILE HB . 18592 1 793 . 1 1 72 72 ILE HG12 H 1 1.616 0.02 . 2 . . . A 428 ILE HG12 . 18592 1 794 . 1 1 72 72 ILE HG13 H 1 0.754 0.02 . 2 . . . A 428 ILE HG13 . 18592 1 795 . 1 1 72 72 ILE HG21 H 1 0.638 0.02 . . . . . A 428 ILE QG2 . 18592 1 796 . 1 1 72 72 ILE HG22 H 1 0.638 0.02 . . . . . A 428 ILE QG2 . 18592 1 797 . 1 1 72 72 ILE HG23 H 1 0.638 0.02 . . . . . A 428 ILE QG2 . 18592 1 798 . 1 1 72 72 ILE HD11 H 1 0.754 0.02 . . . . . A 428 ILE QD1 . 18592 1 799 . 1 1 72 72 ILE HD12 H 1 0.754 0.02 . . . . . A 428 ILE QD1 . 18592 1 800 . 1 1 72 72 ILE HD13 H 1 0.754 0.02 . . . . . A 428 ILE QD1 . 18592 1 801 . 1 1 72 72 ILE C C 13 174.698 0.10 . 1 . . . A 428 ILE C . 18592 1 802 . 1 1 72 72 ILE CA C 13 62.584 0.10 . 1 . . . A 428 ILE CA . 18592 1 803 . 1 1 72 72 ILE CB C 13 38.650 0.10 . 1 . . . A 428 ILE CB . 18592 1 804 . 1 1 72 72 ILE CG1 C 13 28.595 0.10 . 1 . . . A 428 ILE CG1 . 18592 1 805 . 1 1 72 72 ILE CG2 C 13 17.937 0.10 . 1 . . . A 428 ILE CG2 . 18592 1 806 . 1 1 72 72 ILE CD1 C 13 14.053 0.10 . 1 . . . A 428 ILE CD1 . 18592 1 807 . 1 1 72 72 ILE N N 15 126.096 0.10 . 1 . . . A 428 ILE N . 18592 1 808 . 1 1 73 73 VAL H H 1 9.251 0.02 . 1 . . . A 429 VAL H . 18592 1 809 . 1 1 73 73 VAL HA H 1 3.943 0.02 . 1 . . . A 429 VAL HA . 18592 1 810 . 1 1 73 73 VAL HB H 1 1.821 0.02 . 1 . . . A 429 VAL HB . 18592 1 811 . 1 1 73 73 VAL HG11 H 1 0.925 0.02 . . . . . A 429 VAL QG1 . 18592 1 812 . 1 1 73 73 VAL HG12 H 1 0.925 0.02 . . . . . A 429 VAL QG1 . 18592 1 813 . 1 1 73 73 VAL HG13 H 1 0.925 0.02 . . . . . A 429 VAL QG1 . 18592 1 814 . 1 1 73 73 VAL HG21 H 1 0.883 0.02 . . . . . A 429 VAL QG2 . 18592 1 815 . 1 1 73 73 VAL HG22 H 1 0.883 0.02 . . . . . A 429 VAL QG2 . 18592 1 816 . 1 1 73 73 VAL HG23 H 1 0.883 0.02 . . . . . A 429 VAL QG2 . 18592 1 817 . 1 1 73 73 VAL C C 13 176.134 0.10 . 1 . . . A 429 VAL C . 18592 1 818 . 1 1 73 73 VAL CA C 13 64.484 0.10 . 1 . . . A 429 VAL CA . 18592 1 819 . 1 1 73 73 VAL CB C 13 33.160 0.10 . 1 . . . A 429 VAL CB . 18592 1 820 . 1 1 73 73 VAL CG1 C 13 21.208 0.10 . 2 . . . A 429 VAL CG1 . 18592 1 821 . 1 1 73 73 VAL CG2 C 13 21.174 0.10 . 2 . . . A 429 VAL CG2 . 18592 1 822 . 1 1 73 73 VAL N N 15 128.410 0.10 . 1 . . . A 429 VAL N . 18592 1 823 . 1 1 74 74 SER H H 1 7.595 0.02 . 1 . . . A 430 SER H . 18592 1 824 . 1 1 74 74 SER HA H 1 4.593 0.02 . 1 . . . A 430 SER HA . 18592 1 825 . 1 1 74 74 SER HB2 H 1 3.824 0.02 . 2 . . . A 430 SER HB2 . 18592 1 826 . 1 1 74 74 SER HB3 H 1 3.824 0.02 . 2 . . . A 430 SER HB3 . 18592 1 827 . 1 1 74 74 SER C C 13 172.194 0.10 . 1 . . . A 430 SER C . 18592 1 828 . 1 1 74 74 SER CA C 13 57.728 0.10 . 