data_25010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25010 _Entry.Title ; Structural Characterization of the Hypertrophic Cardiomyopathy-Related R502W Mutant of the C3 Domain of Cardiac Myosin Binding Protein-C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-12 _Entry.Accession_date 2014-06-12 _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 _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 'Xiaolu Linda' Zhang . . . 25010 2 Soumya De . . . 25010 3 Lawrence McIntosh . . . 25010 4 Mark Paetzel . . . 25010 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' . 25010 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cardiac myosin binding protein C' . 25010 'C3 domain' . 25010 Ig-like . 25010 'hypertrophic cardiomyopathy' . 25010 R502W . 25010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 670 25010 '13C chemical shifts' 326 25010 '15N chemical shifts' 100 25010 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 3 . . 2014-09-26 2014-06-10 update BMRB 'update entry citation' 25010 2 . . 2014-07-30 2014-06-10 update author 'update ambiguity codes' 25010 1 . . 2014-07-28 2014-06-10 original author 'original release' 25010 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mq0 'Structural Characterization of the Wild-type C3 Domain of Cardiac Myosin Binding Protein-C' 25010 BMRB 25007 'Structural Characterization of the Wild-type C3 Domain of Cardiac Myosin Binding Protein-C' 25010 PDB 2MQ3 'BMRB Entry Tracking System' 25010 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi500784g _Citation.PubMed_ID 25058872 _Citation.Full_citation . _Citation.Title 'Structural Characterization of the C3 Domain of Cardiac Myosin Binding Protein C and Its Hypertrophic Cardiomyopathy-Related R502W Mutant.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 5332 _Citation.Page_last 5342 _Citation.Year 2014 _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 'Xiaolu Linda' Zhang X. L. . 25010 1 2 Soumya De S. . . 25010 1 3 Lawrence McIntosh L. P. . 25010 1 4 Mark Paetzel M. . . 25010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25010 _Assembly.ID 1 _Assembly.Name 'Hypertrophic Cardiomyopathy-Related R502W Mutant' _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 entity 1 $entity A . yes native no no . . . 25010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSHMPVLITRPLEDQLVMVG QRVEFECEVSEEGAQVKWLK DGVELTREETFKYWFKKDGQ RHHLIINEAMLEDAGHYALC TSGGQALAELIVQEK ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10856.431 _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 BMRB 25007 . entity . . . . . 100.00 95 98.95 98.95 7.07e-61 . . . . 25010 1 2 no PDB 2MQ0 . "Nmr Structure Of The C3 Domain Of Human Cardiac Myosin Binding Protein-c" . . . . . 100.00 95 98.95 98.95 7.07e-61 . . . . 25010 1 3 no PDB 2MQ3 . "Nmr Structure Of The C3 Domain Of Human Cardiac Myosin Binding Protein-c With A Hypertrophic Cardiomyopathy-related Mutation R5" . . . . . 100.00 95 100.00 100.00 2.41e-62 . . . . 25010 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 1 449 GLY . 25010 1 2 450 SER . 25010 1 3 451 HIS . 25010 1 4 452 MET . 25010 1 5 453 PRO . 25010 1 6 454 VAL . 25010 1 7 455 LEU . 25010 1 8 456 ILE . 25010 1 9 457 THR . 25010 1 10 458 ARG . 25010 1 11 459 PRO . 25010 1 12 460 LEU . 25010 1 13 461 GLU . 25010 1 14 462 ASP . 25010 1 15 463 GLN . 25010 1 16 464 LEU . 25010 1 17 465 VAL . 25010 1 18 466 MET . 25010 1 19 467 VAL . 25010 1 20 468 GLY . 25010 1 21 469 GLN . 25010 1 22 470 ARG . 25010 1 23 471 VAL . 25010 1 24 472 GLU . 25010 1 25 473 PHE . 25010 1 26 474 GLU . 25010 1 27 475 CYS . 25010 1 28 476 GLU . 25010 1 29 477 VAL . 25010 1 30 478 SER . 25010 1 31 479 GLU . 25010 1 32 480 GLU . 25010 1 33 481 GLY . 25010 1 34 482 ALA . 25010 1 35 483 GLN . 25010 1 36 484 VAL . 25010 1 37 485 LYS . 25010 1 38 486 TRP . 25010 1 39 487 LEU . 25010 1 40 488 LYS . 25010 1 41 489 ASP . 25010 1 42 490 GLY . 25010 1 43 491 VAL . 25010 1 44 492 GLU . 25010 1 45 493 LEU . 25010 1 46 494 THR . 25010 1 47 495 ARG . 25010 1 48 496 GLU . 25010 1 49 497 GLU . 25010 1 50 498 THR . 25010 1 51 499 PHE . 25010 1 52 500 LYS . 25010 1 53 501 TYR . 25010 1 54 502 TRP . 25010 1 55 503 PHE . 25010 1 56 504 LYS . 25010 1 57 505 LYS . 25010 1 58 506 ASP . 25010 1 59 507 GLY . 25010 1 60 508 GLN . 25010 1 61 509 ARG . 25010 1 62 510 HIS . 25010 1 63 511 HIS . 25010 1 64 512 LEU . 25010 1 65 513 ILE . 25010 1 66 514 ILE . 25010 1 67 515 ASN . 25010 1 68 516 GLU . 25010 1 69 517 ALA . 25010 1 70 518 MET . 25010 1 71 519 LEU . 25010 1 72 520 GLU . 25010 1 73 521 ASP . 25010 1 74 522 ALA . 25010 1 75 523 GLY . 25010 1 76 524 HIS . 25010 1 77 525 TYR . 25010 1 78 526 ALA . 25010 1 79 527 LEU . 25010 1 80 528 CYS . 25010 1 81 529 THR . 25010 1 82 530 SER . 25010 1 83 531 GLY . 25010 1 84 532 GLY . 25010 1 85 533 GLN . 25010 1 86 534 ALA . 25010 1 87 535 LEU . 25010 1 88 536 ALA . 25010 1 89 537 GLU . 25010 1 90 538 LEU . 25010 1 91 539 ILE . 25010 1 92 540 VAL . 25010 1 93 541 GLN . 25010 1 94 542 GLU . 25010 1 95 543 LYS . 25010 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25010 1 . SER 2 2 25010 1 . HIS 3 3 25010 1 . MET 4 4 25010 1 . PRO 5 5 25010 1 . VAL 6 6 25010 1 . LEU 7 7 25010 1 . ILE 8 8 25010 1 . THR 9 9 25010 1 . ARG 10 10 25010 1 . PRO 11 11 25010 1 . LEU 12 12 25010 1 . GLU 13 13 25010 1 . ASP 14 14 25010 1 . GLN 15 15 25010 1 . LEU 16 16 25010 1 . VAL 17 17 25010 1 . MET 18 18 25010 1 . VAL 19 19 25010 1 . GLY 20 20 25010 1 . GLN 21 21 25010 1 . ARG 22 22 25010 1 . VAL 23 23 25010 1 . GLU 24 24 25010 1 . PHE 25 25 25010 1 . GLU 26 26 25010 1 . CYS 27 27 25010 1 . GLU 28 28 25010 1 . VAL 29 29 25010 1 . SER 30 30 25010 1 . GLU 31 31 25010 1 . GLU 32 32 25010 1 . GLY 33 33 25010 1 . ALA 34 34 25010 1 . GLN 35 35 25010 1 . VAL 36 36 25010 1 . LYS 37 37 25010 1 . TRP 38 38 25010 1 . LEU 39 39 25010 1 . LYS 40 40 25010 1 . ASP 41 41 25010 1 . GLY 42 42 25010 1 . VAL 43 43 25010 1 . GLU 44 44 25010 1 . LEU 45 45 25010 1 . THR 46 46 25010 1 . ARG 47 47 25010 1 . GLU 48 48 25010 1 . GLU 49 49 25010 1 . THR 50 50 25010 1 . PHE 51 51 25010 1 . LYS 52 52 25010 1 . TYR 53 53 25010 1 . TRP 54 54 25010 1 . PHE 55 55 25010 1 . LYS 56 56 25010 1 . LYS 57 57 25010 1 . ASP 58 58 25010 1 . GLY 59 59 25010 1 . GLN 60 60 25010 1 . ARG 61 61 25010 1 . HIS 62 62 25010 1 . HIS 63 63 25010 1 . LEU 64 64 25010 1 . ILE 65 65 25010 1 . ILE 66 66 25010 1 . ASN 67 67 25010 1 . GLU 68 68 25010 1 . ALA 69 69 25010 1 . MET 70 70 25010 1 . LEU 71 71 25010 1 . GLU 72 72 25010 1 . ASP 73 73 25010 1 . ALA 74 74 25010 1 . GLY 75 75 25010 1 . HIS 76 76 25010 1 . TYR 77 77 25010 1 . ALA 78 78 25010 1 . LEU 79 79 25010 1 . CYS 80 80 25010 1 . THR 81 81 25010 1 . SER 82 82 25010 1 . GLY 83 83 25010 1 . GLY 84 84 25010 1 . GLN 85 85 25010 1 . ALA 86 86 25010 1 . LEU 87 87 25010 1 . ALA 88 88 25010 1 . GLU 89 89 25010 1 . LEU 90 90 25010 1 . ILE 91 91 25010 1 . VAL 92 92 25010 1 . GLN 93 93 25010 1 . GLU 94 94 25010 1 . LYS 95 95 25010 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 25010 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25010 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 25010 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 25010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25010 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25010 1 3 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 25010 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25010 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25010 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 25010 _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 temperature 298 . K 25010 1 pH 6.5 . pH 25010 1 pressure 1 . atm 25010 1 'ionic strength' 0.4 . M 25010 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25010 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25010 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25010 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25010 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25010 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25010 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25010 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25010 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25010 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25010 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25010 1 2 spectrometer_2 Bruker Avance . 600 . . . 25010 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 25010 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25010 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 25010 _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 25010 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144954 . . . . . . . . . 25010 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132916 . . . . . . . . . 25010 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 25010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25010 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 HIS HA H 1 4.666 0 . 1 . . . . 451 HIS HA . 25010 1 2 . 1 1 3 3 HIS HB2 H 1 3.188 0 . 2 . . . . 451 HIS HB2 . 25010 1 3 . 1 1 3 3 HIS HB3 H 1 3.114 0.001 . 2 . . . . 451 HIS HB3 . 25010 1 4 . 1 1 3 3 HIS HD2 H 1 6.969 0.001 . 1 . . . . 451 HIS HD2 . 25010 1 5 . 1 1 3 3 HIS HE1 H 1 8.026 0.001 . 1 . . . . 451 HIS HE1 . 25010 1 6 . 1 1 3 3 HIS CA C 13 56.039 0.025 . 1 . . . . 451 HIS CA . 25010 1 7 . 1 1 3 3 HIS CB C 13 30.388 0.126 . 1 . . . . 451 HIS CB . 25010 1 8 . 1 1 3 3 HIS CD2 C 13 119.688 0 . 1 . . . . 451 HIS CD2 . 25010 1 9 . 1 1 3 3 HIS CE1 C 13 137.99 0.021 . 1 . . . . 451 HIS CE1 . 25010 1 10 . 1 1 4 4 MET H H 1 8.328 0.003 . 1 . . . . 452 MET H . 25010 1 11 . 1 1 4 4 MET HE1 H 1 2.157 0 . 1 . . . . 452 MET QE . 25010 1 12 . 1 1 4 4 MET HE2 H 1 2.157 0 . 1 . . . . 452 MET QE . 25010 1 13 . 1 1 4 4 MET HE3 H 1 2.157 0 . 1 . . . . 452 MET QE . 25010 1 14 . 1 1 4 4 MET CB C 13 32.012 0 . 1 . . . . 452 MET CB . 25010 1 15 . 1 1 4 4 MET CE C 13 17.793 0 . 1 . . . . 452 MET CE . 25010 1 16 . 1 1 4 4 MET N N 15 123.092 0.044 . 1 . . . . 452 MET N . 25010 1 17 . 1 1 5 5 PRO HA H 1 4.316 0.004 . 1 . . . . 453 PRO HA . 