1 . . . A 430 SER CA . 18592 1 829 . 1 1 74 74 SER CB C 13 65.150 0.10 . 1 . . . A 430 SER CB . 18592 1 830 . 1 1 74 74 SER N N 15 110.046 0.10 . 1 . . . A 430 SER N . 18592 1 831 . 1 1 75 75 VAL H H 1 8.290 0.02 . 1 . . . A 431 VAL H . 18592 1 832 . 1 1 75 75 VAL HA H 1 4.584 0.02 . 1 . . . A 431 VAL HA . 18592 1 833 . 1 1 75 75 VAL HB H 1 1.397 0.02 . 1 . . . A 431 VAL HB . 18592 1 834 . 1 1 75 75 VAL HG11 H 1 0.409 0.02 . . . . . A 431 VAL QG1 . 18592 1 835 . 1 1 75 75 VAL HG12 H 1 0.409 0.02 . . . . . A 431 VAL QG1 . 18592 1 836 . 1 1 75 75 VAL HG13 H 1 0.409 0.02 . . . . . A 431 VAL QG1 . 18592 1 837 . 1 1 75 75 VAL HG21 H 1 0.142 0.02 . . . . . A 431 VAL QG2 . 18592 1 838 . 1 1 75 75 VAL HG22 H 1 0.142 0.02 . . . . . A 431 VAL QG2 . 18592 1 839 . 1 1 75 75 VAL HG23 H 1 0.142 0.02 . . . . . A 431 VAL QG2 . 18592 1 840 . 1 1 75 75 VAL C C 13 174.065 0.10 . 1 . . . A 431 VAL C . 18592 1 841 . 1 1 75 75 VAL CA C 13 62.260 0.10 . 1 . . . A 431 VAL CA . 18592 1 842 . 1 1 75 75 VAL CB C 13 35.425 0.10 . 1 . . . A 431 VAL CB . 18592 1 843 . 1 1 75 75 VAL CG1 C 13 20.618 0.10 . 2 . . . A 431 VAL CG1 . 18592 1 844 . 1 1 75 75 VAL CG2 C 13 20.527 0.10 . 2 . . . A 431 VAL CG2 . 18592 1 845 . 1 1 75 75 VAL N N 15 120.142 0.10 . 1 . . . A 431 VAL N . 18592 1 846 . 1 1 76 76 LEU H H 1 8.925 0.02 . 1 . . . A 432 LEU H . 18592 1 847 . 1 1 76 76 LEU HA H 1 4.729 0.02 . 1 . . . A 432 LEU HA . 18592 1 848 . 1 1 76 76 LEU HB2 H 1 1.578 0.02 . 2 . . . A 432 LEU HB2 . 18592 1 849 . 1 1 76 76 LEU HB3 H 1 1.735 0.02 . 2 . . . A 432 LEU HB3 . 18592 1 850 . 1 1 76 76 LEU HG H 1 1.464 0.02 . 1 . . . A 432 LEU HG . 18592 1 851 . 1 1 76 76 LEU HD11 H 1 0.931 0.02 . . . . . A 432 LEU QD1 . 18592 1 852 . 1 1 76 76 LEU HD12 H 1 0.931 0.02 . . . . . A 432 LEU QD1 . 18592 1 853 . 1 1 76 76 LEU HD13 H 1 0.931 0.02 . . . . . A 432 LEU QD1 . 18592 1 854 . 1 1 76 76 LEU HD21 H 1 0.931 0.02 . . . . . A 432 LEU QD2 . 18592 1 855 . 1 1 76 76 LEU HD22 H 1 0.931 0.02 . . . . . A 432 LEU QD2 . 18592 1 856 . 1 1 76 76 LEU HD23 H 1 0.931 0.02 . . . . . A 432 LEU QD2 . 18592 1 857 . 1 1 76 76 LEU C C 13 174.943 0.10 . 1 . . . A 432 LEU C . 18592 1 858 . 1 1 76 76 LEU CA C 13 53.973 0.10 . 1 . . . A 432 LEU CA . 18592 1 859 . 1 1 76 76 LEU CB C 13 46.447 0.10 . 1 . . . A 432 LEU CB . 18592 1 860 . 1 1 76 76 LEU CG C 13 27.704 0.10 . 1 . . . A 432 LEU CG . 18592 1 861 . 1 1 76 76 LEU CD1 C 13 25.358 0.10 . 2 . . . A 432 LEU CD1 . 18592 1 862 . 1 1 76 76 LEU N N 15 129.068 0.10 . 1 . . . A 432 LEU N . 18592 1 863 . 1 1 77 77 GLU H H 1 8.772 0.02 . 1 . . . A 433 GLU H . 18592 1 864 . 1 1 77 77 GLU HA H 1 4.361 0.02 . 1 . . . A 433 GLU HA . 