25010 1 18 . 1 1 5 5 PRO HB2 H 1 2.154 0 . 2 . . . . 453 PRO HB2 . 25010 1 19 . 1 1 5 5 PRO HB3 H 1 1.667 0.001 . 2 . . . . 453 PRO HB3 . 25010 1 20 . 1 1 5 5 PRO HG2 H 1 2.023 0 . 2 . . . . 453 PRO QG . 25010 1 21 . 1 1 5 5 PRO HG3 H 1 2.023 0 . 2 . . . . 453 PRO QG . 25010 1 22 . 1 1 5 5 PRO HD2 H 1 3.68 0.008 . 2 . . . . 453 PRO HD2 . 25010 1 23 . 1 1 5 5 PRO HD3 H 1 3.798 0.003 . 2 . . . . 453 PRO HD3 . 25010 1 24 . 1 1 5 5 PRO CA C 13 62.807 0 . 1 . . . . 453 PRO CA . 25010 1 25 . 1 1 5 5 PRO CB C 13 32.23 0.01 . 1 . . . . 453 PRO CB . 25010 1 26 . 1 1 5 5 PRO CG C 13 27.412 0.019 . 1 . . . . 453 PRO CG . 25010 1 27 . 1 1 5 5 PRO CD C 13 50.548 0.062 . 1 . . . . 453 PRO CD . 25010 1 28 . 1 1 6 6 VAL H H 1 7.806 0.003 . 1 . . . . 454 VAL H . 25010 1 29 . 1 1 6 6 VAL HA H 1 3.762 0.007 . 1 . . . . 454 VAL HA . 25010 1 30 . 1 1 6 6 VAL HB H 1 2.099 0.008 . 1 . . . . 454 VAL HB . 25010 1 31 . 1 1 6 6 VAL HG11 H 1 0.939 0.002 . 2 . . . . 454 VAL QG1 . 25010 1 32 . 1 1 6 6 VAL HG12 H 1 0.939 0.002 . 2 . . . . 454 VAL QG1 . 25010 1 33 . 1 1 6 6 VAL HG13 H 1 0.939 0.002 . 2 . . . . 454 VAL QG1 . 25010 1 34 . 1 1 6 6 VAL HG21 H 1 0.97 0.003 . 2 . . . . 454 VAL QG2 . 25010 1 35 . 1 1 6 6 VAL HG22 H 1 0.97 0.003 . 2 . . . . 454 VAL QG2 . 25010 1 36 . 1 1 6 6 VAL HG23 H 1 0.97 0.003 . 2 . . . . 454 VAL QG2 . 25010 1 37 . 1 1 6 6 VAL CA C 13 63.093 0.074 . 1 . . . . 454 VAL CA . 25010 1 38 . 1 1 6 6 VAL CB C 13 32.192 0 . 1 . . . . 454 VAL CB . 25010 1 39 . 1 1 6 6 VAL CG1 C 13 21.884 0.094 . 2 . . . . 454 VAL CG1 . 25010 1 40 . 1 1 6 6 VAL CG2 C 13 21.651 0.104 . 2 . . . . 454 VAL CG2 . 25010 1 41 . 1 1 6 6 VAL N N 15 122.113 0.036 . 1 . . . . 454 VAL N . 25010 1 42 . 1 1 7 7 LEU H H 1 8.586 0.004 . 1 . . . . 455 LEU H . 25010 1 43 . 1 1 7 7 LEU HA H 1 4.459 0.002 . 1 . . . . 455 LEU HA . 25010 1 44 . 1 1 7 7 LEU HB2 H 1 1.46 0.01 . 2 . . . . 455 LEU QB . 25010 1 45 . 1 1 7 7 LEU HB3 H 1 1.46 0.01 . 2 . . . . 455 LEU QB . 25010 1 46 . 1 1 7 7 LEU HG H 1 1.571 0.014 . 1 . . . . 455 LEU HG . 25010 1 47 . 1 1 7 7 LEU HD11 H 1 0.881 0 . 2 . . . . 455 LEU QD1 . 25010 1 48 . 1 1 7 7 LEU HD12 H 1 0.881 0 . 2 . . . . 455 LEU QD1 . 25010 1 49 . 1 1 7 7 LEU HD13 H 1 0.881 0 . 2 . . . . 455 LEU QD1 . 25010 1 50 . 1 1 7 7 LEU HD21 H 1 0.761 0.004 . 2 . . . . 455 LEU QD2 . 25010 1 51 . 1 1 7 7 LEU HD22 H 1 0.761 0.004 . 2 . . . . 455 LEU QD2 . 25010 1 52 . 1 1 7 7 LEU HD23 H 1 0.761 0.004 . 2 . . . . 455 LEU QD2 . 25010 1 53 . 1 1 7 7 LEU CA C 13 53.133 0.198 . 1 . . . . 455 LEU CA . 25010 1 54 . 1 1 7 7 LEU CB C 13 43.699 0.027 . 1 . . . . 455 LEU CB . 25010 1 55 . 1 1 7 7 LEU CG C 13 26.88 0 . 1 . . . . 455 LEU CG . 25010 1 56 . 1 1 7 7 LEU CD1 C 13 24.79 0.031 . 2 . . . . 455 LEU CD1 . 25010 1 57 . 1 1 7 7 LEU CD2 C 13 22.587 0.037 . 2 . . . . 455 LEU CD2 . 25010 1 58 . 1 1 7 7 LEU N N 15 129.322 0.052 . 1 . . . . 455 LEU N . 25010 1 59 . 1 1 8 8 ILE H H 1 8.519 0.002 . 1 . . . . 456 ILE H . 25010 1 60 . 1 1 8 8 ILE HA H 1 4.259 0.005 . 1 . . . . 456 ILE HA . 25010 1 61 . 1 1 8 8 ILE HB H 1 1.861 0.003 . 1 . . . . 456 ILE HB . 25010 1 62 . 1 1 8 8 ILE HG12 H 1 0.996 0.007 . 2 . . . . 456 ILE HG12 . 25010 1 63 . 1 1 8 8 ILE HG13 H 1 1.291 0.008 . 2 . . . . 456 ILE HG13 . 25010 1 64 . 1 1 8 8 ILE HG21 H 1 0.746 0.005 . 1 . . . . 456 ILE QG2 . 25010 1 65 . 1 1 8 8 ILE HG22 H 1 0.746 0.005 . 1 . . . . 456 ILE QG2 . 25010 1 66 . 1 1 8 8 ILE HG23 H 1 0.746 0.005 . 1 . . . . 456 ILE QG2 . 25010 1 67 . 1 1 8 8 ILE HD11 H 1 0.596 0.002 . 1 . . . . 456 ILE QD1 . 25010 1 68 . 1 1 8 8 ILE HD12 H 1 0.596 0.002 . 1 . . . . 456 ILE QD1 . 25010 1 69 . 1 1 8 8 ILE HD13 H 1 0.596 0.002 . 1 . . . . 456 ILE QD1 . 25010 1 70 . 1 1 8 8 ILE CA C 13 60.937 0.011 . 1 . . . . 456 ILE CA . 25010 1 71 . 1 1 8 8 ILE CB C 13 36.86 0.07 . 1 . . . . 456 ILE CB . 25010 1 72 . 1 1 8 8 ILE CG1 C 13 28.017 0 . 1 . . . . 456 ILE CG1 . 25010 1 73 . 1 1 8 8 ILE CG2 C 13 18.171 0.066 . 1 . . . . 456 ILE CG2 . 25010 1 74 . 1 1 8 8 ILE CD1 C 13 12.892 0.023 . 1 . . . . 456 ILE CD1 . 25010 1 75 . 1 1 8 8 ILE N N 15 120.924 0.042 . 1 . . . . 456 ILE N . 25010 1 76 . 1 1 9 9 THR H H 1 8.671 0.002 . 1 . . . . 457 THR H . 25010 1 77 . 1 1 9 9 THR HA H 1 4.297 0.009 . 1 . . . . 457 THR HA . 25010 1 78 . 1 1 9 9 THR HB H 1 4.124 0.007 . 1 . . . . 457 THR HB . 25010 1 79 . 1 1 9 9 THR HG21 H 1 0.97 0.001 . 1 . . . . 457 THR QG2 . 25010 1 80 . 1 1 9 9 THR HG22 H 1 0.97 0.001 . 1 . . . . 457 THR QG2 . 25010 1 81 . 1 1 9 9 THR HG23 H 1 0.97 0.001 . 1 . . . . 457 THR QG2 . 25010 1 82 . 1 1 9 9 THR CA C 13 62.783 0.026 . 1 . . . . 457 THR CA . 25010 1 83 . 1 1 9 9 THR CB C 13 67.927 0.015 . 1 . . . . 457 THR CB . 25010 1 84 . 1 1 9 9 THR CG2 C 13 22.817 0.015 . 1 . . . . 457 THR CG2 . 25010 1 85 . 1 1 9 9 THR N N 15 120.896 0.042 . 1 . . . . 457 THR N . 25010 1 86 . 1 1 10 10 ARG H H 1 7.576 0.003 . 1 . . . . 458 ARG H . 25010 1 87 . 1 1 10 10 ARG HA H 1 4.931 0.015 . 1 . . . . 458 ARG HA . 25010 1 88 . 1 1 10 10 ARG HB2 H 1 1.825 0.018 . 2 . . . . 458 ARG QB . 25010 1 89 . 1 1 10 10 ARG HB3 H 1 1.825 0.018 . 2 . . . . 458 ARG QB . 25010 1 90 . 1 1 10 10 ARG HG2 H 1 1.248 0 . 2 . . . . 458 ARG QG . 25010 1 91 . 1 1 10 10 ARG HG3 H 1 1.248 0 . 2 . . . . 458 ARG QG . 25010 1 92 . 1 1 10 10 ARG HD2 H 1 3.203 0.01 . 2 . . . . 458 ARG QD . 25010 1 93 . 1 1 10 10 ARG HD3 H 1 3.203 0.01 . 2 . . . . 458 ARG QD . 25010 1 94 . 1 1 10 10 ARG CA C 13 53.816 0 . 1 . . . . 458 ARG CA . 25010 1 95 . 1 1 10 10 ARG CB C 13 32.443 0.131 . 1 . . . . 458 ARG CB . 25010 1 96 . 1 1 10 10 ARG CG C 13 27.303 0 . 1 . . . . 458 ARG CG . 25010 1 97 . 1 1 10 10 ARG CD C 13 42.83 0.44 . 1 . . . . 458 ARG CD . 25010 1 98 . 1 1 10 10 ARG N N 15 122.706 0.046 . 1 . . . . 458 ARG N . 25010 1 99 . 1 1 11 11 PRO HA H 1 4.315 0.003 . 1 . . . . 459 PRO HA . 25010 1 100 . 1 1 11 11 PRO HB2 H 1 2.356 0.007 . 2 . . . . 459 PRO QB . 25010 1 101 . 1 1 11 11 PRO HB3 H 1 2.356 0.007 . 2 . . . . 459 PRO QB . 25010 1 102 . 1 1 11 11 PRO HG2 H 1 2.045 0.016 . 2 . . . . 459 PRO QG . 25010 1 103 . 1 1 11 11 PRO HG3 H 1 2.045 0.016 . 2 . . . . 459 PRO QG . 25010 1 104 . 1 1 11 11 PRO HD2 H 1 3.829 0.006 . 2 . . . . 459 PRO HD2 . 25010 1 105 . 1 1 11 11 PRO HD3 H 1 3.657 0.009 . 2 . . . . 459 PRO HD3 . 25010 1 106 . 1 1 11 11 PRO CA C 13 62.763 0.15 . 1 . . . . 459 PRO CA . 25010 1 107 . 1 1 11 11 PRO CB C 13 32.644 0.019 . 1 . . . . 459 PRO CB . 25010 1 108 . 1 1 11 11 PRO CG C 13 26.829 0.212 . 1 . . . . 459 PRO CG . 25010 1 109 . 1 1 11 11 PRO CD C 13 51.256 0 . 1 . . . . 459 PRO CD . 25010 1 110 . 1 1 12 12 LEU H H 1 6.134 0.003 . 1 . . . . 460 LEU H . 25010 1 111 . 1 1 12 12 LEU HA H 1 4.575 0.001 . 1 . . . . 460 LEU HA . 25010 1 112 . 1 1 12 12 LEU HB2 H 1 1.556 0.004 . 2 . . . . 460 LEU QB . 25010 1 113 . 1 1 12 12 LEU HB3 H 1 1.556 0.004 . 2 . . . . 460 LEU QB . 25010 1 114 . 1 1 12 12 LEU HG H 1 1.561 0 . 1 . . . . 460 LEU HG . 25010 1 115 . 1 1 12 12 LEU HD11 H 1 0.755 0.001 . 2 . . . . 460 LEU QD1 . 25010 1 116 . 1 1 12 12 LEU HD12 H 1 0.755 0.001 . 2 . . . . 460 LEU QD1 . 25010 1 117 . 1 1 12 12 LEU HD13 H 1 0.755 0.001 . 2 . . . . 460 LEU QD1 . 25010 1 118 . 1 1 12 12 LEU HD21 H 1 1.086 0.002 . 2 . . . . 460 LEU QD2 . 25010 1 119 . 1 1 12 12 LEU HD22 H 1 1.086 0.002 . 2 . . . . 460 LEU QD2 . 25010 1 120 . 1 1 12 12 LEU HD23 H 1 1.086 0.002 . 2 . . . . 460 LEU QD2 . 25010 1 121 . 1 1 12 12 LEU CA C 13 55.114 0.068 . 1 . . . . 460 LEU CA . 25010 1 122 . 1 1 12 12 LEU CB C 13 45.383 0.067 . 1 . . . . 460 LEU CB . 25010 1 123 . 1 1 12 12 LEU CG C 13 27.104 0 . 1 . . . . 460 LEU CG . 25010 1 124 . 1 1 12 12 LEU CD1 C 13 25.716 0 . 2 . . . . 460 LEU CD1 . 25010 1 125 . 1 1 12 12 LEU CD2 C 13 24.444 0.074 . 2 . . . . 460 LEU CD2 . 25010 1 126 . 1 1 12 12 LEU N N 15 115.406 0.042 . 1 . . . . 460 LEU N . 25010 1 127 . 1 1 13 13 GLU H H 1 8.409 0.004 . 1 . . . . 461 GLU H . 25010 1 128 . 1 1 13 13 GLU HA H 1 4.826 0.003 . 1 . . . . 461 GLU HA . 25010 1 129 . 1 1 13 13 GLU HB2 H 1 2.216 0.004 . 2 . . . . 461 GLU HB2 . 25010 1 130 . 1 1 13 13 GLU HB3 H 1 1.91 0.007 . 2 . . . . 461 GLU HB3 . 25010 1 131 . 1 1 13 13 GLU HG2 H 1 2.393 0.002 . 2 . . . . 461 GLU QG . 25010 1 132 . 1 1 13 13 GLU HG3 H 1 2.393 0.002 . 2 . . . . 461 GLU QG . 25010 1 133 . 1 1 13 13 GLU CA C 13 54.846 0.026 . 1 . . . . 461 GLU CA . 25010 1 134 . 1 1 13 13 GLU CB C 13 32.513 0.094 . 1 . . . . 461 GLU CB . 25010 1 135 . 1 1 13 13 GLU CG C 13 36.285 0.017 . 1 . . . . 461 GLU CG . 25010 1 136 . 1 1 13 13 GLU N N 15 120.629 0.033 . 1 . . . . 461 GLU N . 25010 1 137 . 1 1 14 14 ASP H H 1 8.603 0.004 . 1 . . . . 462 ASP H . 25010 1 138 . 1 1 14 14 ASP HA H 1 5.043 0.003 . 1 . . . . 462 ASP HA . 25010 1 139 . 1 1 14 14 ASP HB2 H 1 3.038 0.004 . 1 . . . . 462 ASP HB2 . 25010 1 140 . 1 1 14 14 ASP HB3 H 1 2.64 0.004 . 1 . . . . 462 ASP HB3 . 25010 1 141 . 1 1 14 14 ASP CA C 13 55.551 0.029 . 1 . . . . 462 ASP CA . 25010 1 142 . 1 1 14 14 ASP CB C 13 41.18 0.021 . 1 . . . . 462 ASP CB . 25010 1 143 . 1 1 14 14 ASP N N 15 122.487 0.031 . 1 . . . . 462 ASP N . 25010 1 144 . 1 1 15 15 GLN H H 1 8.785 0.003 . 1 . . . . 463 GLN H . 25010 1 145 . 1 1 15 15 GLN HA H 1 4.687 0.002 . 1 . . . . 463 GLN HA . 25010 1 146 . 1 1 15 15 GLN HB2 H 1 1.48 0.019 . 2 . . . . 463 GLN HB2 . 25010 1 147 . 1 1 15 15 GLN HB3 H 1 2.226 0.002 . 2 . . . . 463 GLN HB3 . 25010 1 148 . 1 1 15 15 GLN HG2 H 1 1.833 0.007 . 2 . . . . 463 GLN QG . 25010 1 149 . 1 1 15 15 GLN HG3 H 1 1.833 0.007 . 2 . . . . 463 GLN QG . 25010 1 150 . 1 1 15 15 GLN HE21 H 1 6.746 0.006 . 1 . . . . 463 GLN HE21 . 25010 1 151 . 1 1 15 15 GLN HE22 H 1 6.562 0.001 . 1 . . . . 463 GLN HE22 . 25010 1 152 . 1 1 15 15 GLN CA C 13 54.383 0.065 . 1 . . . . 463 GLN CA . 25010 1 153 . 1 1 15 15 GLN CB C 13 33.212 0.03 . 1 . . . . 463 GLN CB . 25010 1 154 . 1 1 15 15 GLN CG C 13 31.875 0 . 1 . . . . 463 GLN CG . 25010 1 155 . 1 1 15 15 GLN N N 15 117.119 0.049 . 1 . . . . 463 GLN N . 25010 1 156 . 1 1 15 15 GLN NE2 N 15 113.236 0.021 . 1 . . . . 463 GLN NE2 . 25010 1 157 . 1 1 16 16 LEU H H 1 8.42 0.003 . 1 . . . . 464 LEU H . 25010 1 158 . 1 1 16 16 LEU HA H 1 5.337 0.016 . 1 . . . . 464 LEU HA . 25010 1 159 . 1 1 16 16 LEU HB2 H 1 1.487 0.002 . 1 . . . . 464 LEU HB2 . 25010 1 160 . 1 1 16 16 LEU HB3 H 1 1.686 0.008 . 1 . . . . 464 LEU HB3 . 25010 1 161 . 1 1 16 16 LEU HG H 1 1.399 0.009 . 1 . . . . 464 LEU HG . 25010 1 162 . 1 1 16 16 LEU HD11 H 1 0.854 0.006 . 2 . . . . 464 LEU QD1 . 25010 1 163 . 1 1 16 16 LEU HD12 H 1 0.854 0.006 . 2 . . . . 464 LEU QD1 . 25010 1 164 . 1 1 16 16 LEU HD13 H 1 0.854 0.006 . 2 . . . . 464 LEU QD1 . 25010 1 165 . 1 1 16 16 LEU HD21 H 1 0.787 0.003 . 2 . . . . 464 LEU QD2 . 25010 1 166 . 1 1 16 16 LEU HD22 H 1 0.787 0.003 . 2 . . . . 464 LEU QD2 . 25010 1 167 . 1 1 16 16 LEU HD23 H 1 0.787 0.003 . 2 . . . . 464 LEU QD2 . 25010 1 168 . 1 1 16 16 LEU CA C 13 54.511 0.156 . 1 . . . . 464 LEU CA . 25010 1 169 . 1 1 16 16 LEU CB C 13 44.048 0.062 . 1 . . . . 464 LEU CB . 25010 1 170 . 1 1 16 16 LEU CG C 13 28.055 0.07 . 1 . . . . 464 LEU CG . 25010 1 171 . 1 1 16 16 LEU CD1 C 13 24.933 0.056 . 1 . . . . 464 LEU CD1 . 25010 1 172 . 1 1 16 16 LEU CD2 C 13 24.811 0 . 1 . . . . 464 LEU CD2 . 25010 1 173 . 1 1 16 16 LEU N N 15 127.523 0.041 . 1 . . . . 464 LEU N . 25010 1 174 . 1 1 17 17 VAL H H 1 8.73 0.004 . 1 . . . . 465 VAL H . 25010 1 175 . 1 1 17 17 VAL HA H 1 4.796 0.003 . 1 . . . . 465 VAL HA . 25010 1 176 . 1 1 17 17 VAL HB H 1 2.201 0.005 . 1 . . . . 465 VAL HB . 25010 1 177 . 1 1 17 17 VAL HG11 H 1 0.68 0.004 . 2 . . . . 465 VAL QG1 . 25010 1 178 . 1 1 17 17 VAL HG12 H 1 0.68 0.004 . 2 . . . . 465 VAL QG1 . 25010 1 179 . 1 1 17 17 VAL HG13 H 1 0.68 0.004 . 2 . . . . 465 VAL QG1 . 25010 1 180 . 1 1 17 17 VAL HG21 H 1 0.818 0.003 . 2 . . . . 465 VAL QG2 . 25010 1 181 . 1 1 17 17 VAL HG22 H 1 0.818 0.003 . 2 . . . . 465 VAL QG2 . 25010 1 182 . 1 1 17 17 VAL HG23 H 1 0.818 0.003 . 2 . . . . 465 VAL QG2 . 25010 1 183 . 1 1 17 17 VAL CA C 13 58.546 0.072 . 1 . . . . 465 VAL CA . 25010 1 184 . 1 1 17 17 VAL CB C 13 36.136 0 . 1 . . . . 465 VAL CB . 25010 1 185 . 1 1 17 17 VAL CG1 C 13 19.31 0.039 . 1 . . . . 465 VAL CG1 . 25010 1 186 . 1 1 17 17 VAL CG2 C 13 21.427 0.078 . 1 . . . . 465 VAL CG2 . 25010 1 187 . 1 1 17 17 VAL N N 15 119.244 0.042 . 1 . . . . 465 VAL N . 25010 1 188 . 1 1 18 18 MET H H 1 8.099 0.003 . 1 . . . . 466 MET H . 25010 1 189 . 1 1 18 18 MET HA H 1 5.269 0.003 . 1 . . . . 466 MET HA . 25010 1 190 . 1 1 18 18 MET HB2 H 1 2.039 0.008 . 2 . . . . 466 MET HB2 . 25010 1 191 . 1 1 18 18 MET HB3 H 1 1.833 0.003 . 2 . . . . 466 MET HB3 . 25010 1 192 . 1 1 18 18 MET HG2 H 1 2.663 0.008 . 2 . . . . 466 MET HG2 . 25010 1 193 . 1 1 18 18 MET HG3 H 1 2.546 0.012 . 2 . . . . 466 MET HG3 . 25010 1 194 . 1 1 18 18 MET HE1 H 1 2.012 0 . 1 . . . . 466 MET QE . 25010 1 195 . 1 1 18 18 MET HE2 H 1 2.012 0 . 1 . . . . 466 MET QE . 25010 1 196 . 1 1 18 18 MET HE3 H 1 2.012 0 . 1 . . . . 466 MET QE . 25010 1 197 . 1 1 18 18 MET CA C 13 52.842 0.075 . 1 . . . . 466 MET CA . 25010 1 198 . 1 1 18 18 MET CB C 13 33.563 0.069 . 1 . . . . 466 MET CB . 25010 1 199 . 1 1 18 18 MET CG C 13 32.306 0.016 . 1 . . . . 466 MET CG . 25010 1 200 . 1 1 18 18 MET CE C 13 17.021 0 . 1 . . . . 466 MET CE . 25010 1 201 . 1 1 18 18 MET N N 15 119.234 0.043 . 1 . . . . 466 MET N . 25010 1 202 . 1 1 19 19 VAL H H 1 7.917 0.004 . 1 . . . . 467 VAL H . 25010 1 203 . 1 1 19 19 VAL HA H 1 3.457 0.003 . 1 . . . . 467 VAL HA . 25010 1 204 . 1 1 19 19 VAL HB H 1 1.966 0.007 . 1 . . . . 467 VAL HB . 25010 1 205 . 1 1 19 19 VAL HG11 H 1 1.039 0.008 . 2 . . . . 467 VAL QG1 . 25010 1 206 . 1 1 19 19 VAL HG12 H 1 1.039 0.008 . 2 . . . . 467 VAL QG1 . 25010 1 207 . 1 1 19 19 VAL HG13 H 1 1.039 0.008 . 2 . . . . 467 VAL QG1 . 25010 1 208 . 1 1 19 19 VAL HG21 H 1 1.082 0.007 . 2 . . . . 467 VAL QG2 . 25010 1 209 . 1 1 19 19 VAL HG22 H 1 1.082 0.007 . 2 . . . . 467 VAL QG2 . 25010 1 210 . 1 1 19 19 VAL HG23 H 1 1.082 0.007 . 2 . . . . 467 VAL QG2 . 25010 1 211 . 1 1 19 19 VAL CA C 13 64.434 0.066 . 1 . . . . 467 VAL CA . 25010 1 212 . 1 1 19 19 VAL CB C 13 32.22 0.059 . 1 . . . . 467 VAL CB . 25010 1 213 . 1 1 19 19 VAL CG1 C 13 23.21 0.053 . 2 . . . . 467 VAL CG1 . 25010 1 214 . 1 1 19 19 VAL CG2 C 13 21.363 0.02 . 2 . . . . 467 VAL CG2 . 25010 1 215 . 1 1 19 19 VAL N N 15 119.519 0.04 . 1 . . . . 467 VAL N . 25010 1 216 . 1 1 20 20 GLY H H 1 9.845 0.002 . 1 . . . . 468 GLY H . 25010 1 217 . 1 1 20 20 GLY HA2 H 1 3.497 0.017 . 1 . . . . 468 GLY HA2 . 25010 1 218 . 1 1 20 20 GLY HA3 H 1 4.438 0.014 . 1 . . . . 468 GLY HA3 . 25010 1 219 . 1 1 20 20 GLY CA C 13 44.814 0.084 . 1 . . . . 468 GLY CA . 25010 1 220 . 1 1 20 20 GLY N N 15 115.365 0.041 . 1 . . . . 468 GLY N . 25010 1 221 . 1 1 21 21 GLN H H 1 7.984 0.002 . 1 . . . . 469 GLN H . 25010 1 222 . 1 1 21 21 GLN HA H 1 4.433 0.002 . 1 . . . . 469 GLN HA . 25010 1 223 . 1 1 21 21 GLN HB2 H 1 2.163 0.002 . 1 . . . . 469 GLN HB2 . 25010 1 224 . 1 1 21 21 GLN HB3 H 1 2.281 0.005 . 1 . . . . 469 GLN HB3 . 25010 1 225 . 1 1 21 21 GLN HG2 H 1 2.482 0.003 . 2 . . . . 469 GLN QG . 25010 1 226 . 1 1 21 21 GLN HG3 H 1 2.482 0.003 . 2 . . . . 469 GLN QG . 25010 1 227 . 1 1 21 21 GLN HE21 H 1 7.024 0.001 . 2 . . . . 469 GLN HE21 . 25010 1 228 . 1 1 21 21 GLN HE22 H 1 7.73 0.001 . 2 . . . . 469 GLN HE22 . 25010 1 229 . 1 1 21 21 GLN CA C 13 55.841 0.03 . 1 . . . . 469 GLN CA . 25010 1 230 . 1 1 21 21 GLN CB C 13 30.198 0.06 . 1 . . . . 469 GLN CB . 25010 1 231 . 1 1 21 21 GLN CG C 13 34.82 0.024 . 1 . . . . 469 GLN CG . 25010 1 232 . 1 1 21 21 GLN N N 15 120.329 0.044 . 1 . . . . 469 GLN N . 25010 1 233 . 1 1 21 21 GLN NE2 N 15 113.133 0.01 . 1 . . . . 469 GLN NE2 . 25010 1 234 . 1 1 22 22 ARG H H 1 8.138 0.002 . 1 . . . . 470 ARG H . 25010 1 235 . 1 1 22 22 ARG HA H 1 4.603 0.002 . 1 . . . . 470 ARG HA . 25010 1 236 . 1 1 22 22 ARG HB2 H 1 1.621 0.006 . 1 . . . . 470 ARG HB2 . 25010 1 237 . 1 1 22 22 ARG HB3 H 1 1.865 0.003 . 1 . . . . 470 ARG HB3 . 25010 1 238 . 1 1 22 22 ARG HG2 H 1 1.362 0.005 . 2 . . . . 470 ARG QG . 25010 1 239 . 1 1 22 22 ARG HG3 H 1 1.362 0.005 . 2 . . . . 470 ARG QG . 25010 1 240 . 1 1 22 22 ARG HD2 H 1 3.173 0.007 . 2 . . . . 470 ARG QD . 25010 1 241 . 1 1 22 22 ARG HD3 H 1 3.173 0.007 . 2 . . . . 470 ARG QD . 25010 1 242 . 1 1 22 22 ARG HE H 1 7.396 0 . 1 . . . . 470 ARG HE . 25010 1 243 . 1 1 22 22 ARG CA C 13 55.873 0.095 . 1 . . . . 470 ARG CA . 25010 1 244 . 1 1 22 22 ARG CB C 13 31.614 0.046 . 1 . . . . 470 ARG CB . 25010 1 245 . 1 1 22 22 ARG CG C 13 27.676 0.097 . 1 . . . . 470 ARG CG . 25010 1 246 . 1 1 22 22 ARG CD C 13 43.835 0.033 . 1 . . . . 470 ARG CD . 25010 1 247 . 1 1 22 22 ARG N N 15 122.94 0.028 . 1 . . . . 470 ARG N . 25010 1 248 . 1 1 22 22 ARG NE N 15 85.189 0 . 1 . . . . 470 ARG NE . 25010 1 249 . 1 1 23 23 VAL H H 1 8.869 0.003 . 1 . . . . 471 VAL H . 25010 1 250 . 1 1 23 23 VAL HA H 1 4.135 0.002 . 1 . . . . 471 VAL HA . 25010 1 251 . 1 1 23 23 VAL HB H 1 1.725 0.006 . 1 . . . . 471 VAL HB . 25010 1 252 . 1 1 23 23 VAL HG11 H 1 0.779 0.004 . 2 . . . . 471 VAL QG1 . 25010 1 253 . 1 1 23 23 VAL HG12 H 1 0.779 0.004 . 2 . . . . 471 VAL QG1 . 25010 1 254 . 1 1 23 23 VAL HG13 H 1 0.779 0.004 . 2 . . . . 471 VAL QG1 . 25010 1 255 . 1 1 23 23 VAL HG21 H 1 0.343 0.004 . 2 . . . . 471 VAL QG2 . 25010 1 256 . 1 1 23 23 VAL HG22 H 1 0.343 0.004 . 2 . . . . 471 VAL QG2 . 25010 1 257 . 1 1 23 23 VAL HG23 H 1 0.343 0.004 . 2 . . . . 471 VAL QG2 . 25010 1 258 . 1 1 23 23 VAL CA C 13 60.424 0.023 . 1 . . . . 471 VAL CA . 25010 1 259 . 1 1 23 23 VAL CB C 13 34.725 0.036 . 1 . . . . 471 VAL CB . 25010 1 260 . 1 1 23 23 VAL CG1 C 13 22.846 0.059 . 2 . . . . 471 VAL CG1 . 25010 1 261 . 1 1 23 23 VAL CG2 C 13 21.217 0.016 . 2 . . . . 471 VAL CG2 . 25010 1 262 . 1 1 23 23 VAL N N 15 127.1 0.047 . 1 . . . . 471 VAL N . 25010 1 263 . 1 1 24 24 GLU H H 1 8.601 0.004 . 1 . . . . 472 GLU H . 25010 1 264 . 1 1 24 24 GLU HA H 1 5.096 0.005 . 1 . . . . 472 GLU HA . 25010 1 265 . 1 1 24 24 GLU HB2 H 1 1.851 0 . 2 . . . . 472 GLU HB2 . 25010 1 266 . 1 1 24 24 GLU HB3 H 1 1.78 0.002 . 2 . . . . 472 GLU HB3 . 25010 1 267 . 1 1 24 24 GLU HG2 H 1 2.049 0.001 . 2 . . . . 472 GLU QG . 25010 1 268 . 1 1 24 24 GLU HG3 H 1 2.049 0.001 . 2 . . . . 472 GLU QG . 25010 1 269 . 1 1 24 24 GLU CA C 13 54.644 0.115 . 1 . . . . 472 GLU CA . 25010 1 270 . 1 1 24 24 GLU CB C 13 32.89 0.033 . 1 . . . . 472 GLU CB . 25010 1 271 . 1 1 24 24 GLU CG C 13 36.086 0.046 . 1 . . . . 472 GLU CG . 25010 1 272 . 1 1 24 24 GLU N N 15 126.22 0.035 . 1 . . . . 472 GLU N . 25010 1 273 . 1 1 25 25 PHE H H 1 9.275 0.002 . 1 . . . . 473 PHE H . 25010 1 274 . 1 1 25 25 PHE HA H 1 4.747 0.001 . 1 . . . . 473 PHE HA . 25010 1 275 . 1 1 25 25 PHE HB2 H 1 3.207 0.002 . 2 . . . . 473 PHE HB2 . 25010 1 276 . 1 1 25 25 PHE HB3 H 1 2.824 0.001 . 2 . . . . 473 PHE HB3 . 25010 1 277 . 1 1 25 25 PHE HD1 H 1 6.731 0.002 . 1 . . . . 473 PHE HD1 . 25010 1 278 . 1 1 25 25 PHE HD2 H 1 6.731 0.002 . 1 . . . . 473 PHE HD2 . 25010 1 279 . 1 1 25 25 PHE CA C 13 57.513 0 . 1 . . . . 473 PHE CA . 25010 1 280 . 1 1 25 25 PHE CB C 13 41.975 0.02 . 1 . . . . 473 PHE CB . 25010 1 281 . 1 1 25 25 PHE CD1 C 13 128.519 0 . 1 . . . . 473 PHE CD1 . 25010 1 282 . 1 1 25 25 PHE CD2 C 13 128.519 0 . 1 . . . . 473 PHE CD2 . 25010 1 283 . 1 1 25 25 PHE N N 15 125.641 0.049 . 1 . . . . 473 PHE N . 25010 1 284 . 1 1 26 26 GLU H H 1 8.452 0.002 . 1 . . . . 474 GLU H . 25010 1 285 . 1 1 26 26 GLU HA H 1 5.369 0.002 . 1 . . . . 474 GLU HA . 25010 1 286 . 1 1 26 26 GLU HB2 H 1 1.67 0 . 2 . . . . 474 GLU QB . 25010 1 287 . 1 1 26 26 GLU HB3 H 1 1.67 0 . 2 . . . . 474 GLU QB . 25010 1 288 . 1 1 26 26 GLU HG2 H 1 1.753 0.007 . 2 . . . . 474 GLU QG . 25010 1 289 . 1 1 26 26 GLU HG3 H 1 1.753 0.007 . 2 . . . . 474 GLU QG . 25010 1 290 . 1 1 26 26 GLU CA C 13 54.976 0.05 . 1 . . . . 474 GLU CA . 25010 1 291 . 1 1 26 26 GLU CB C 13 32.849 0 . 1 . . . . 474 GLU CB . 25010 1 292 . 1 1 26 26 GLU CG C 13 35.899 0.035 . 1 . . . . 474 GLU CG . 25010 1 293 . 1 1 26 26 GLU N N 15 120.663 0.027 . 1 . . . . 474 GLU N . 25010 1 294 . 1 1 27 27 CYS H H 1 9.015 0.005 . 1 . . . . 475 CYS H . 25010 1 295 . 1 1 27 27 CYS HA H 1 4.818 0.001 . 1 . . . . 475 CYS HA . 25010 1 296 . 1 1 27 27 CYS HB2 H 1 3.114 0.003 . 2 . . . . 475 CYS HB2 . 25010 1 297 . 1 1 27 27 CYS HB3 H 1 2.618 0.005 . 2 . . . . 475 CYS HB3 . 25010 1 298 . 