18592 1 865 . 1 1 77 77 GLU HB2 H 1 2.015 0.02 . 2 . . . A 433 GLU HB2 . 18592 1 866 . 1 1 77 77 GLU HB3 H 1 1.520 0.02 . 2 . . . A 433 GLU HB3 . 18592 1 867 . 1 1 77 77 GLU HG2 H 1 1.910 0.02 . 2 . . . A 433 GLU HG2 . 18592 1 868 . 1 1 77 77 GLU HG3 H 1 1.470 0.02 . 2 . . . A 433 GLU HG3 . 18592 1 869 . 1 1 77 77 GLU C C 13 175.172 0.10 . 1 . . . A 433 GLU C . 18592 1 870 . 1 1 77 77 GLU CA C 13 55.187 0.10 . 1 . . . A 433 GLU CA . 18592 1 871 . 1 1 77 77 GLU CB C 13 29.729 0.10 . 1 . . . A 433 GLU CB . 18592 1 872 . 1 1 77 77 GLU CG C 13 36.364 0.10 . 1 . . . A 433 GLU CG . 18592 1 873 . 1 1 77 77 GLU N N 15 128.088 0.10 . 1 . . . A 433 GLU N . 18592 1 874 . 1 1 78 78 ALA H H 1 8.207 0.02 . 1 . . . A 434 ALA H . 18592 1 875 . 1 1 78 78 ALA HA H 1 4.288 0.02 . 1 . . . A 434 ALA HA . 18592 1 876 . 1 1 78 78 ALA HB1 H 1 1.401 0.02 . . . . . A 434 ALA QB . 18592 1 877 . 1 1 78 78 ALA HB2 H 1 1.401 0.02 . . . . . A 434 ALA QB . 18592 1 878 . 1 1 78 78 ALA HB3 H 1 1.401 0.02 . . . . . A 434 ALA QB . 18592 1 879 . 1 1 78 78 ALA C C 13 177.646 0.10 . 1 . . . A 434 ALA C . 18592 1 880 . 1 1 78 78 ALA CA C 13 53.214 0.10 . 1 . . . A 434 ALA CA . 18592 1 881 . 1 1 78 78 ALA CB C 13 19.383 0.10 . 1 . . . A 434 ALA CB . 18592 1 882 . 1 1 78 78 ALA N N 15 131.748 0.10 . 1 . . . A 434 ALA N . 18592 1 883 . 1 1 79 79 GLN H H 1 8.272 0.02 . 1 . . . A 435 GLN H . 18592 1 884 . 1 1 79 79 GLN HA H 1 4.313 0.02 . 1 . . . A 435 GLN HA . 18592 1 885 . 1 1 79 79 GLN HB2 H 1 1.918 0.02 . 2 . . . A 435 GLN HB2 . 18592 1 886 . 1 1 79 79 GLN HB3 H 1 2.114 0.02 . 2 . . . A 435 GLN HB3 . 18592 1 887 . 1 1 79 79 GLN HG2 H 1 2.336 0.02 . 2 . . . A 435 GLN HG2 . 18592 1 888 . 1 1 79 79 GLN HG3 H 1 2.323 0.02 . 2 . . . A 435 GLN HG3 . 18592 1 889 . 1 1 79 79 GLN HE21 H 1 7.692 0.02 . 2 . . . A 435 GLN HE21 . 18592 1 890 . 1 1 79 79 GLN HE22 H 1 6.776 0.02 . 2 . . . A 435 GLN HE22 . 18592 1 891 . 1 1 79 79 GLN C C 13 175.019 0.10 . 1 . . . A 435 GLN C . 18592 1 892 . 1 1 79 79 GLN CA C 13 55.463 0.10 . 1 . . . A 435 GLN CA . 18592 1 893 . 1 1 79 79 GLN CB C 13 30.537 0.10 . 1 . . . A 435 GLN CB . 18592 1 894 . 1 1 79 79 GLN CG C 13 34.746 0.10 . 1 . . . A 435 GLN CG . 18592 1 895 . 1 1 79 79 GLN N N 15 116.843 0.10 . 1 . . . A 435 GLN N . 18592 1 896 . 1 1 79 79 GLN NE2 N 15 112.727 0.10 . 1 . . . A 435 GLN NE2 . 18592 1 897 . 1 1 80 80 LYS H H 1 8.423 0.02 . 1 . . . A 436 LYS H . 18592 1 898 . 1 1 80 80 LYS HA H 1 3.819 0.02 . 1 . . . A 436 LYS HA . 18592 1 899 . 1 1 80 80 LYS HB2 H 1 1.773 0.02 . 2 . . . A 436 LYS HB2 . 18592 1 900 . 1 1 80 80 LYS HB3 H 1 1.773 0.02 . 2 . . . A 436 LYS HB3 . 18592 1 901 . 1 1 80 80 LYS HG2 H 1 1.448 0.02 . 2 . . . A 436 LYS HG2 . 18592 1 902 . 1 1 80 80 LYS HG3 H 1 1.448 0.02 . 2 . . . A 436 LYS HG3 . 18592 1 903 . 1 1 80 80 LYS HD2 H 1 1.714 0.02 . 2 . . . A 436 LYS HD2 . 18592 1 904 . 1 1 80 80 LYS HD3 H 1 1.714 0.02 . 2 . . . A 436 LYS HD3 . 18592 1 905 . 1 1 80 80 LYS HE2 H 1 3.011 0.02 . 2 . . . A 436 LYS HE2 . 18592 1 906 . 1 1 80 80 LYS HE3 H 1 3.011 0.02 . 2 . . . A 436 LYS HE3 . 18592 1 907 . 1 1 80 80 LYS C C 13 176.882 0.10 . 1 . . . A 436 LYS C . 18592 1 908 . 1 1 80 80 LYS CA C 13 57.820 0.10 . 1 . . . A 436 LYS CA . 18592 1 909 . 1 1 80 80 LYS CB C 13 31.185 0.10 . 1 . . . A 436 LYS CB . 18592 1 910 . 1 1 80 80 LYS CG C 13 25.358 0.10 . 1 . . . A 436 LYS CG . 18592 1 911 . 1 1 80 80 LYS CD C 13 29.566 0.10 . 1 . . . A 436 LYS CD . 18592 1 912 . 1 1 80 80 LYS CE C 13 42.514 0.10 . 1 . . . A 436 LYS CE . 18592 1 913 . 1 1 80 80 LYS N N 15 119.107 0.10 . 1 . . . A 436 LYS N . 18592 1 914 . 1 1 81 81 CYS H H 1 9.692 0.02 . . . . . A 437 CYS H . 18592 1 915 . 1 1 81 81 CYS HA H 1 3.983 0.02 . . . . . A 437 CYS HA . 18592 1 916 . 1 1 81 81 CYS HB2 H 1 3.777 0.02 . . . . . A 437 CYS HB2 . 18592 1 917 . 1 1 81 81 CYS HB3 H 1 3.410 0.02 . . . . . A 437 CYS HB3 . 18592 1 918 . 1 1 81 81 CYS C C 13 171.491 0.10 . . . . . A 437 CYS C . 18592 1 919 . 1 1 81 81 CYS CA C 13 58.109 0.10 . . . . . A 437 CYS CA . 18592 1 920 . 1 1 81 81 CYS CB C 13 42.516 0.10 . . . . . A 437 CYS CB . 18592 1 921 . 1 1 81 81 CYS N N 15 115.247 0.10 . . . . . A 437 CYS N . 18592 1 922 . 1 1 82 82 GLU H H 1 7.693 0.02 . 1 . . . A 438 GLU H . 18592 1 923 . 1 1 82 82 GLU HA H 1 4.861 0.02 . 1 . . . A 438 GLU HA . 18592 1 924 . 1 1 82 82 GLU HB2 H 1 1.763 0.02 . 2 . . . A 438 GLU HB2 . 18592 1 925 . 1 1 82 82 GLU HB3 H 1 1.853 0.02 . 2 . . . A 438 GLU HB3 . 18592 1 926 . 1 1 82 82 GLU HG2 H 1 2.059 0.02 . 2 . . . A 438 GLU HG2 . 18592 1 927 . 1 1 82 82 GLU HG3 H 1 1.690 0.02 . 2 . . . A 438 GLU HG3 . 18592 1 928 . 1 1 82 82 GLU C C 13 174.943 0.10 . 1 . . . A 438 GLU C . 18592 1 929 . 1 1 82 82 GLU CA C 13 55.463 0.10 . 1 . . . A 438 GLU CA . 18592 1 930 . 1 1 82 82 GLU CB C 13 32.156 0.10 . 1 . . . A 438 GLU CB . 18592 1 931 . 1 1 82 82 GLU CG C 13 37.335 0.10 . 1 . . . A 438 GLU CG . 18592 1 932 . 1 1 82 82 GLU N N 15 119.545 0.10 . 1 . . . A 438 GLU N . 18592 1 933 . 1 1 83 83 TYR H H 1 8.574 0.02 . 1 . . . A 439 TYR H . 18592 1 934 . 1 1 83 83 TYR HA H 1 4.941 0.02 . 1 . . . A 439 TYR HA . 18592 1 935 . 1 1 83 83 TYR HB2 H 1 2.919 0.02 . 2 . . . A 439 TYR HB2 . 18592 1 936 . 1 1 83 83 TYR HB3 H 1 2.414 0.02 . 2 . . . A 439 TYR HB3 . 18592 1 937 . 1 1 83 83 TYR HD1 H 1 7.132 0.02 . 