1 1 27 27 CYS CA C 13 56.706 0.03 . 1 . . . . 475 CYS CA . 25010 1 299 . 1 1 27 27 CYS CB C 13 30.937 0.076 . 1 . . . . 475 CYS CB . 25010 1 300 . 1 1 27 27 CYS N N 15 121.477 0.04 . 1 . . . . 475 CYS N . 25010 1 301 . 1 1 28 28 GLU H H 1 8.574 0.003 . 1 . . . . 476 GLU H . 25010 1 302 . 1 1 28 28 GLU HA H 1 5.522 0.002 . 1 . . . . 476 GLU HA . 25010 1 303 . 1 1 28 28 GLU HB2 H 1 1.823 0.004 . 2 . . . . 476 GLU QB . 25010 1 304 . 1 1 28 28 GLU HB3 H 1 1.823 0.004 . 2 . . . . 476 GLU QB . 25010 1 305 . 1 1 28 28 GLU HG2 H 1 2.06 0.016 . 1 . . . . 476 GLU HG2 . 25010 1 306 . 1 1 28 28 GLU HG3 H 1 2.354 0.004 . 1 . . . . 476 GLU HG3 . 25010 1 307 . 1 1 28 28 GLU CA C 13 55.076 0.112 . 1 . . . . 476 GLU CA . 25010 1 308 . 1 1 28 28 GLU CB C 13 33.796 0.057 . 1 . . . . 476 GLU CB . 25010 1 309 . 1 1 28 28 GLU CG C 13 38 0.039 . 1 . . . . 476 GLU CG . 25010 1 310 . 1 1 28 28 GLU N N 15 123.383 0.062 . 1 . . . . 476 GLU N . 25010 1 311 . 1 1 29 29 VAL H H 1 8.739 0.004 . 1 . . . . 477 VAL H . 25010 1 312 . 1 1 29 29 VAL HA H 1 5.43 0.008 . 1 . . . . 477 VAL HA . 25010 1 313 . 1 1 29 29 VAL HB H 1 2.25 0.002 . 1 . . . . 477 VAL HB . 25010 1 314 . 1 1 29 29 VAL HG11 H 1 0.664 0.003 . 2 . . . . 477 VAL QG1 . 25010 1 315 . 1 1 29 29 VAL HG12 H 1 0.664 0.003 . 2 . . . . 477 VAL QG1 . 25010 1 316 . 1 1 29 29 VAL HG13 H 1 0.664 0.003 . 2 . . . . 477 VAL QG1 . 25010 1 317 . 1 1 29 29 VAL HG21 H 1 1.063 0.003 . 2 . . . . 477 VAL QG2 . 25010 1 318 . 1 1 29 29 VAL HG22 H 1 1.063 0.003 . 2 . . . . 477 VAL QG2 . 25010 1 319 . 1 1 29 29 VAL HG23 H 1 1.063 0.003 . 2 . . . . 477 VAL QG2 . 25010 1 320 . 1 1 29 29 VAL CA C 13 58.827 0.08 . 1 . . . . 477 VAL CA . 25010 1 321 . 1 1 29 29 VAL CB C 13 34.087 0 . 1 . . . . 477 VAL CB . 25010 1 322 . 1 1 29 29 VAL CG1 C 13 21.984 0.043 . 1 . . . . 477 VAL CG1 . 25010 1 323 . 1 1 29 29 VAL CG2 C 13 19.476 0.028 . 1 . . . . 477 VAL CG2 . 25010 1 324 . 1 1 29 29 VAL N N 15 116.481 0.042 . 1 . . . . 477 VAL N . 25010 1 325 . 1 1 30 30 SER H H 1 8.779 0.001 . 1 . . . . 478 SER H . 25010 1 326 . 1 1 30 30 SER HA H 1 4.072 0.003 . 1 . . . . 478 SER HA . 25010 1 327 . 1 1 30 30 SER HB2 H 1 3.726 0.002 . 2 . . . . 478 SER QB . 25010 1 328 . 1 1 30 30 SER HB3 H 1 3.726 0.002 . 2 . . . . 478 SER QB . 25010 1 329 . 1 1 30 30 SER CA C 13 60.984 0.144 . 1 . . . . 478 SER CA . 25010 1 330 . 1 1 30 30 SER CB C 13 63.568 0.104 . 1 . . . . 478 SER CB . 25010 1 331 . 1 1 30 30 SER N N 15 111.234 0.036 . 1 . . . . 478 SER N . 25010 1 332 . 1 1 31 31 GLU H H 1 6.8 0.004 . 1 . . . . 479 GLU H . 25010 1 333 . 1 1 31 31 GLU HA H 1 4.872 0.001 . 1 . . . . 479 GLU HA . 25010 1 334 . 1 1 31 31 GLU HB2 H 1 1.766 0.017 . 2 . . . . 479 GLU QB . 25010 1 335 . 1 1 31 31 GLU HB3 H 1 1.766 0.017 . 2 . . . . 479 GLU QB . 25010 1 336 . 1 1 31 31 GLU HG2 H 1 2.269 0.011 . 2 . . . . 479 GLU QG . 25010 1 337 . 1 1 31 31 GLU HG3 H 1 2.269 0.011 . 2 . . . . 479 GLU QG . 25010 1 338 . 1 1 31 31 GLU CA C 13 54.615 0.041 . 1 . . . . 479 GLU CA . 25010 1 339 . 1 1 31 31 GLU CB C 13 33.654 0.356 . 1 . . . . 479 GLU CB . 25010 1 340 . 1 1 31 31 GLU CG C 13 35.675 0.041 . 1 . . . . 479 GLU CG . 25010 1 341 . 1 1 31 31 GLU N N 15 116.983 0.039 . 1 . . . . 479 GLU N . 25010 1 342 . 1 1 32 32 GLU H H 1 9.243 0.002 . 1 . . . . 480 GLU H . 25010 1 343 . 1 1 32 32 GLU HA H 1 4.405 0.007 . 1 . . . . 480 GLU HA . 25010 1 344 . 1 1 32 32 GLU HB2 H 1 2.01 0 . 2 . . . . 480 GLU QB . 25010 1 345 . 1 1 32 32 GLU HB3 H 1 2.01 0 . 2 . . . . 480 GLU QB . 25010 1 346 . 1 1 32 32 GLU HG2 H 1 2.251 0 . 2 . . . . 480 GLU QG . 25010 1 347 . 1 1 32 32 GLU HG3 H 1 2.251 0 . 2 . . . . 480 GLU QG . 25010 1 348 . 1 1 32 32 GLU CA C 13 57.861 0 . 1 . . . . 480 GLU CA . 25010 1 349 . 1 1 32 32 GLU CB C 13 29.787 0 . 1 . . . . 480 GLU CB . 25010 1 350 . 1 1 32 32 GLU CG C 13 36.474 0.088 . 1 . . . . 480 GLU CG . 25010 1 351 . 1 1 32 32 GLU N N 15 124.422 0.037 . 1 . . . . 480 GLU N . 25010 1 352 . 1 1 33 33 GLY HA2 H 1 3.983 0 . 2 . . . . 481 GLY HA2 . 25010 1 353 . 1 1 33 33 GLY HA3 H 1 3.891 0.001 . 2 . . . . 481 GLY HA3 . 25010 1 354 . 1 1 33 33 GLY CA C 13 45.916 0.05 . 1 . . . . 481 GLY CA . 25010 1 355 . 1 1 34 34 ALA H H 1 7.449 0.002 . 1 . . . . 482 ALA H . 25010 1 356 . 1 1 34 34 ALA HA H 1 4.513 0 . 1 . . . . 482 ALA HA . 25010 1 357 . 1 1 34 34 ALA HB1 H 1 1.371 0.016 . 1 . . . . 482 ALA QB . 25010 1 358 . 1 1 34 34 ALA HB2 H 1 1.371 0.016 . 1 . . . . 482 ALA QB . 25010 1 359 . 1 1 34 34 ALA HB3 H 1 1.371 0.016 . 1 . . . . 482 ALA QB . 25010 1 360 . 1 1 34 34 ALA CA C 13 52.243 0 . 1 . . . . 482 ALA CA . 25010 1 361 . 1 1 34 34 ALA CB C 13 20.653 0.02 . 1 . . . . 482 ALA CB . 25010 1 362 . 1 1 34 34 ALA N N 15 121.277 0.048 . 1 . . . . 482 ALA N . 25010 1 363 . 1 1 35 35 GLN H H 1 8.541 0.025 . 1 . . . . 483 GLN H . 25010 1 364 . 1 1 35 35 GLN HA H 1 4.481 0.008 . 1 . . . . 483 GLN HA . 25010 1 365 . 1 1 35 35 GLN HB2 H 1 2.018 0.005 . 2 . . . . 483 GLN QB . 25010 1 366 . 1 1 35 35 GLN HB3 H 1 2.018 0.005 . 2 . . . . 483 GLN QB . 25010 1 367 . 1 1 35 35 GLN HG2 H 1 2.435 0 . 2 . . . . 483 GLN HG2 . 25010 1 368 . 1 1 35 35 GLN HG3 H 1 2.386 0.008 . 2 . . . . 483 GLN HG3 . 25010 1 369 . 1 1 35 35 GLN HE21 H 1 6.91 0.001 . 2 . . . . 483 GLN HE21 . 25010 1 370 . 1 1 35 35 GLN HE22 H 1 7.55 0.002 . 2 . . . . 483 GLN HE22 . 25010 1 371 . 1 1 35 35 GLN CA C 13 55.471 0.057 . 1 . . . . 483 GLN CA . 25010 1 372 . 1 1 35 35 GLN CB C 13 28.077 0 . 1 . . . . 483 GLN CB . 25010 1 373 . 1 1 35 35 GLN CG C 13 33.775 0.031 . 1 . . . . 483 GLN CG . 25010 1 374 . 1 1 35 35 GLN N N 15 121.318 0.045 . 1 . . . . 483 GLN N . 25010 1 375 . 1 1 35 35 GLN NE2 N 15 112.956 0.038 . 1 . . . . 483 GLN NE2 . 25010 1 376 . 1 1 36 36 VAL H H 1 8.283 0.003 . 1 . . . . 484 VAL H . 25010 1 377 . 1 1 36 36 VAL HA H 1 4.919 0.004 . 1 . . . . 484 VAL HA . 25010 1 378 . 1 1 36 36 VAL HB H 1 1.449 0.002 . 1 . . . . 484 VAL HB . 25010 1 379 . 1 1 36 36 VAL HG11 H 1 0.048 0.008 . 2 . . . . 484 VAL QG1 . 25010 1 380 . 1 1 36 36 VAL HG12 H 1 0.048 0.008 . 2 . . . . 484 VAL QG1 . 25010 1 381 . 1 1 36 36 VAL HG13 H 1 0.048 0.008 . 2 . . . . 484 VAL QG1 . 25010 1 382 . 1 1 36 36 VAL HG21 H 1 0.314 0.006 . 2 . . . . 484 VAL QG2 . 25010 1 383 . 1 1 36 36 VAL HG22 H 1 0.314 0.006 . 2 . . . . 484 VAL QG2 . 25010 1 384 . 1 1 36 36 VAL HG23 H 1 0.314 0.006 . 2 . . . . 484 VAL QG2 . 25010 1 385 . 1 1 36 36 VAL CA C 13 58.491 0.085 . 1 . . . . 484 VAL CA . 25010 1 386 . 1 1 36 36 VAL CB C 13 34.518 0 . 1 . . . . 484 VAL CB . 25010 1 387 . 1 1 36 36 VAL CG1 C 13 19.736 0.066 . 1 . . . . 484 VAL CG1 . 25010 1 388 . 1 1 36 36 VAL CG2 C 13 17.59 0.068 . 1 . . . . 484 VAL CG2 . 25010 1 389 . 1 1 36 36 VAL N N 15 118.395 0.041 . 1 . . . . 484 VAL N . 25010 1 390 . 1 1 37 37 LYS H H 1 8.039 0.005 . 1 . . . . 485 LYS H . 25010 1 391 . 1 1 37 37 LYS HA H 1 4.594 0.005 . 1 . . . . 485 LYS HA . 25010 1 392 . 1 1 37 37 LYS HB2 H 1 1.514 0.003 . 2 . . . . 485 LYS QB . 25010 1 393 . 1 1 37 37 LYS HB3 H 1 1.514 0.003 . 2 . . . . 485 LYS QB . 25010 1 394 . 1 1 37 37 LYS HG2 H 1 1.289 0.004 . 2 . . . . 485 LYS QG . 25010 1 395 . 1 1 37 37 LYS HG3 H 1 1.289 0.004 . 2 . . . . 485 LYS QG . 25010 1 396 . 1 1 37 37 LYS HD2 H 1 1.521 0.002 . 2 . . . . 485 LYS QD . 25010 1 397 . 1 1 37 37 LYS HD3 H 1 1.521 0.002 . 2 . . . . 485 LYS QD . 25010 1 398 . 1 1 37 37 LYS HE2 H 1 2.861 0.003 . 2 . . . . 485 LYS QE . 25010 1 399 . 1 1 37 37 LYS HE3 H 1 2.861 0.003 . 2 . . . . 485 LYS QE . 25010 1 400 . 1 1 37 37 LYS CA C 13 55.038 0.105 . 1 . . . . 485 LYS CA . 25010 1 401 . 1 1 37 37 LYS CB C 13 36.678 0.178 . 1 . . . . 485 LYS CB . 25010 1 402 . 1 1 37 37 LYS CG C 13 24.5 0.006 . 1 . . . . 485 LYS CG . 25010 1 403 . 1 1 37 37 LYS CD C 13 29.409 0.045 . 1 . . . . 485 LYS CD . 25010 1 404 . 1 1 37 37 LYS CE C 13 41.956 0 . 1 . . . . 485 LYS CE . 25010 1 405 . 1 1 37 37 LYS N N 15 119.957 0.04 . 1 . . . . 485 LYS N . 25010 1 406 . 1 1 38 38 TRP H H 1 8.767 0.003 . 1 . . . . 486 TRP H . 25010 1 407 . 1 1 38 38 TRP HA H 1 5.608 0.003 . 1 . . . . 486 TRP HA . 25010 1 408 . 1 1 38 38 TRP HB2 H 1 2.969 0.004 . 1 . . . . 486 TRP HB2 . 25010 1 409 . 1 1 38 38 TRP HB3 H 1 3.104 0.003 . 1 . . . . 486 TRP HB3 . 25010 1 410 . 1 1 38 38 TRP HD1 H 1 6.759 0.004 . 1 . . . . 486 TRP HD1 . 25010 1 411 . 1 1 38 38 TRP HE1 H 1 10.418 0.002 . 1 . . . . 486 TRP HE1 . 25010 1 412 . 1 1 38 38 TRP HE3 H 1 7.399 0.007 . 1 . . . . 486 TRP HE3 . 25010 1 413 . 1 1 38 38 TRP HZ2 H 1 7.099 0.002 . 1 . . . . 486 TRP HZ2 . 25010 1 414 . 1 1 38 38 TRP HZ3 H 1 7.407 0.002 . 1 . . . . 486 TRP HZ3 . 25010 1 415 . 1 1 38 38 TRP HH2 H 1 6.712 0.002 . 1 . . . . 486 TRP HH2 . 25010 1 416 . 1 1 38 38 TRP CA C 13 55.766 0.068 . 1 . . . . 486 TRP CA . 25010 1 417 . 1 1 38 38 TRP CB C 13 32.033 0.038 . 1 . . . . 486 TRP CB . 25010 1 418 . 1 1 38 38 TRP CD1 C 13 127.529 0 . 1 . . . . 486 TRP CD1 . 25010 1 419 . 1 1 38 38 TRP CE3 C 13 120.499 0 . 1 . . . . 486 TRP CE3 . 25010 1 420 . 1 1 38 38 TRP CZ2 C 13 114.654 0 . 1 . . . . 486 TRP CZ2 . 25010 1 421 . 1 1 38 38 TRP CZ3 C 13 121.183 0 . 1 . . . . 486 TRP CZ3 . 25010 1 422 . 1 1 38 38 TRP CH2 C 13 123.481 0 . 1 . . . . 486 TRP CH2 . 25010 1 423 . 1 1 38 38 TRP N N 15 123.677 0.047 . 1 . . . . 486 TRP N . 25010 1 424 . 1 1 38 38 TRP NE1 N 15 128.831 0.013 . 1 . . . . 486 TRP NE1 . 25010 1 425 . 1 1 39 39 LEU H H 1 9.599 0.005 . 1 . . . . 487 LEU H . 25010 1 426 . 1 1 39 39 LEU HA H 1 5.199 0.003 . 1 . . . . 487 LEU HA . 25010 1 427 . 1 1 39 39 LEU HB2 H 1 1.643 0.008 . 1 . . . . 487 LEU HB2 . 25010 1 428 . 1 1 39 39 LEU HB3 H 1 1.075 0.004 . 1 . . . . 487 LEU HB3 . 25010 1 429 . 1 1 39 39 LEU HG H 1 1.403 0.007 . 1 . . . . 487 LEU HG . 25010 1 430 . 1 1 39 39 LEU HD11 H 1 0.629 0.005 . 2 . . . . 487 LEU QD1 . 25010 1 431 . 1 1 39 39 LEU HD12 H 1 0.629 0.005 . 2 . . . . 487 LEU QD1 . 25010 1 432 . 1 1 39 39 LEU HD13 H 1 0.629 0.005 . 2 . . . . 487 LEU QD1 . 25010 1 433 . 1 1 39 39 LEU HD21 H 1 0.697 0.008 . 2 . . . . 487 LEU QD2 . 25010 1 434 . 1 1 39 39 LEU HD22 H 1 0.697 0.008 . 2 . . . . 487 LEU QD2 . 25010 1 435 . 1 1 39 39 LEU HD23 H 1 0.697 0.008 . 2 . . . . 487 LEU QD2 . 25010 1 436 . 1 1 39 39 LEU CA C 13 53.645 0.061 . 1 . . . . 487 LEU CA . 25010 1 437 . 