3 . . . A 439 TYR HD1 . 18592 1 938 . 1 1 83 83 TYR HD2 H 1 7.132 0.02 . 3 . . . A 439 TYR HD2 . 18592 1 939 . 1 1 83 83 TYR HE1 H 1 6.646 0.02 . 3 . . . A 439 TYR HE1 . 18592 1 940 . 1 1 83 83 TYR HE2 H 1 6.646 0.02 . 3 . . . A 439 TYR HE2 . 18592 1 941 . 1 1 83 83 TYR C C 13 174.805 0.10 . 1 . . . A 439 TYR C . 18592 1 942 . 1 1 83 83 TYR CA C 13 57.917 0.10 . 1 . . . A 439 TYR CA . 18592 1 943 . 1 1 83 83 TYR CB C 13 40.249 0.10 . 1 . . . A 439 TYR CB . 18592 1 944 . 1 1 83 83 TYR CD1 C 13 133.603 0.10 . 3 . . . A 439 TYR CD1 . 18592 1 945 . 1 1 83 83 TYR CE1 C 13 118.325 0.10 . 3 . . . A 439 TYR CE1 . 18592 1 946 . 1 1 83 83 TYR N N 15 124.040 0.10 . 1 . . . A 439 TYR N . 18592 1 947 . 1 1 84 84 LEU H H 1 9.426 0.02 . 1 . . . A 440 LEU H . 18592 1 948 . 1 1 84 84 LEU HA H 1 5.116 0.02 . 1 . . . A 440 LEU HA . 18592 1 949 . 1 1 84 84 LEU HB2 H 1 1.556 0.02 . 2 . . . A 440 LEU HB2 . 18592 1 950 . 1 1 84 84 LEU HB3 H 1 1.886 0.02 . 2 . . . A 440 LEU HB3 . 18592 1 951 . 1 1 84 84 LEU HG H 1 1.700 0.02 . 1 . . . A 440 LEU HG . 18592 1 952 . 1 1 84 84 LEU HD11 H 1 0.907 0.02 . . . . . A 440 LEU QD1 . 18592 1 953 . 1 1 84 84 LEU HD12 H 1 0.907 0.02 . . . . . A 440 LEU QD1 . 18592 1 954 . 1 1 84 84 LEU HD13 H 1 0.907 0.02 . . . . . A 440 LEU QD1 . 18592 1 955 . 1 1 84 84 LEU HD21 H 1 0.907 0.02 . . . . . A 440 LEU QD2 . 18592 1 956 . 1 1 84 84 LEU HD22 H 1 0.907 0.02 . . . . . A 440 LEU QD2 . 18592 1 957 . 1 1 84 84 LEU HD23 H 1 0.907 0.02 . . . . . A 440 LEU QD2 . 18592 1 958 . 1 1 84 84 LEU C C 13 176.623 0.10 . 1 . . . A 440 LEU C . 18592 1 959 . 1 1 84 84 LEU CA C 13 54.163 0.10 . 1 . . . A 440 LEU CA . 18592 1 960 . 1 1 84 84 LEU CB C 13 42.514 0.10 . 1 . . . A 440 LEU CB . 18592 1 961 . 1 1 84 84 LEU CG C 13 27.624 0.10 . 1 . . . A 440 LEU CG . 18592 1 962 . 1 1 84 84 LEU CD1 C 13 25.243 0.10 . 2 . . . A 440 LEU CD1 . 18592 1 963 . 1 1 84 84 LEU N N 15 125.068 0.10 . 1 . . . A 440 LEU N . 18592 1 964 . 1 1 85 85 ILE H H 1 9.243 0.02 . 1 . . . A 441 ILE H . 18592 1 965 . 1 1 85 85 ILE HA H 1 4.883 0.02 . 1 . . . A 441 ILE HA . 18592 1 966 . 1 1 85 85 ILE HB H 1 1.833 0.02 . 1 . . . A 441 ILE HB . 18592 1 967 . 1 1 85 85 ILE HG12 H 1 0.941 0.02 . 2 . . . A 441 ILE HG12 . 18592 1 968 . 1 1 85 85 ILE HG13 H 1 1.518 0.02 . 2 . . . A 441 ILE HG13 . 18592 1 969 . 1 1 85 85 ILE HG21 H 1 0.773 0.02 . . . . . A 441 ILE QG2 . 18592 1 970 . 1 1 85 85 ILE HG22 H 1 0.773 0.02 . . . . . A 441 ILE QG2 . 18592 1 971 . 1 1 85 85 ILE HG23 H 1 0.773 0.02 . . . . . A 441 ILE QG2 . 18592 1 972 . 1 1 85 85 ILE HD11 H 1 0.530 0.02 . . . . . A 441 ILE QD1 . 18592 1 973 . 1 1 85 85 ILE HD12 H 1 0.530 0.02 . . . . . A 441 ILE QD1 . 18592 1 974 . 1 1 85 85 ILE HD13 H 1 0.530 0.02 . . . . . A 441 ILE QD1 . 18592 1 975 . 1 1 85 85 ILE C C 13 173.828 0.10 . 1 . . . A 441 ILE C . 18592 1 976 . 1 1 85 85 ILE CA C 13 60.537 0.10 . 1 . . . A 441 ILE CA . 18592 1 977 . 1 1 85 85 ILE CB C 13 40.799 0.10 . 1 . . . A 441 ILE CB . 18592 1 978 . 1 1 85 85 ILE CG1 C 13 27.624 0.10 . 1 . . . A 441 ILE CG1 . 18592 1 979 . 1 1 85 85 ILE CG2 C 13 16.642 0.10 . 1 . . . A 441 ILE CG2 . 18592 1 980 . 1 1 85 85 ILE CD1 C 13 14.053 0.10 . 1 . . . A 441 ILE CD1 . 18592 1 981 . 1 1 85 85 ILE N N 15 128.153 0.10 . 1 . . . A 441 ILE N . 18592 1 982 . 1 1 86 86 LYS H H 1 8.495 0.02 . 1 . . . A 442 LYS H . 18592 1 983 . 1 1 86 86 LYS HA H 1 5.131 0.02 . 1 . . . A 442 LYS HA . 18592 1 984 . 1 1 86 86 LYS HB2 H 1 1.770 0.02 . 2 . . . A 442 LYS HB2 . 18592 1 985 . 1 1 86 86 LYS HB3 H 1 1.896 0.02 . 2 . . . A 442 LYS HB3 . 18592 1 986 . 1 1 86 86 LYS HG2 H 1 1.432 0.02 . 2 . . . A 442 LYS HG2 . 18592 1 987 . 1 1 86 86 LYS HG3 H 1 1.285 0.02 . 2 . . . A 442 LYS HG3 . 18592 1 988 . 1 1 86 86 LYS HD2 H 1 1.650 0.02 . 2 . . . A 442 LYS HD2 . 18592 1 989 . 1 1 86 86 LYS HD3 H 1 1.650 0.02 . 2 . . . A 442 LYS HD3 . 18592 1 990 . 1 1 86 86 LYS HE2 H 1 2.911 0.02 . 2 . . . A 442 LYS HE2 . 18592 1 991 . 1 1 86 86 LYS HE3 H 1 2.911 0.02 . 2 . . . A 442 LYS HE3 . 18592 1 992 . 1 1 86 86 LYS C C 13 175.874 0.10 . 1 . . . A 442 LYS C . 18592 1 993 . 1 1 86 86 LYS CA C 13 55.301 0.10 . 1 . . . A 442 LYS CA . 18592 1 994 . 1 1 86 86 LYS CB C 13 33.383 0.10 . 1 . . . A 442 LYS CB . 18592 1 995 . 1 1 86 86 LYS CG C 13 25.358 0.10 . 1 . . . A 442 LYS CG . 18592 1 996 . 1 1 86 86 LYS CD C 13 29.243 0.10 . 1 . . . A 442 LYS CD . 18592 1 997 . 1 1 86 86 LYS CE C 13 42.514 0.10 . 1 . . . A 442 LYS CE . 18592 1 998 . 1 1 86 86 LYS N N 15 128.410 0.10 . 1 . . . A 442 LYS N . 18592 1 999 . 1 1 87 87 MET H H 1 9.309 0.02 . 1 . . . A 443 MET H . 18592 1 1000 . 1 1 87 87 MET HA H 1 5.476 0.02 . 1 . . . A 443 MET HA . 18592 1 1001 . 1 1 87 87 MET HB2 H 1 2.267 0.02 . 2 . . . A 443 MET HB2 . 18592 1 1002 . 1 1 87 87 MET HB3 H 1 1.991 0.02 . 2 . . . A 443 MET HB3 . 18592 1 1003 . 1 1 87 87 MET HG2 H 1 2.500 0.02 . 2 . . . A 443 MET HG2 . 18592 1 1004 . 1 1 87 87 MET HG3 H 1 2.339 0.02 . 2 . . . A 443 MET HG3 . 18592 1 1005 . 1 1 87 87 MET HE1 H 1 1.884 0.02 . . . . . A 443 MET QE . 18592 1 1006 . 1 1 87 87 MET HE2 H 1 1.884 0.02 . . . . . A 443 MET QE . 18592 1 1007 . 1 1 87 87 MET HE3 H 1 1.884 0.02 . . . . . A 443 MET QE . 18592 1 1008 . 1 1 87 87 MET C C 13 175.233 0.10 . 1 . . . A 443 MET C . 18592 1 1009 . 1 1 87 87 MET CA C 13 54.804 0.10 . 