1 1 39 39 LEU CB C 13 46.241 0.01 . 1 . . . . 487 LEU CB . 25010 1 438 . 1 1 39 39 LEU CG C 13 27.925 0.043 . 1 . . . . 487 LEU CG . 25010 1 439 . 1 1 39 39 LEU CD1 C 13 24.283 0.081 . 2 . . . . 487 LEU CD1 . 25010 1 440 . 1 1 39 39 LEU CD2 C 13 25.734 0.102 . 2 . . . . 487 LEU CD2 . 25010 1 441 . 1 1 39 39 LEU N N 15 121.292 0.043 . 1 . . . . 487 LEU N . 25010 1 442 . 1 1 40 40 LYS H H 1 8.702 0.004 . 1 . . . . 488 LYS H . 25010 1 443 . 1 1 40 40 LYS HA H 1 4.448 0.007 . 1 . . . . 488 LYS HA . 25010 1 444 . 1 1 40 40 LYS HB2 H 1 1.545 0.009 . 2 . . . . 488 LYS HB2 . 25010 1 445 . 1 1 40 40 LYS HB3 H 1 1.239 0.007 . 2 . . . . 488 LYS HB3 . 25010 1 446 . 1 1 40 40 LYS HG2 H 1 0.663 0.005 . 1 . . . . 488 LYS HG2 . 25010 1 447 . 1 1 40 40 LYS HG3 H 1 0.254 0.01 . 1 . . . . 488 LYS HG3 . 25010 1 448 . 1 1 40 40 LYS HD2 H 1 1.398 0.003 . 1 . . . . 488 LYS HD2 . 25010 1 449 . 1 1 40 40 LYS HD3 H 1 1.604 0.016 . 1 . . . . 488 LYS HD3 . 25010 1 450 . 1 1 40 40 LYS HE2 H 1 2.62 0.009 . 2 . . . . 488 LYS HE2 . 25010 1 451 . 1 1 40 40 LYS HE3 H 1 3.042 0.003 . 2 . . . . 488 LYS HE3 . 25010 1 452 . 1 1 40 40 LYS CA C 13 55.221 0.015 . 1 . . . . 488 LYS CA . 25010 1 453 . 1 1 40 40 LYS CB C 13 35.636 0.089 . 1 . . . . 488 LYS CB . 25010 1 454 . 1 1 40 40 LYS CG C 13 25.513 0.091 . 1 . . . . 488 LYS CG . 25010 1 455 . 1 1 40 40 LYS CE C 13 43.555 0.061 . 1 . . . . 488 LYS CE . 25010 1 456 . 1 1 40 40 LYS N N 15 119.097 0.036 . 1 . . . . 488 LYS N . 25010 1 457 . 1 1 41 41 ASP H H 1 9.895 0.005 . 1 . . . . 489 ASP H . 25010 1 458 . 1 1 41 41 ASP HA H 1 4.377 0.004 . 1 . . . . 489 ASP HA . 25010 1 459 . 1 1 41 41 ASP HB2 H 1 2.926 0.009 . 2 . . . . 489 ASP HB2 . 25010 1 460 . 1 1 41 41 ASP HB3 H 1 2.675 0.004 . 2 . . . . 489 ASP HB3 . 25010 1 461 . 1 1 41 41 ASP CA C 13 55.843 0.017 . 1 . . . . 489 ASP CA . 25010 1 462 . 1 1 41 41 ASP CB C 13 40.211 0.125 . 1 . . . . 489 ASP CB . 25010 1 463 . 1 1 41 41 ASP N N 15 130.255 0.041 . 1 . . . . 489 ASP N . 25010 1 464 . 1 1 42 42 GLY H H 1 8.673 0.006 . 1 . . . . 490 GLY H . 25010 1 465 . 1 1 42 42 GLY HA2 H 1 4.184 0.001 . 2 . . . . 490 GLY HA2 . 25010 1 466 . 1 1 42 42 GLY HA3 H 1 3.468 0.001 . 2 . . . . 490 GLY HA3 . 25010 1 467 . 1 1 42 42 GLY CA C 13 45.394 0 . 1 . . . . 490 GLY CA . 25010 1 468 . 1 1 42 42 GLY N N 15 101.682 0.034 . 1 . . . . 490 GLY N . 25010 1 469 . 1 1 43 43 VAL H H 1 7.954 0.005 . 1 . . . . 491 VAL H . 25010 1 470 . 1 1 43 43 VAL HA H 1 4.197 0.002 . 1 . . . . 491 VAL HA . 25010 1 471 . 1 1 43 43 VAL HB H 1 2.156 0.002 . 1 . . . . 491 VAL HB . 25010 1 472 . 1 1 43 43 VAL HG11 H 1 1.057 0.003 . 2 . . . . 491 VAL QG1 . 25010 1 473 . 1 1 43 43 VAL HG12 H 1 1.057 0.003 . 2 . . . . 491 VAL QG1 . 25010 1 474 . 1 1 43 43 VAL HG13 H 1 1.057 0.003 . 2 . . . . 491 VAL QG1 . 25010 1 475 . 1 1 43 43 VAL HG21 H 1 0.967 0.006 . 2 . . . . 491 VAL QG2 . 25010 1 476 . 1 1 43 43 VAL HG22 H 1 0.967 0.006 . 2 . . . . 491 VAL QG2 . 25010 1 477 . 1 1 43 43 VAL HG23 H 1 0.967 0.006 . 2 . . . . 491 VAL QG2 . 25010 1 478 . 1 1 43 43 VAL CA C 13 61.597 0.027 . 1 . . . . 491 VAL CA . 25010 1 479 . 1 1 43 43 VAL CB C 13 33.598 0 . 1 . . . . 491 VAL CB . 25010 1 480 . 1 1 43 43 VAL CG1 C 13 21.179 0.015 . 1 . . . . 491 VAL CG1 . 25010 1 481 . 1 1 43 43 VAL CG2 C 13 21.179 0.015 . 1 . . . . 491 VAL CG2 . 25010 1 482 . 1 1 43 43 VAL N N 15 123.371 0.027 . 1 . . . . 491 VAL N . 25010 1 483 . 1 1 44 44 GLU H H 1 8.781 0.004 . 1 . . . . 492 GLU H . 25010 1 484 . 1 1 44 44 GLU HA H 1 4.41 0.013 . 1 . . . . 492 GLU HA . 25010 1 485 . 1 1 44 44 GLU HB2 H 1 1.94 0.004 . 2 . . . . 492 GLU QB . 25010 1 486 . 1 1 44 44 GLU HB3 H 1 1.94 0.004 . 2 . . . . 492 GLU QB . 25010 1 487 . 1 1 44 44 GLU HG2 H 1 2.318 0.002 . 2 . . . . 492 GLU QG . 25010 1 488 . 1 1 44 44 GLU HG3 H 1 2.318 0.002 . 2 . . . . 492 GLU QG . 25010 1 489 . 1 1 44 44 GLU CA C 13 57.649 0.044 . 1 . . . . 492 GLU CA . 25010 1 490 . 1 1 44 44 GLU CB C 13 29.242 0.006 . 1 . . . . 492 GLU CB . 25010 1 491 . 1 1 44 44 GLU CG C 13 36.396 0.038 . 1 . . . . 492 GLU CG . 25010 1 492 . 1 1 44 44 GLU N N 15 127.934 0.039 . 1 . . . . 492 GLU N . 25010 1 493 . 1 1 45 45 LEU H H 1 8.934 0.002 . 1 . . . . 493 LEU H . 25010 1 494 . 1 1 45 45 LEU HA H 1 4.591 0.006 . 1 . . . . 493 LEU HA . 25010 1 495 . 1 1 45 45 LEU HB2 H 1 1.841 0.007 . 2 . . . . 493 LEU HB2 . 25010 1 496 . 1 1 45 45 LEU HB3 H 1 1.445 0.003 . 2 . . . . 493 LEU HB3 . 25010 1 497 . 1 1 45 45 LEU HG H 1 1.608 0.014 . 1 . . . . 493 LEU HG . 25010 1 498 . 1 1 45 45 LEU HD11 H 1 0.569 0.004 . 2 . . . . 493 LEU QD1 . 25010 1 499 . 1 1 45 45 LEU HD12 H 1 0.569 0.004 . 2 . . . . 493 LEU QD1 . 25010 1 500 . 1 1 45 45 LEU HD13 H 1 0.569 0.004 . 2 . . . . 493 LEU QD1 . 25010 1 501 . 1 1 45 45 LEU HD21 H 1 0.734 0.003 . 2 . . . . 493 LEU QD2 . 25010 1 502 . 1 1 45 45 LEU HD22 H 1 0.734 0.003 . 2 . . . . 493 LEU QD2 . 25010 1 503 . 1 1 45 45 LEU HD23 H 1 0.734 0.003 . 2 . . . . 493 LEU QD2 . 25010 1 504 . 1 1 45 45 LEU CA C 13 54.628 0.158 . 1 . . . . 493 LEU CA . 25010 1 505 . 1 1 45 45 LEU CB C 13 41.823 0.04 . 1 . . . . 493 LEU CB . 25010 1 506 . 1 1 45 45 LEU CG C 13 26.678 0.132 . 1 . . . . 493 LEU CG . 25010 1 507 . 1 1 45 45 LEU CD1 C 13 21.895 0.35 . 2 . . . . 493 LEU CD1 . 25010 1 508 . 1 1 45 45 LEU CD2 C 13 25.744 0.026 . 2 . . . . 493 LEU CD2 . 25010 1 509 . 1 1 45 45 LEU N N 15 127.787 0.047 . 1 . . . . 493 LEU N . 25010 1 510 . 1 1 46 46 THR H H 1 8.338 0.002 . 1 . . . . 494 THR H . 25010 1 511 . 1 1 46 46 THR HA H 1 4.238 0 . 1 . . . . 494 THR HA . 25010 1 512 . 1 1 46 46 THR HG21 H 1 1.374 0 . 1 . . . . 494 THR QG2 . 25010 1 513 . 1 1 46 46 THR HG22 H 1 1.374 0 . 1 . . . . 494 THR QG2 . 25010 1 514 . 1 1 46 46 THR HG23 H 1 1.374 0 . 1 . . . . 494 THR QG2 . 25010 1 515 . 1 1 46 46 THR CA C 13 61.209 0.15 . 1 . . . . 494 THR CA . 25010 1 516 . 1 1 46 46 THR CB C 13 70.42 0.197 . 1 . . . . 494 THR CB . 25010 1 517 . 1 1 46 46 THR CG2 C 13 21.561 0.017 . 1 . . . . 494 THR CG2 . 25010 1 518 . 1 1 46 46 THR N N 15 114.564 0.043 . 1 . . . . 494 THR N . 25010 1 519 . 1 1 47 47 ARG H H 1 8.58 0.021 . 1 . . . . 495 ARG H . 25010 1 520 . 1 1 47 47 ARG HA H 1 4.421 0.008 . 1 . . . . 495 ARG HA . 25010 1 521 . 1 1 47 47 ARG HB2 H 1 2.003 0.002 . 2 . . . . 495 ARG HB2 . 25010 1 522 . 1 1 47 47 ARG HB3 H 1 1.845 0.006 . 2 . . . . 495 ARG HB3 . 25010 1 523 . 1 1 47 47 ARG HG2 H 1 1.705 0 . 2 . . . . 495 ARG HG2 . 25010 1 524 . 1 1 47 47 ARG HG3 H 1 1.62 0 . 2 . . . . 495 ARG HG3 . 25010 1 525 . 1 1 47 47 ARG HD2 H 1 3.206 0.004 . 2 . . . . 495 ARG QD . 25010 1 526 . 1 1 47 47 ARG HD3 H 1 3.206 0.004 . 2 . . . . 495 ARG QD . 25010 1 527 . 1 1 47 47 ARG CA C 13 56.805 0.011 . 1 . . . . 495 ARG CA . 25010 1 528 . 1 1 47 47 ARG CB C 13 30.014 0.242 . 1 . . . . 495 ARG CB . 25010 1 529 . 1 1 47 47 ARG CG C 13 27.276 0.096 . 1 . . . . 495 ARG CG . 25010 1 530 . 1 1 47 47 ARG CD C 13 43.308 0.003 . 1 . . . . 495 ARG CD . 25010 1 531 . 1 1 47 47 ARG N N 15 121.286 0.052 . 1 . . . . 495 ARG N . 25010 1 532 . 1 1 48 48 GLU H H 1 8.304 0.003 . 1 . . . . 496 GLU H . 25010 1 533 . 1 1 48 48 GLU HA H 1 4.341 0 . 1 . . . . 496 GLU HA . 25010 1 534 . 1 1 48 48 GLU HB2 H 1 2.195 0.008 . 2 . . . . 496 GLU HB2 . 25010 1 535 . 1 1 48 48 GLU HB3 H 1 2.015 0.002 . 2 . . . . 496 GLU HB3 . 25010 1 536 . 1 1 48 48 GLU HG2 H 1 2.352 0.002 . 2 . . . . 496 GLU QG . 25010 1 537 . 1 1 48 48 GLU HG3 H 1 2.352 0.002 . 2 . . . . 496 GLU QG . 25010 1 538 . 1 1 48 48 GLU CA C 13 57.093 0.033 . 1 . . . . 496 GLU CA . 25010 1 539 . 1 1 48 48 GLU CB C 13 29.927 0.741 . 1 . . . . 496 GLU CB . 25010 1 540 . 1 1 48 48 GLU CG C 13 36.496 0.009 . 1 . . . . 496 GLU CG . 25010 1 541 . 1 1 48 48 GLU N N 15 120.07 0.04 . 1 . . . . 496 GLU N . 25010 1 542 . 1 1 49 49 GLU H H 1 8.181 0.001 . 1 . . . . 497 GLU H . 25010 1 543 . 1 1 49 49 GLU HA H 1 4.39 0.005 . 1 . . . . 497 GLU HA . 25010 1 544 . 1 1 49 49 GLU HB2 H 1 2.05 0.005 . 2 . . . . 497 GLU QB . 25010 1 545 . 1 1 49 49 GLU HB3 H 1 2.05 0.005 . 2 . . . . 497 GLU QB . 25010 1 546 . 1 1 49 49 GLU HG2 H 1 2.242 0.008 . 2 . . . . 497 GLU HG2 . 25010 1 547 . 1 1 49 49 GLU HG3 H 1 2.194 0 . 2 . . . . 497 GLU HG3 . 25010 1 548 . 1 1 49 49 GLU CA C 13 56.781 0.071 . 1 . . . . 497 GLU CA . 25010 1 549 . 1 1 49 49 GLU CB C 13 29.722 0 . 1 . . . . 497 GLU CB . 25010 1 550 . 1 1 49 49 GLU CG C 13 36.523 0.001 . 1 . . . . 497 GLU CG . 25010 1 551 . 1 1 49 49 GLU N N 15 120.611 0.03 . 1 . . . . 497 GLU N . 25010 1 552 . 1 1 50 50 THR H H 1 8.077 0.003 . 1 . . . . 498 THR H . 25010 1 553 . 1 1 50 50 THR HA H 1 4.519 0.007 . 1 . . . . 498 THR HA . 25010 1 554 . 1 1 50 50 THR HB H 1 4.312 0.002 . 1 . . . . 498 THR HB . 25010 1 555 . 1 1 50 50 THR HG21 H 1 1.198 0.005 . 1 . . . . 498 THR QG2 . 25010 1 556 . 1 1 50 50 THR HG22 H 1 1.198 0.005 . 1 . . . . 498 THR QG2 . 25010 1 557 . 1 1 50 50 THR HG23 H 1 1.198 0.005 . 1 . . . . 498 THR QG2 . 25010 1 558 . 1 1 50 50 THR CA C 13 61.768 0.026 . 1 . . . . 498 THR CA . 25010 1 559 . 1 1 50 50 THR CB C 13 69.893 0.011 . 1 . . . . 498 THR CB . 25010 1 560 . 1 1 50 50 THR CG2 C 13 21.595 0.18 . 1 . . . . 498 THR CG2 . 25010 1 561 . 1 1 50 50 THR N N 15 113.761 0.025 . 1 . . . . 498 THR N . 25010 1 562 . 1 1 51 51 PHE H H 1 8.089 0.002 . 1 . . . . 499 PHE H . 25010 1 563 . 1 1 51 51 PHE HA H 1 4.571 0.01 . 1 . . . . 499 PHE HA . 25010 1 564 . 1 1 51 51 PHE HB2 H 1 3.214 0 . 1 . . . . 499 PHE HB2 . 25010 1 565 . 1 1 51 51 PHE HB3 H 1 3.148 0.003 . 1 . . . . 499 PHE HB3 . 25010 1 566 . 1 1 51 51 PHE HD1 H 1 7.273 0.001 . 3 . . . . 499 PHE HD1 . 25010 1 567 . 1 1 51 51 PHE HD2 H 1 7.267 0.002 . 3 . . . . 499 PHE HD2 . 25010 1 568 . 1 1 51 51 PHE HE1 H 1 7.361 0.032 . 3 . . . . 499 PHE HE1 . 25010 1 569 . 1 1 51 51 PHE HE2 H 1 7.367 0.028 . 3 . . . . 499 PHE HE2 . 25010 1 570 . 1 1 51 51 PHE CA C 13 58.469 0.057 . 1 . . . . 499 PHE CA . 25010 1 571 . 1 1 51 51 PHE CB C 13 38.648 0.009 . 1 . . . . 499 PHE CB . 25010 1 572 . 1 1 51 51 PHE CD1 C 13 131.941 0 . 1 . . . . 499 PHE CD1 . 25010 1 573 . 1 1 51 51 PHE CD2 C 13 131.941 0 . 1 . . . . 499 PHE CD2 . 25010 1 574 . 1 1 51 51 PHE CE1 C 13 129.988 0 . 1 . . . . 499 PHE CE1 . 25010 1 575 . 1 1 51 51 PHE CE2 C 13 129.988 0 . 1 . . . . 499 PHE CE2 . 25010 1 576 . 1 1 51 51 PHE N N 15 119.315 0.03 . 1 . . . . 499 PHE N . 25010 1 577 . 1 1 52 52 LYS H H 1 8.1 0.002 . 1 . . . . 500 LYS H . 25010 1 578 . 1 1 52 52 LYS HA H 1 4.146 0.001 . 1 . . . . 500 LYS HA . 25010 1 579 . 1 1 52 52 LYS HB2 H 1 1.628 0.003 . 2 . . . . 500 LYS QB . 25010 1 580 . 1 1 52 52 LYS HB3 H 1 1.628 0.003 . 2 . . . . 500 LYS QB . 25010 1 581 . 1 1 52 52 LYS HG2 H 1 1.034 0.004 . 2 . . . . 500 LYS QG . 25010 1 582 . 1 1 52 52 LYS HG3 H 1 1.034 0.004 . 2 . . . . 500 LYS QG . 25010 1 583 . 1 1 52 52 LYS HD2 H 1 1.458 0.005 . 2 . . . . 500 LYS QD . 25010 1 584 . 1 1 52 52 LYS HD3 H 1 1.458 0.005 . 2 . . . . 500 LYS QD . 25010 1 585 . 1 1 52 52 LYS HE2 H 1 2.862 0.004 . 2 . . . . 500 LYS HE2 . 25010 1 586 . 1 1 52 52 LYS HE3 H 1 3.003 0.001 . 2 . . . . 500 LYS HE3 . 25010 1 587 . 1 1 52 52 LYS CA C 13 57.814 0.051 . 1 . . . . 500 LYS CA . 25010 1 588 . 1 1 52 52 LYS CB C 13 33.603 0.094 . 1 . . . . 500 LYS CB . 25010 1 589 . 1 1 52 52 LYS CG C 13 24.25 0.055 . 1 . . . . 500 LYS CG . 25010 1 590 . 1 1 52 52 LYS CD C 13 28.586 0.043 . 1 . . . . 500 LYS CD . 25010 1 591 . 1 1 52 52 LYS CE C 13 41.665 0.168 . 1 . . . . 500 LYS CE . 25010 1 592 . 1 1 52 52 LYS N N 15 120.851 0.044 . 1 . . . . 500 LYS N . 25010 1 593 . 1 1 53 53 TYR H H 1 7.259 0.003 . 1 . . . . 501 TYR H . 25010 1 594 . 1 1 53 53 TYR HA H 1 4.782 0.007 . 1 . . . . 501 TYR HA . 25010 1 595 . 1 1 53 53 TYR HB2 H 1 3.234 0.003 . 2 . . . . 501 TYR QB . 25010 1 596 . 1 1 53 53 TYR HB3 H 1 3.234 0.003 . 2 . . . . 501 TYR QB . 25010 1 597 . 1 1 53 53 TYR HD1 H 1 6.866 0.009 . 1 . . . . 501 TYR HD1 . 25010 1 598 . 1 1 53 53 TYR HD2 H 1 6.866 0.009 . 1 . . . . 501 TYR HD2 . 25010 1 599 . 1 1 53 53 TYR HE1 H 1 6.693 0 . 3 . . . . 501 TYR HE1 . 25010 1 600 . 1 1 53 53 TYR HE2 H 1 6.694 0 . 3 . . . . 501 TYR HE2 . 25010 1 601 . 1 1 53 53 TYR CA C 13 55.002 0 . 1 . . . . 501 TYR CA . 25010 1 602 . 1 1 53 53 TYR CB C 13 41.643 0 . 1 . . . . 501 TYR CB . 25010 1 603 . 1 1 53 53 TYR CD1 C 13 133.284 0 . 1 . . . . 501 TYR CD1 . 25010 1 604 . 1 1 53 53 TYR CD2 C 13 133.284 0 . 1 . . . . 501 TYR CD2 . 25010 1 605 . 1 1 53 53 TYR CE1 C 13 116.85 0 . 3 . . . . 501 TYR CE1 . 25010 1 606 . 1 1 53 53 TYR CE2 C 13 116.923 0 . 3 . . . . 501 TYR CE2 . 25010 1 607 . 1 1 53 53 TYR N N 15 114.551 0.04 . 1 . . . . 501 TYR N . 25010 1 608 . 1 1 54 54 TRP H H 1 8.399 0.003 . 1 . . . . 502 TRP H . 25010 1 609 . 1 1 54 54 TRP HA H 1 5.351 0.001 . 1 . . . . 502 TRP HA . 25010 1 610 . 1 1 54 54 TRP HB2 H 1 2.641 0.009 . 2 . . . . 502 TRP HB2 . 25010 1 611 . 1 1 54 54 TRP HB3 H 1 2.542 0.001 . 2 . . . . 502 TRP HB3 . 25010 1 612 . 1 1 54 54 TRP HD1 H 1 7.025 0.002 . 1 . . . . 502 TRP HD1 . 25010 1 613 . 1 1 54 54 TRP HE1 H 1 10.016 0.002 . 1 . . . . 502 TRP HE1 . 25010 1 614 . 1 1 54 54 TRP HZ2 H 1 7.463 0.014 . 1 . . . . 502 TRP HZ2 . 25010 1 615 . 1 1 54 54 TRP HH2 H 1 7.14 0.003 . 1 . . . . 502 TRP HH2 . 25010 1 616 . 1 1 54 54 TRP CA C 13 55.377 0.022 . 1 . . . . 502 TRP CA . 25010 1 617 . 1 1 54 54 TRP CB C 13 30.599 0.029 . 1 . . . . 502 TRP CB . 25010 1 618 . 1 1 54 54 TRP CD1 C 13 126.804 0 . 1 . . . . 502 TRP CD1 . 25010 1 619 . 1 1 54 54 TRP CZ2 C 13 114.477 0.034 . 1 . . . . 502 TRP CZ2 . 25010 1 620 . 1 1 54 54 TRP CH2 C 13 124.173 0.004 . 1 . . . . 502 TRP CH2 . 25010 1 621 . 1 1 54 54 TRP N N 15 119.304 0.041 . 1 . . . . 502 TRP N . 25010 1 622 . 1 1 54 54 TRP NE1 N 15 129.585 0.012 . 1 . . . . 502 TRP NE1 . 25010 1 623 . 1 1 55 55 PHE H H 1 8.84 0.002 . 1 . . . . 503 PHE H . 25010 1 624 . 1 1 55 55 PHE HA H 1 5.382 0.002 . 1 . . . . 503 PHE HA . 25010 1 625 . 1 1 55 55 PHE HB2 H 1 3.224 0.003 . 2 . . . . 503 PHE HB2 . 25010 1 626 . 1 1 55 55 PHE HB3 H 1 3.003 0.002 . 2 . . . . 503 PHE HB3 . 25010 1 627 . 1 1 55 55 PHE HD1 H 1 7.039 0 . 3 . . . . 503 PHE HD1 . 25010 1 628 . 1 1 55 55 PHE HD2 H 1 7.049 0.001 . 3 . . . . 503 PHE HD2 . 25010 1 629 . 1 1 55 55 PHE HE1 H 1 7.103 0.004 . 3 . . . . 503 PHE HE1 . 25010 1 630 . 1 1 55 55 PHE HE2 H 1 6.913 0 . 3 . . . . 503 PHE HE2 . 25010 1 631 . 1 1 55 55 PHE CA C 13 54.961 0.146 . 1 . . . . 503 PHE CA . 25010 1 632 . 1 1 55 55 PHE CB C 13 41.607 0.079 . 1 . . . . 503 PHE CB . 25010 1 633 . 1 1 55 55 PHE CD1 C 13 131.341 0 . 1 . . . . 503 PHE CD1 . 25010 1 634 . 1 1 55 55 PHE CD2 C 13 131.341 0 . 1 . . . . 503 PHE CD2 . 25010 1 635 . 1 1 55 55 PHE CE1 C 13 132.294 0 . 1 . . . . 503 PHE CE1 . 25010 1 636 . 1 1 55 55 PHE CE2 C 13 132.294 0 . 1 . . . . 503 PHE CE2 . 25010 1 637 . 1 1 55 55 PHE N N 15 119.216 0.037 . 1 . . . . 503 PHE N . 25010 1 638 . 1 1 56 56 LYS H H 1 8.87 0.003 . 1 . . . . 504 LYS H . 25010 1 639 . 1 1 56 56 LYS HA H 1 4.887 0.002 . 1 . . . . 504 LYS HA . 25010 1 640 . 1 1 56 56 LYS HB2 H 1 1.513 0.009 . 2 . . . . 504 LYS HB2 . 25010 1 641 . 1 1 56 56 LYS HB3 H 1 1.672 0.008 . 2 . . . . 504 LYS HB3 . 25010 1 642 . 1 1 56 56 LYS HG2 H 1 1.164 0.002 . 2 . . . . 504 LYS HG2 . 25010 1 643 . 1 1 56 56 LYS HG3 H 1 1.23 0.009 . 2 . . . . 504 LYS HG3 . 25010 1 644 . 1 1 56 56 LYS HD2 H 1 1.263 0.022 . 2 . . . . 504 LYS QD . 25010 1 645 . 1 1 56 56 LYS HD3 H 1 1.263 0.022 . 2 . . . . 504 LYS QD . 25010 1 646 . 1 1 56 56 LYS HE2 H 1 2.449 0.005 . 2 . . . . 504 LYS QE . 25010 1 647 . 1 1 56 56 LYS HE3 H 1 2.449 0.005 . 2 . . . . 504 LYS QE . 25010 1 648 . 1 1 56 56 LYS CA C 13 55.586 0.274 . 1 . . . . 504 LYS CA . 25010 1 649 . 1 1 56 56 LYS CB C 13 36.415 0.065 . 1 . . . . 504 LYS CB . 25010 1 650 . 1 1 56 56 LYS CG C 13 24.825 0.033 . 1 . . . . 504 LYS CG . 25010 1 651 . 1 1 56 56 LYS CD C 13 29.159 0.109 . 1 . . . . 504 LYS CD . 25010 1 652 . 1 1 56 56 LYS CE C 13 41.429 0.051 . 1 . . . . 504 LYS CE . 25010 1 653 . 1 1 56 56 LYS N N 15 120.145 0.054 . 1 . . . . 504 LYS N . 25010 1 654 . 1 1 57 57 LYS H H 1 8.838 0.002 . 1 . . . . 505 LYS H . 25010 1 655 . 1 1 57 57 LYS HA H 1 4.901 0.012 . 1 . . . . 505 LYS HA . 25010 1 656 . 1 1 57 57 LYS HB2 H 1 1.852 0 . 2 . . . . 505 LYS HB2 . 25010 1 657 . 1 1 57 57 LYS HB3 H 1 1.719 0 . 2 . . . . 505 LYS HB3 . 25010 1 658 . 1 1 57 57 LYS HG2 H 1 1.252 0.004 . 2 . . . . 505 LYS QG . 25010 1 659 . 1 1 57 57 LYS HG3 H 1 1.252 0.004 . 2 . . . . 505 LYS QG . 25010 1 660 . 1 1 57 57 LYS HD2 H 1 1.449 0.001 . 2 . . . . 505 LYS QD . 25010 1 661 . 1 1 57 57 LYS HD3 H 1 1.449 0.001 . 2 . . . . 505 LYS QD . 25010 1 662 . 1 1 57 57 LYS HE2 H 1 3.207 0 . 2 . . . . 505 LYS QE . 25010 1 663 . 1 1 57 57 LYS HE3 H 1 3.207 0 . 2 . . . . 505 LYS QE . 25010 1 664 . 1 1 57 57 LYS CA C 13 55.352 0.017 . 1 . . . . 505 LYS CA . 25010 1 665 . 1 1 57 57 LYS CB C 13 34.907 0.041 . 1 . . . . 505 LYS CB . 25010 1 666 . 1 1 57 57 LYS CG C 13 24.212 0.099 . 1 . . . . 505 LYS CG . 25010 1 667 . 1 1 57 57 LYS CD C 13 29.767 0.023 . 1 . . . . 505 LYS CD . 25010 1 668 . 1 1 57 57 LYS CE C 13 42.199 0.252 . 1 . . . . 505 LYS CE . 25010 1 669 . 1 1 57 57 LYS N N 15 126.17 0.026 . 1 . . . . 505 LYS N . 25010 1 670 . 1 1 58 58 ASP H H 1 8.947 0.003 . 1 . . . . 506 ASP H . 25010 1 671 . 1 1 58 58 ASP HA H 1 4.839 0 . 1 . . . . 506 ASP HA . 25010 1 672 . 1 1 58 58 ASP HB2 H 1 2.791 0.004 . 2 . . . . 506 ASP HB2 . 25010 1 673 . 1 1 58 58 ASP HB3 H 1 2.454 0.002 . 2 . . . . 506 ASP HB3 . 25010 1 674 . 1 1 58 58 ASP CA C 13 52.564 0.008 . 1 . . . . 506 ASP CA . 25010 1 675 . 1 1 58 58 ASP CB C 13 41.961 0.009 . 1 . . . . 506 ASP CB . 25010 1 676 . 1 1 58 58 ASP N N 15 125.883 0.038 . 1 . . . . 506 ASP N . 25010 1 677 . 1 1 59 59 GLY H H 1 9.004 0.003 . 1 . . . . 507 GLY H . 25010 1 678 . 1 1 59 59 GLY HA2 H 1 4.145 0.005 . 2 . . . . 507 GLY HA2 . 25010 1 679 . 1 1 59 59 GLY HA3 H 1 3.72 0.005 . 2 . . . . 507 GLY HA3 . 25010 1 680 . 1 1 59 59 GLY CA C 13 47.615 0.064 . 1 . . . . 507 GLY CA . 25010 1 681 . 1 1 59 59 GLY N N 15 114.432 0.05 . 1 . . . . 507 GLY N . 25010 1 682 . 1 1 60 60 GLN H H 1 9.448 0.002 . 1 . . . . 508 GLN H . 25010 1 683 . 1 1 60 60 GLN HA H 1 4.119 0.006 . 1 . . . . 508 GLN HA . 25010 1 684 . 1 1 60 60 GLN HB2 H 1 2.062 0.008 . 1 . . . . 508 GLN HB2 . 25010 1 685 . 1 1 60 60 GLN HB3 H 1 2.242 0.004 . 1 . . . . 508 GLN HB3 . 25010 1 686 . 1 1 60 60 GLN HG2 H 1 2.976 0.007 . 2 . . . . 508 GLN QG . 25010 1 687 . 1 1 60 60 GLN HG3 H 1 2.976 0.007 . 2 . . . . 508 GLN QG . 25010 1 688 . 1 1 60 60 GLN HE21 H 1 7.724 0.001 . 1 . . . . 508 GLN HE21 . 25010 1 689 . 1 1 60 60 GLN HE22 H 1 6.844 0.001 . 1 . . . . 508 GLN HE22 . 25010 1 690 . 1 1 60 60 GLN CA C 13 57.237 0.025 . 1 . . . . 508 GLN CA . 25010 1 691 . 1 1 60 60 GLN CB C 13 29.867 0.038 . 1 . . . . 508 GLN CB . 25010 1 692 . 1 1 60 60 GLN CG C 13 36.09 0.019 . 1 . . . . 508 GLN CG . 25010 1 693 . 1 1 60 60 GLN N N 15 128.557 0.052 . 1 . . . . 508 GLN N . 25010 1 694 . 1 1 60 60 GLN NE2 N 15 110.509 0.015 . 1 . . . . 508 GLN NE2 . 25010 1 695 . 1 1 61 61 ARG H H 1 8.215 0.004 . 1 . . . . 509 ARG H . 25010 1 696 . 1 1 61 61 ARG HA H 1 4.986 0.004 . 1 . . . . 509 ARG HA . 25010 1 697 . 1 1 61 61 ARG HB2 H 1 2.134 0.004 . 2 . . . . 509 ARG HB2 . 25010 1 698 . 1 1 61 61 ARG HB3 H 1 1.978 0.009 . 2 . . . . 509 ARG HB3 . 25010 1 699 . 1 1 61 61 ARG HG2 H 1 1.736 0.003 . 2 . . . . 509 ARG HG2 . 25010 1 700 . 1 1 61 61 ARG HG3 H 1 1.555 0.001 . 2 . . . . 509 ARG HG3 . 25010 1 701 . 1 1 61 61 ARG HD2 H 1 3.312 0.005 . 2 . . . . 509 ARG QD . 25010 1 702 . 1 1 61 61 ARG HD3 H 1 3.312 0.005 . 2 . . . . 509 ARG QD . 25010 1 703 . 1 1 61 61 ARG HE H 1 7.59 0 . 1 . . . . 509 ARG HE . 25010 1 704 . 1 1 61 61 ARG CA C 13 56.146 0 . 1 . . . . 509 ARG CA . 25010 1 705 . 1 1 61 61 ARG CB C 13 32.012 0.062 . 1 . . . . 509 ARG CB . 25010 1 706 . 1 1 61 61 ARG CG C 13 28.014 0.095 . 1 . . . . 509 ARG CG . 25010 1 707 . 1 1 61 61 ARG CD C 13 43.514 0.047 . 1 . . . . 509 ARG CD . 25010 1 708 . 1 1 61 61 ARG N N 15 120.332 0.04 . 1 . . . . 509 ARG N . 25010 1 709 . 1 1 61 61 ARG NE N 15 85.183 0 . 1 . . . . 509 ARG NE . 25010 1 710 . 1 1 62 62 HIS H H 1 8.786 0.004 . 1 . . . . 510 HIS H . 25010 1 711 . 1 1 62 62 HIS HA H 1 5.136 0.005 . 1 . . . . 510 HIS HA . 25010 1 712 . 1 1 62 62 HIS HB2 H 1 2.714 0.005 . 1 . . . . 510 HIS HB2 . 25010 1 713 . 1 1 62 62 HIS HB3 H 1 3.4 0.007 . 1 . . . . 510 HIS HB3 . 25010 1 714 . 1 1 62 62 HIS HD2 H 1 6.808 0.002 . 1 . . . . 