1 . . . A 443 MET CA . 18592 1 1010 . 1 1 87 87 MET CB C 13 39.200 0.10 . 1 . . . A 443 MET CB . 18592 1 1011 . 1 1 87 87 MET CG C 13 32.480 0.10 . 1 . . . A 443 MET CG . 18592 1 1012 . 1 1 87 87 MET CE C 13 16.966 0.10 . 1 . . . A 443 MET CE . 18592 1 1013 . 1 1 87 87 MET N N 15 123.783 0.10 . 1 . . . A 443 MET N . 18592 1 1014 . 1 1 88 88 LYS H H 1 9.044 0.02 . 1 . . . A 444 LYS H . 18592 1 1015 . 1 1 88 88 LYS HA H 1 5.511 0.02 . 1 . . . A 444 LYS HA . 18592 1 1016 . 1 1 88 88 LYS HB2 H 1 1.816 0.02 . 2 . . . A 444 LYS HB2 . 18592 1 1017 . 1 1 88 88 LYS HB3 H 1 1.620 0.02 . 2 . . . A 444 LYS HB3 . 18592 1 1018 . 1 1 88 88 LYS HG2 H 1 1.263 0.02 . 2 . . . A 444 LYS HG2 . 18592 1 1019 . 1 1 88 88 LYS HG3 H 1 1.365 0.02 . 2 . . . A 444 LYS HG3 . 18592 1 1020 . 1 1 88 88 LYS HD2 H 1 1.726 0.02 . 2 . . . A 444 LYS HD2 . 18592 1 1021 . 1 1 88 88 LYS HD3 H 1 1.657 0.02 . 2 . . . A 444 LYS HD3 . 18592 1 1022 . 1 1 88 88 LYS HE2 H 1 2.956 0.02 . 2 . . . A 444 LYS HE2 . 18592 1 1023 . 1 1 88 88 LYS HE3 H 1 2.956 0.02 . 2 . . . A 444 LYS HE3 . 18592 1 1024 . 1 1 88 88 LYS C C 13 176.424 0.10 . 1 . . . A 444 LYS C . 18592 1 1025 . 1 1 88 88 LYS CA C 13 54.168 0.10 . 1 . . . A 444 LYS CA . 18592 1 1026 . 1 1 88 88 LYS CB C 13 37.015 0.10 . 1 . . . A 444 LYS CB . 18592 1 1027 . 1 1 88 88 LYS CG C 13 26.006 0.10 . 1 . . . A 444 LYS CG . 18592 1 1028 . 1 1 88 88 LYS CD C 13 29.890 0.10 . 1 . . . A 444 LYS CD . 18592 1 1029 . 1 1 88 88 LYS N N 15 119.671 0.10 . 1 . . . A 444 LYS N . 18592 1 1030 . 1 1 89 89 SER H H 1 8.535 0.02 . 1 . . . A 445 SER H . 18592 1 1031 . 1 1 89 89 SER HA H 1 4.961 0.02 . 1 . . . A 445 SER HA . 18592 1 1032 . 1 1 89 89 SER HB2 H 1 4.224 0.02 . 2 . . . A 445 SER HB2 . 18592 1 1033 . 1 1 89 89 SER HB3 H 1 4.224 0.02 . 2 . . . A 445 SER HB3 . 18592 1 1034 . 1 1 89 89 SER CA C 13 56.110 0.10 . 1 . . . A 445 SER CA . 18592 1 1035 . 1 1 89 89 SER CB C 13 66.445 0.10 . 1 . . . A 445 SER CB . 18592 1 1036 . 1 1 89 89 SER N N 15 109.904 0.10 . 1 . . . A 445 SER N . 18592 1 1037 . 1 1 90 90 PRO HA H 1 5.080 0.02 . 1 . . . A 446 PRO HA . 18592 1 1038 . 1 1 90 90 PRO HB2 H 1 1.925 0.02 . 2 . . . A 446 PRO HB2 . 18592 1 1039 . 1 1 90 90 PRO HB3 H 1 2.372 0.02 . 2 . . . A 446 PRO HB3 . 18592 1 1040 . 1 1 90 90 PRO HG2 H 1 1.903 0.02 . 2 . . . A 446 PRO HG2 . 18592 1 1041 . 1 1 90 90 PRO HG3 H 1 1.903 0.02 . 2 . . . A 446 PRO HG3 . 18592 1 1042 . 1 1 90 90 PRO HD2 H 1 3.905 0.02 . 2 . . . A 446 PRO HD2 . 18592 1 1043 . 1 1 90 90 PRO HD3 H 1 2.911 0.02 . 2 . . . A 446 PRO HD3 . 18592 1 1044 . 1 1 90 90 PRO CA C 13 64.664 0.10 . 1 . . . A 446 PRO CA . 18592 1 1045 . 1 1 90 90 PRO CB C 13 31.832 0.10 . 1 . . . A 446 PRO CB . 18592 1 1046 . 1 1 90 90 PRO CG C 13 27.300 0.10 . 1 . . . A 446 PRO CG . 18592 1 1047 . 1 1 90 90 PRO CD C 13 51.578 0.10 . 1 . . . A 446 PRO CD . 18592 1 1048 . 1 1 91 91 ALA H H 1 8.016 0.02 . 1 . . . A 447 ALA H . 18592 1 1049 . 1 1 91 91 ALA HA H 1 4.285 0.02 . 1 . . . A 447 ALA HA . 18592 1 1050 . 1 1 91 91 ALA HB1 H 1 1.388 0.02 . . . . . A 447 ALA QB . 18592 1 1051 . 1 1 91 91 ALA HB2 H 1 1.388 0.02 . . . . . A 447 ALA QB . 18592 1 1052 . 1 1 91 91 ALA HB3 H 1 1.388 0.02 . . . . . A 447 ALA QB . 18592 1 1053 . 1 1 91 91 ALA C C 13 177.646 0.10 . 1 . . . A 447 ALA C . 18592 1 1054 . 1 1 91 91 ALA CA C 13 52.873 0.10 . 1 . . . A 447 ALA CA . 18592 1 1055 . 1 1 91 91 ALA CB C 13 19.879 0.10 . 1 . . . A 447 ALA CB . 18592 1 1056 . 1 1 91 91 ALA N N 15 120.204 0.10 . 1 . . . A 447 ALA N . 18592 1 1057 . 1 1 92 92 ALA H H 1 7.107 0.02 . 1 . . . A 448 ALA H . 18592 1 1058 . 1 1 92 92 ALA HA H 1 3.944 0.02 . 1 . . . A 448 ALA HA . 18592 1 1059 . 1 1 92 92 ALA HB1 H 1 1.180 0.02 . . . . . A 448 ALA QB . 18592 1 1060 . 1 1 92 92 ALA HB2 H 1 1.180 0.02 . . . . . A 448 ALA QB . 18592 1 1061 . 1 1 92 92 ALA HB3 H 1 1.180 0.02 . . . . . A 448 ALA QB . 18592 1 1062 . 1 1 92 92 ALA C C 13 176.714 0.10 . 1 . . . A 448 ALA C . 18592 1 1063 . 1 1 92 92 ALA CA C 13 58.052 0.10 . 1 . . . A 448 ALA CA . 18592 1 1064 . 1 1 92 92 ALA CB C 13 18.908 0.10 . 1 . . . A 448 ALA CB . 18592 1 1065 . 1 1 92 92 ALA N N 15 116.843 0.10 . 1 . . . A 448 ALA N . 18592 1 1066 . 1 1 93 93 CYS H H 1 7.429 0.02 . . . . . A 449 CYS H . 18592 1 1067 . 1 1 93 93 CYS HA H 1 4.752 0.02 . . . . . A 449 CYS HA . 18592 1 1068 . 1 1 93 93 CYS HB2 H 1 3.097 0.02 . . . . . A 449 CYS HB2 . 18592 1 1069 . 1 1 93 93 CYS HB3 H 1 3.514 0.02 . . . . . A 449 CYS HB3 . 18592 1 1070 . 1 1 93 93 CYS C C 13 173.782 0.10 . . . . . A 449 CYS C . 18592 1 1071 . 1 1 93 93 CYS CA C 13 55.786 0.10 . . . . . A 449 CYS CA . 18592 1 1072 . 1 1 93 93 CYS CB C 13 42.838 0.10 . . . . . A 449 CYS CB . 18592 1 1073 . 1 1 93 93 CYS N N 15 118.129 0.10 . . . . . A 449 CYS N . 18592 1 1074 . 1 1 94 94 SER H H 1 8.142 0.02 . 1 . . . A 450 SER H . 18592 1 1075 . 1 1 94 94 SER HA H 1 4.311 0.02 . 1 . . . A 450 SER HA . 18592 1 1076 . 1 1 94 94 SER HB2 H 1 3.908 0.02 . 2 . . . A 450 SER HB2 . 18592 1 1077 . 1 1 94 94 SER HB3 H 1 3.908 0.02 . 2 . . . A 450 SER HB3 . 18592 1 1078 . 1 1 94 94 SER CA C 13 60.318 0.10 . 1 . . . A 450 SER CA . 18592 1 1079 . 1 1 94 94 SER CB C 13 65.150 0.10 . 1 . . . A 450 SER CB . 18592 1 1080 . 1 1 94 94 SER N N 15 123.526 0.10 . 1 . . . A 450 SER N . 18592 1 stop_ save_