510 HIS HD2 . 25010 1 715 . 1 1 62 62 HIS HE1 H 1 7.705 0 . 1 . . . . 510 HIS HE1 . 25010 1 716 . 1 1 62 62 HIS CA C 13 56.449 0.059 . 1 . . . . 510 HIS CA . 25010 1 717 . 1 1 62 62 HIS CB C 13 35.29 0.077 . 1 . . . . 510 HIS CB . 25010 1 718 . 1 1 62 62 HIS CD2 C 13 116.778 0 . 1 . . . . 510 HIS CD2 . 25010 1 719 . 1 1 62 62 HIS CE1 C 13 137.94 0 . 1 . . . . 510 HIS CE1 . 25010 1 720 . 1 1 62 62 HIS N N 15 122.773 0.041 . 1 . . . . 510 HIS N . 25010 1 721 . 1 1 63 63 HIS H H 1 9.269 0.004 . 1 . . . . 511 HIS H . 25010 1 722 . 1 1 63 63 HIS HA H 1 6.075 0.002 . 1 . . . . 511 HIS HA . 25010 1 723 . 1 1 63 63 HIS HB2 H 1 2.844 0.005 . 1 . . . . 511 HIS HB2 . 25010 1 724 . 1 1 63 63 HIS HB3 H 1 3.027 0.006 . 1 . . . . 511 HIS HB3 . 25010 1 725 . 1 1 63 63 HIS HD2 H 1 6.636 0.002 . 1 . . . . 511 HIS HD2 . 25010 1 726 . 1 1 63 63 HIS HE1 H 1 7.73 0 . 1 . . . . 511 HIS HE1 . 25010 1 727 . 1 1 63 63 HIS CA C 13 53.818 0.042 . 1 . . . . 511 HIS CA . 25010 1 728 . 1 1 63 63 HIS CB C 13 33.422 0.039 . 1 . . . . 511 HIS CB . 25010 1 729 . 1 1 63 63 HIS CD2 C 13 123.751 0 . 1 . . . . 511 HIS CD2 . 25010 1 730 . 1 1 63 63 HIS CE1 C 13 138.255 0 . 1 . . . . 511 HIS CE1 . 25010 1 731 . 1 1 63 63 HIS N N 15 119.128 0.04 . 1 . . . . 511 HIS N . 25010 1 732 . 1 1 64 64 LEU H H 1 8.345 0.002 . 1 . . . . 512 LEU H . 25010 1 733 . 1 1 64 64 LEU HA H 1 4.384 0.005 . 1 . . . . 512 LEU HA . 25010 1 734 . 1 1 64 64 LEU HB2 H 1 -0.797 0.008 . 1 . . . . 512 LEU HB2 . 25010 1 735 . 1 1 64 64 LEU HB3 H 1 0.642 0.012 . 1 . . . . 512 LEU HB3 . 25010 1 736 . 1 1 64 64 LEU HG H 1 0.845 0.008 . 1 . . . . 512 LEU HG . 25010 1 737 . 1 1 64 64 LEU HD11 H 1 0.101 0.008 . 2 . . . . 512 LEU QD1 . 25010 1 738 . 1 1 64 64 LEU HD12 H 1 0.101 0.008 . 2 . . . . 512 LEU QD1 . 25010 1 739 . 1 1 64 64 LEU HD13 H 1 0.101 0.008 . 2 . . . . 512 LEU QD1 . 25010 1 740 . 1 1 64 64 LEU HD21 H 1 0.325 0.008 . 2 . . . . 512 LEU QD2 . 25010 1 741 . 1 1 64 64 LEU HD22 H 1 0.325 0.008 . 2 . . . . 512 LEU QD2 . 25010 1 742 . 1 1 64 64 LEU HD23 H 1 0.325 0.008 . 2 . . . . 512 LEU QD2 . 25010 1 743 . 1 1 64 64 LEU CA C 13 54.196 0 . 1 . . . . 512 LEU CA . 25010 1 744 . 1 1 64 64 LEU CB C 13 42.275 0.052 . 1 . . . . 512 LEU CB . 25010 1 745 . 1 1 64 64 LEU CG C 13 27.653 0 . 1 . . . . 512 LEU CG . 25010 1 746 . 1 1 64 64 LEU CD1 C 13 23.962 0.092 . 1 . . . . 512 LEU CD1 . 25010 1 747 . 1 1 64 64 LEU CD2 C 13 26.315 0.122 . 1 . . . . 512 LEU CD2 . 25010 1 748 . 1 1 64 64 LEU N N 15 125.504 0.051 . 1 . . . . 512 LEU N . 25010 1 749 . 1 1 65 65 ILE H H 1 8.776 0.003 . 1 . . . . 513 ILE H . 25010 1 750 . 1 1 65 65 ILE HA H 1 4.907 0.002 . 1 . . . . 513 ILE HA . 25010 1 751 . 1 1 65 65 ILE HB H 1 0.843 0 . 1 . . . . 513 ILE HB . 25010 1 752 . 1 1 65 65 ILE HG12 H 1 0.904 0.002 . 1 . . . . 513 ILE HG12 . 25010 1 753 . 1 1 65 65 ILE HG13 H 1 1.054 0.005 . 1 . . . . 513 ILE HG13 . 25010 1 754 . 1 1 65 65 ILE HG21 H 1 0.593 0.003 . 1 . . . . 513 ILE QG2 . 25010 1 755 . 1 1 65 65 ILE HG22 H 1 0.593 0.003 . 1 . . . . 513 ILE QG2 . 25010 1 756 . 1 1 65 65 ILE HG23 H 1 0.593 0.003 . 1 . . . . 513 ILE QG2 . 25010 1 757 . 1 1 65 65 ILE HD11 H 1 0.353 0.005 . 1 . . . . 513 ILE QD1 . 25010 1 758 . 1 1 65 65 ILE HD12 H 1 0.353 0.005 . 1 . . . . 513 ILE QD1 . 25010 1 759 . 1 1 65 65 ILE HD13 H 1 0.353 0.005 . 1 . . . . 513 ILE QD1 . 25010 1 760 . 1 1 65 65 ILE CA C 13 59.524 0.005 . 1 . . . . 513 ILE CA . 25010 1 761 . 1 1 65 65 ILE CB C 13 40.044 0 . 1 . . . . 513 ILE CB . 25010 1 762 . 1 1 65 65 ILE CG1 C 13 29.54 0.224 . 1 . . . . 513 ILE CG1 . 25010 1 763 . 1 1 65 65 ILE CG2 C 13 18.704 0.058 . 1 . . . . 513 ILE CG2 . 25010 1 764 . 1 1 65 65 ILE CD1 C 13 14.707 0.081 . 1 . . . . 513 ILE CD1 . 25010 1 765 . 1 1 65 65 ILE N N 15 127.867 0.052 . 1 . . . . 513 ILE N . 25010 1 766 . 1 1 66 66 ILE H H 1 8.777 0.003 . 1 . . . . 514 ILE H . 25010 1 767 . 1 1 66 66 ILE HA H 1 4.354 0.005 . 1 . . . . 514 ILE HA . 25010 1 768 . 1 1 66 66 ILE HB H 1 1.559 0.005 . 1 . . . . 514 ILE HB . 25010 1 769 . 1 1 66 66 ILE HG12 H 1 1.39 0 . 2 . . . . 514 ILE HG12 . 25010 1 770 . 1 1 66 66 ILE HG13 H 1 0.899 0.007 . 2 . . . . 514 ILE HG13 . 25010 1 771 . 1 1 66 66 ILE HG21 H 1 0.751 0.002 . 1 . . . . 514 ILE QG2 . 25010 1 772 . 1 1 66 66 ILE HG22 H 1 0.751 0.002 . 1 . . . . 514 ILE QG2 . 25010 1 773 . 1 1 66 66 ILE HG23 H 1 0.751 0.002 . 1 . . . . 514 ILE QG2 . 25010 1 774 . 1 1 66 66 ILE HD11 H 1 0.693 0.004 . 1 . . . . 514 ILE QD1 . 25010 1 775 . 1 1 66 66 ILE HD12 H 1 0.693 0.004 . 1 . . . . 514 ILE QD1 . 25010 1 776 . 1 1 66 66 ILE HD13 H 1 0.693 0.004 . 1 . . . . 514 ILE QD1 . 25010 1 777 . 1 1 66 66 ILE CA C 13 60.058 0.037 . 1 . . . . 514 ILE CA . 25010 1 778 . 1 1 66 66 ILE CB C 13 39.802 0.19 . 1 . . . . 514 ILE CB . 25010 1 779 . 1 1 66 66 ILE CG1 C 13 27.069 0.054 . 1 . . . . 514 ILE CG1 . 25010 1 780 . 1 1 66 66 ILE CG2 C 13 17.051 0.047 . 1 . . . . 514 ILE CG2 . 25010 1 781 . 1 1 66 66 ILE CD1 C 13 13.915 0.051 . 1 . . . . 514 ILE CD1 . 25010 1 782 . 1 1 66 66 ILE N N 15 125.882 0.042 . 1 . . . . 514 ILE N . 25010 1 783 . 1 1 67 67 ASN H H 1 8.068 0.004 . 1 . . . . 515 ASN H . 25010 1 784 . 1 1 67 67 ASN HA H 1 4.277 0.004 . 1 . . . . 515 ASN HA . 25010 1 785 . 1 1 67 67 ASN HB2 H 1 2.687 0.001 . 2 . . . . 515 ASN QB . 25010 1 786 . 1 1 67 67 ASN HB3 H 1 2.687 0.001 . 2 . . . . 515 ASN QB . 25010 1 787 . 1 1 67 67 ASN HD21 H 1 7.316 0.006 . 1 . . . . 515 ASN HD21 . 25010 1 788 . 1 1 67 67 ASN HD22 H 1 6.485 0.002 . 1 . . . . 515 ASN HD22 . 25010 1 789 . 1 1 67 67 ASN CA C 13 57.166 0.033 . 1 . . . . 515 ASN CA . 25010 1 790 . 1 1 67 67 ASN CB C 13 38.944 0.095 . 1 . . . . 515 ASN CB . 25010 1 791 . 1 1 67 67 ASN N N 15 124.27 0.039 . 1 . . . . 515 ASN N . 25010 1 792 . 1 1 67 67 ASN ND2 N 15 112.808 0.007 . 1 . . . . 515 ASN ND2 . 25010 1 793 . 1 1 68 68 GLU H H 1 8.32 0.003 . 1 . . . . 516 GLU H . 25010 1 794 . 1 1 68 68 GLU HA H 1 3.841 0.003 . 1 . . . . 516 GLU HA . 25010 1 795 . 1 1 68 68 GLU HB2 H 1 1.818 0.002 . 2 . . . . 516 GLU QB . 25010 1 796 . 1 1 68 68 GLU HB3 H 1 1.818 0.002 . 2 . . . . 516 GLU QB . 25010 1 797 . 1 1 68 68 GLU HG2 H 1 2.12 0.003 . 2 . . . . 516 GLU QG . 25010 1 798 . 1 1 68 68 GLU HG3 H 1 2.12 0.003 . 2 . . . . 516 GLU QG . 25010 1 799 . 1 1 68 68 GLU CA C 13 55.032 0.149 . 1 . . . . 516 GLU CA . 25010 1 800 . 1 1 68 68 GLU CB C 13 31.03 0.079 . 1 . . . . 516 GLU CB . 25010 1 801 . 1 1 68 68 GLU CG C 13 36.401 0.031 . 1 . . . . 516 GLU CG . 25010 1 802 . 1 1 68 68 GLU N N 15 117.624 0.049 . 1 . . . . 516 GLU N . 25010 1 803 . 1 1 69 69 ALA H H 1 8.735 0.004 . 1 . . . . 517 ALA H . 25010 1 804 . 1 1 69 69 ALA HA H 1 4.186 0.001 . 1 . . . . 517 ALA HA . 25010 1 805 . 1 1 69 69 ALA HB1 H 1 1.294 0.003 . 1 . . . . 517 ALA QB . 25010 1 806 . 1 1 69 69 ALA HB2 H 1 1.294 0.003 . 1 . . . . 517 ALA QB . 25010 1 807 . 1 1 69 69 ALA HB3 H 1 1.294 0.003 . 1 . . . . 517 ALA QB . 25010 1 808 . 1 1 69 69 ALA CA C 13 53.726 0.263 . 1 . . . . 517 ALA CA . 25010 1 809 . 1 1 69 69 ALA CB C 13 18.902 0.039 . 1 . . . . 517 ALA CB . 25010 1 810 . 1 1 69 69 ALA N N 15 125.884 0.041 . 1 . . . . 517 ALA N . 25010 1 811 . 1 1 70 70 MET H H 1 9.831 0.007 . 1 . . . . 518 MET H . 25010 1 812 . 1 1 70 70 MET HA H 1 4.888 0.003 . 1 . . . . 518 MET HA . 25010 1 813 . 1 1 70 70 MET HB2 H 1 2.41 0.007 . 2 . . . . 518 MET HB2 . 25010 1 814 . 1 1 70 70 MET HB3 H 1 1.831 0.001 . 2 . . . . 518 MET HB3 . 25010 1 815 . 1 1 70 70 MET HG2 H 1 2.837 0.011 . 2 . . . . 518 MET HG2 . 25010 1 816 . 1 1 70 70 MET HG3 H 1 2.637 0.006 . 2 . . . . 518 MET HG3 . 25010 1 817 . 1 1 70 70 MET HE1 H 1 2.136 0 . 1 . . . . 518 MET QE . 25010 1 818 . 1 1 70 70 MET HE2 H 1 2.136 0 . 1 . . . . 518 MET QE . 25010 1 819 . 1 1 70 70 MET HE3 H 1 2.136 0 . 1 . . . . 518 MET QE . 25010 1 820 . 1 1 70 70 MET CA C 13 53.006 0.052 . 1 . . . . 518 MET CA . 25010 1 821 . 1 1 70 70 MET CB C 13 36.535 0 . 1 . . . . 518 MET CB . 25010 1 822 . 1 1 70 70 MET CG C 13 32.362 0.02 . 1 . . . . 518 MET CG . 25010 1 823 . 1 1 70 70 MET CE C 13 16.975 0 . 1 . . . . 518 MET CE . 25010 1 824 . 1 1 70 70 MET N N 15 123.09 0.045 . 1 . . . . 518 MET N . 25010 1 825 . 1 1 71 71 LEU H H 1 9.108 0.002 . 1 . . . . 519 LEU H . 25010 1 826 . 1 1 71 71 LEU HA H 1 3.846 0.002 . 1 . . . . 519 LEU HA . 25010 1 827 . 1 1 71 71 LEU HB2 H 1 1.752 0.014 . 1 . . . . 519 LEU HB2 . 25010 1 828 . 1 1 71 71 LEU HB3 H 1 1.545 0.006 . 1 . . . . 519 LEU HB3 . 25010 1 829 . 1 1 71 71 LEU HG H 1 1.691 0 . 1 . . . . 519 LEU HG . 25010 1 830 . 1 1 71 71 LEU HD11 H 1 0.989 0.007 . 2 . . . . 519 LEU QD1 . 25010 1 831 . 1 1 71 71 LEU HD12 H 1 0.989 0.007 . 2 . . . . 519 LEU QD1 . 25010 1 832 . 1 1 71 71 LEU HD13 H 1 0.989 0.007 . 2 . . . . 519 LEU QD1 . 25010 1 833 . 1 1 71 71 LEU HD21 H 1 0.806 0.007 . 2 . . . . 519 LEU QD2 . 25010 1 834 . 1 1 71 71 LEU HD22 H 1 0.806 0.007 . 2 . . . . 519 LEU QD2 . 25010 1 835 . 1 1 71 71 LEU HD23 H 1 0.806 0.007 . 2 . . . . 519 LEU QD2 . 25010 1 836 . 1 1 71 71 LEU CA C 13 59.407 0.17 . 1 . . . . 519 LEU CA . 25010 1 837 . 1 1 71 71 LEU CB C 13 40.967 0.04 . 1 . . . . 519 LEU CB . 25010 1 838 . 1 1 71 71 LEU CG C 13 26.969 0 . 1 . . . . 519 LEU CG . 25010 1 839 . 1 1 71 71 LEU CD1 C 13 25.175 0.094 . 2 . . . . 519 LEU CD1 . 25010 1 840 . 1 1 71 71 LEU CD2 C 13 22.913 0.013 . 2 . . . . 519 LEU CD2 . 25010 1 841 . 1 1 71 71 LEU N N 15 123.171 0.044 . 1 . . . . 519 LEU N . 25010 1 842 . 1 1 72 72 GLU H H 1 9.118 0.002 . 1 . . . . 520 GLU H . 25010 1 843 . 1 1 72 72 GLU HA H 1 4.257 0.003 . 1 . . . . 520 GLU HA . 25010 1 844 . 1 1 72 72 GLU HB2 H 1 2.121 0.003 . 2 . . . . 520 GLU QB . 25010 1 845 . 1 1 72 72 GLU HB3 H 1 2.121 0.003 . 2 . . . . 520 GLU QB . 25010 1 846 . 1 1 72 72 GLU HG2 H 1 2.253 0 . 2 . . . . 520 GLU HG2 . 25010 1 847 . 1 1 72 72 GLU HG3 H 1 2.359 0.001 . 2 . . . . 520 GLU HG3 . 25010 1 848 . 1 1 72 72 GLU CA C 13 58.537 0.069 . 1 . . . . 520 GLU CA . 25010 1 849 . 1 1 72 72 GLU CB C 13 28.123 0 . 1 . . . . 520 GLU CB . 25010 1 850 . 1 1 72 72 GLU CG C 13 36.407 0 . 1 . . . . 520 GLU CG . 25010 1 851 . 1 1 72 72 GLU N N 15 115.409 0.036 . 1 . . . . 520 GLU N . 25010 1 852 . 1 1 73 73 ASP H H 1 8.114 0.003 . 1 . . . . 521 ASP H . 25010 1 853 . 1 1 73 73 ASP HA H 1 4.692 0.001 . 1 . . . . 521 ASP HA . 25010 1 854 . 1 1 73 73 ASP HB2 H 1 2.936 0.007 . 2 . . . . 521 ASP HB2 . 25010 1 855 . 1 1 73 73 ASP HB3 H 1 2.671 0.004 . 2 . . . . 521 ASP HB3 . 25010 1 856 . 1 1 73 73 ASP CA C 13 56.134 0.313 . 1 . . . . 521 ASP CA . 25010 1 857 . 1 1 73 73 ASP CB C 13 41.053 0.05 . 1 . . . . 521 ASP CB . 25010 1 858 . 1 1 73 73 ASP N N 15 117.154 0.04 . 1 . . . . 521 ASP N . 25010 1 859 . 1 1 74 74 ALA H H 1 7.572 0.003 . 1 . . . . 522 ALA H . 25010 1 860 . 1 1 74 74 ALA HA H 1 4.159 0.005 . 1 . . . . 522 ALA HA . 25010 1 861 . 1 1 74 74 ALA HB1 H 1 1.691 0.001 . 1 . . . . 522 ALA QB . 25010 1 862 . 1 1 74 74 ALA HB2 H 1 1.691 0.001 . 1 . . . . 522 ALA QB . 25010 1 863 . 1 1 74 74 ALA HB3 H 1 1.691 0.001 . 1 . . . . 522 ALA QB . 25010 1 864 . 1 1 74 74 ALA CA C 13 53.689 0.116 . 1 . . . . 522 ALA CA . 25010 1 865 . 1 1 74 74 ALA CB C 13 19.915 0.022 . 1 . . . . 522 ALA CB . 25010 1 866 . 1 1 74 74 ALA N N 15 123.368 0.05 . 1 . . . . 522 ALA N . 25010 1 867 . 1 1 75 75 GLY H H 1 8.509 0.006 . 1 . . . . 523 GLY H . 25010 1 868 . 1 1 75 75 GLY HA2 H 1 4.64 0.001 . 1 . . . . 523 GLY HA2 . 25010 1 869 . 1 1 75 75 GLY HA3 H 1 4.035 0.008 . 1 . . . . 523 GLY HA3 . 25010 1 870 . 1 1 75 75 GLY CA C 13 45.093 0.012 . 1 . . . . 523 GLY CA . 25010 1 871 . 1 1 75 75 GLY N N 15 107.946 0.047 . 1 . . . . 523 GLY N . 25010 1 872 . 1 1 76 76 HIS H H 1 9.142 0.002 . 1 . . . . 524 HIS H . 25010 1 873 . 1 1 76 76 HIS HA H 1 5.29 0.002 . 1 . . . . 524 HIS HA . 25010 1 874 . 1 1 76 76 HIS HB2 H 1 3.173 0.005 . 2 . . . . 524 HIS HB2 . 25010 1 875 . 1 1 76 76 HIS HB3 H 1 2.989 0 . 2 . . . . 524 HIS HB3 . 25010 1 876 . 1 1 76 76 HIS HD2 H 1 7.09 0.001 . 1 . . . . 524 HIS HD2 . 25010 1 877 . 1 1 76 76 HIS HE1 H 1 8.156 0 . 1 . . . . 524 HIS HE1 . 25010 1 878 . 1 1 76 76 HIS CA C 13 56.034 0.056 . 1 . . . . 524 HIS CA . 25010 1 879 . 1 1 76 76 HIS CB C 13 30.145 0.092 . 1 . . . . 524 HIS CB . 25010 1 880 . 1 1 76 76 HIS CD2 C 13 120.194 0 . 1 . . . . 524 HIS CD2 . 25010 1 881 . 1 1 76 76 HIS CE1 C 13 137.514 0 . 1 . . . . 524 HIS CE1 . 25010 1 882 . 1 1 76 76 HIS N N 15 119.84 0.046 . 1 . . . . 524 HIS N . 25010 1 883 . 1 1 77 77 TYR H H 1 9.59 0.007 . 1 . . . . 525 TYR H . 25010 1 884 . 1 1 77 77 TYR HA H 1 5.218 0.008 . 1 . . . . 525 TYR HA . 25010 1 885 . 1 1 77 77 TYR HB2 H 1 2.18 0.008 . 1 . . . . 525 TYR HB2 . 25010 1 886 . 1 1 77 77 TYR HB3 H 1 2.271 0.006 . 1 . . . . 525 TYR HB3 . 25010 1 887 . 1 1 77 77 TYR HD1 H 1 6.862 0.012 . 1 . . . . 525 TYR HD1 . 25010 1 888 . 1 1 77 77 TYR HD2 H 1 6.862 0.012 . 1 . . . . 525 TYR HD2 . 25010 1 889 . 1 1 77 77 TYR HE1 H 1 6.91 0.003 . 3 . . . . 525 TYR HE1 . 25010 1 890 . 1 1 77 77 TYR HE2 H 1 6.913 0 . 3 . . . . 525 TYR HE2 . 25010 1 891 . 1 1 77 77 TYR CA C 13 57.358 0.011 . 1 . . . . 525 TYR CA . 25010 1 892 . 1 1 77 77 TYR CB C 13 40.926 0.011 . 1 . . . . 525 TYR CB . 25010 1 893 . 1 1 77 77 TYR CD1 C 13 133.284 0 . 1 . . . . 525 TYR CD1 . 25010 1 894 . 1 1 77 77 TYR CD2 C 13 133.284 0 . 1 . . . . 525 TYR CD2 . 25010 1 895 . 1 1 77 77 TYR CE1 C 13 118.172 0 . 3 . . . . 525 TYR CE1 . 25010 1 896 . 1 1 77 77 TYR CE2 C 13 118.178 0 . 3 . . . . 525 TYR CE2 . 25010 1 897 . 1 1 77 77 TYR N N 15 127.518 0.037 . 1 . . . . 525 TYR N . 25010 1 898 . 1 1 78 78 ALA H H 1 9.116 0.004 . 1 . . . . 526 ALA H . 25010 1 899 . 1 1 78 78 ALA HA H 1 5.608 0.002 . 1 . . . . 526 ALA HA . 25010 1 900 . 1 1 78 78 ALA HB1 H 1 1.181 0.004 . 1 . . . . 526 ALA QB . 25010 1 901 . 1 1 78 78 ALA HB2 H 1 1.181 0.004 . 1 . . . . 526 ALA QB . 25010 1 902 . 1 1 78 78 ALA HB3 H 1 1.181 0.004 . 1 . . . . 526 ALA QB . 25010 1 903 . 1 1 78 78 ALA CA C 13 49.627 0.138 . 1 . . . . 526 ALA CA . 25010 1 904 . 1 1 78 78 ALA CB C 13 24.176 0.067 . 1 . . . . 526 ALA CB . 25010 1 905 . 1 1 78 78 ALA N N 15 121.84 0.044 . 1 . . . . 526 ALA N . 25010 1 906 . 1 1 79 79 LEU H H 1 8.177 0.007 . 1 . . . . 527 LEU H . 25010 1 907 . 1 1 79 79 LEU HA H 1 4.564 0.006 . 1 . . . . 527 LEU HA . 25010 1 908 . 1 1 79 79 LEU HB2 H 1 1.14 0.005 . 2 . . . . 527 LEU HB2 . 25010 1 909 . 1 1 79 79 LEU HB3 H 1 0.366 0.008 . 2 . . . . 527 LEU HB3 . 25010 1 910 . 1 1 79 79 LEU HG H 1 0.671 0.006 . 1 . . . . 527 LEU HG . 25010 1 911 . 1 1 79 79 LEU HD11 H 1 -0.312 0.005 . 2 . . . . 527 LEU QD1 . 25010 1 912 . 1 1 79 79 LEU HD12 H 1 -0.312 0.005 . 2 . . . . 527 LEU QD1 . 25010 1 913 . 1 1 79 79 LEU HD13 H 1 -0.312 0.005 . 2 . . . . 527 LEU QD1 . 25010 1 914 . 1 1 79 79 LEU HD21 H 1 -0.19 0.034 . 2 . . . . 527 LEU QD2 . 25010 1 915 . 1 1 79 79 LEU HD22 H 1 -0.19 0.034 . 2 . . . . 527 LEU QD2 . 25010 1 916 . 1 1 79 79 LEU HD23 H 1 -0.19 0.034 . 2 . . . . 527 LEU QD2 . 25010 1 917 . 1 1 79 79 LEU CA C 13 53.112 0.105 . 1 . . . . 527 LEU CA . 25010 1 918 . 1 1 79 79 LEU CB C 13 42.995 0.052 . 1 . . . . 527 LEU CB . 25010 1 919 . 1 1 79 79 LEU CG C 13 27.033 0.064 . 1 . . . . 527 LEU CG . 25010 1 920 . 1 1 79 79 LEU CD1 C 13 24.17 0.047 . 2 . . . . 527 LEU CD1 . 25010 1 921 . 1 1 79 79 LEU CD2 C 13 23.801 0.153 . 2 . . . . 527 LEU CD2 . 25010 1 922 . 1 1 79 79 LEU N N 15 121.819 0.032 . 1 . . . . 527 LEU N . 25010 1 923 . 1 1 80 80 CYS H H 1 8.991 0.004 . 1 . . . . 528 CYS H . 25010 1 924 . 1 1 80 80 CYS HA H 1 4.995 0.005 . 1 . . . . 528 CYS HA . 25010 1 925 . 1 1 80 80 CYS HB2 H 1 2.953 0.007 . 2 . . . . 528 CYS HB2 . 25010 1 926 . 1 1 80 80 CYS HB3 H 1 2.614 0.004 . 2 . . . . 528 CYS HB3 . 25010 1 927 . 1 1 80 80 CYS CA C 13 57.302 0.061 . 1 . . . . 528 CYS CA . 25010 1 928 . 1 1 80 80 CYS CB C 13 29.928 0.077 . 1 . . . . 528 CYS CB . 25010 1 929 . 1 1 80 80 CYS N N 15 122.918 0.043 . 1 . . . . 528 CYS N . 25010 1 930 . 1 1 81 81 THR H H 1 8.688 0.004 . 1 . . . . 529 THR H . 25010 1 931 . 1 1 81 81 THR HA H 1 4.717 0.005 . 1 . . . . 529 THR HA . 25010 1 932 . 1 1 81 81 THR HB H 1 4.357 0.008 . 1 . . . . 529 THR HB . 25010 1 933 . 1 1 81 81 THR HG21 H 1 0.792 0.004 . 1 . . . . 529 THR QG2 . 25010 1 934 . 1 1 81 81 THR HG22 H 1 0.792 0.004 . 1 . . . . 529 THR QG2 . 25010 1 935 . 1 1 81 81 THR HG23 H 1 0.792 0.004 . 1 . . . . 529 THR QG2 . 25010 1 936 . 1 1 81 81 THR CA C 13 59.605 0.004 . 1 . . . . 529 THR CA . 25010 1 937 . 1 1 81 81 THR CB C 13 71.228 0.24 . 1 . . . . 529 THR CB . 25010 1 938 . 1 1 81 81 THR CG2 C 13 22.424 0.029 . 1 . . . . 529 THR CG2 . 25010 1 939 . 1 1 81 81 THR N N 15 116.311 0.042 . 1 . . . . 529 THR N . 25010 1 940 . 1 1 82 82 SER H H 1 9.371 0.003 . 1 . . . . 530 SER H . 25010 1 941 . 1 1 82 82 SER HA H 1 4.284 0 . 1 . . . . 530 SER HA . 25010 1 942 . 1 1 82 82 SER HB2 H 1 4.058 0.004 . 2 . . . . 530 SER QB . 25010 1 943 . 1 1 82 82 SER HB3 H 1 4.058 0.004 . 2 . . . . 530 SER QB . 25010 1 944 . 1 1 82 82 SER CA C 13 59.975 0 . 1 . . . . 530 SER CA . 25010 1 945 . 1 1 82 82 SER CB C 13 62.698 0.394 . 1 . . . . 530 SER CB . 25010 1 946 . 1 1 82 82 SER N N 15 115.043 0.036 . 1 . . . . 530 SER N . 25010 1 947 . 1 1 83 83 GLY H H 1 8.173 0.003 . 1 . . . . 531 GLY H . 25010 1 948 . 1 1 83 83 GLY HA2 H 1 3.524 0 . 1 . . . . 531 GLY HA2 . 25010 1 949 . 1 1 83 83 GLY HA3 H 1 4.465 0.002 . 1 . . . . 531 GLY HA3 . 25010 1 950 . 1 1 83 83 GLY CA C 13 45.295 0.117 . 1 . . . . 531 GLY CA . 25010 1 951 . 1 1 83 83 GLY N N 15 108.631 0.031 . 1 . . . . 531 GLY N . 25010 1 952 . 1 1 84 84 GLY H H 1 7.54 0.002 . 1 . . . . 532 GLY H . 25010 1 953 . 1 1 84 84 GLY HA2 H 1 4.168 0 . 2 . . . . 532 GLY HA2 . 25010 1 954 . 1 1 84 84 GLY HA3 H 1 4.057 0.004 . 2 . . . . 532 GLY HA3 . 25010 1 955 . 1 1 84 84 GLY CA C 13 45.389 0.087 . 1 . . . . 532 GLY CA . 25010 1 956 . 1 1 84 84 GLY N N 15 109.029 0.032 . 1 . . . . 532 GLY N . 25010 1 957 . 1 1 85 85 GLN H H 1 8.309 0.002 . 1 . . . . 533 GLN H . 25010 1 958 . 1 1 85 85 GLN HA H 1 5.357 0.006 . 1 . . . . 533 GLN HA . 25010 1 959 . 1 1 85 85 GLN HB2 H 1 2.157 0.001 . 2 . . . . 533 GLN HB2 . 25010 1 960 . 1 1 85 85 GLN HB3 H 1 1.99 0.01 . 2 . . . . 533 GLN HB3 . 25010 1 961 . 1 1 85 85 GLN HE21 H 1 6.668 0.001 . 2 . . . . 533 GLN HE21 . 25010 1 962 . 1 1 85 85 GLN HE22 H 1 7.06 0.002 . 2 . . . . 533 GLN HE22 . 25010 1 963 . 1 1 85 85 GLN CA C 13 54.682 0.065 . 1 . . . . 533 GLN CA . 25010 1 964 . 1 1 85 85 GLN CB C 13 32.353 0 . 1 . . . . 533 GLN CB . 25010 1 965 . 1 1 85 85 GLN CG C 13 33.907 0.042 . 1 . . . . 533 GLN CG . 25010 1 966 . 1 1 85 85 GLN N N 15 116.724 0.029 . 1 . . . . 533 GLN N . 25010 1 967 . 1 1 85 85 GLN NE2 N 15 109.887 0.023 . 1 . . . . 533 GLN NE2 . 25010 1 968 . 1 1 86 86 ALA H H 1 8.876 0.002 . 1 . . . . 534 ALA H . 25010 1 969 . 1 1 86 86 ALA HA H 1 4.87 0.006 . 1 . . . . 534 ALA HA . 25010 1 970 . 1 1 86 86 ALA HB1 H 1 1.533 0.007 . 1 . . . . 534 ALA QB . 25010 1 971 . 1 1 86 86 ALA HB2 H 1 1.533 0.007 . 1 . . . . 534 ALA QB . 25010 1 972 . 1 1 86 86 ALA HB3 H 1 1.533 0.007 . 1 . . . . 534 ALA QB . 25010 1 973 . 1 1 86 86 ALA CA C 13 50.764 0.102 . 1 . . . . 534 ALA CA . 25010 1 974 . 1 1 86 86 ALA CB C 13 22.046 0.031 . 1 . . . . 534 ALA CB . 25010 1 975 . 1 1 86 86 ALA N N 15 126.868 0.072 . 1 . . . . 534 ALA N . 25010 1 976 . 1 1 87 87 LEU H H 1 8.445 0.003 . 1 . . . . 535 LEU H . 25010 1 977 . 1 1 87 87 LEU HA H 1 5.401 0.008 . 1 . . . . 535 LEU HA . 25010 1 978 . 1 1 87 87 LEU HB2 H 1 1.708 0.004 . 1 . . . . 535 LEU HB2 . 25010 1 979 . 1 1 87 87 LEU HB3 H 1 1.57 0.002 . 1 . . . . 535 LEU HB3 . 25010 1 980 . 1 1 87 87 LEU HG H 1 1.584 0.004 . 1 . . . . 535 LEU HG . 25010 1 981 . 1 1 87 87 LEU HD11 H 1 0.797 0.001 . 2 . . . . 535 LEU QD1 . 25010 1 982 . 1 1 87 87 LEU HD12 H 1 0.797 0.001 . 2 . . . . 535 LEU QD1 . 25010 1 983 . 1 1 87 87 LEU HD13 H 1 0.797 0.001 . 2 . . . . 535 LEU QD1 . 25010 1 984 . 1 1 87 87 LEU HD21 H 1 0.859 0.002 . 2 . . . . 535 LEU QD2 . 25010 1 985 . 1 1 87 87 LEU HD22 H 1 0.859 0.002 . 2 . . . . 535 LEU QD2 . 25010 1 986 . 1 1 87 87 LEU HD23 H 1 0.859 0.002 . 2 . . . . 535 LEU QD2 . 25010 1 987 . 1 1 87 87 LEU CA C 13 54.53 0.223 . 1 . . . . 535 LEU CA . 25010 1 988 . 1 1 87 87 LEU CB C 13 46.423 0.048 . 1 . . . . 535 LEU CB . 25010 1 989 . 1 1 87 87 LEU CG C 13 27.761 0.04 . 1 . . . . 535 LEU CG . 25010 1 990 . 1 1 87 87 LEU CD1 C 13 25.053 0.023 . 1 . . . . 535 LEU CD1 . 25010 1 991 . 1 1 87 87 LEU CD2 C 13 24.953 0 . 1 . . . . 535 LEU CD2 . 25010 1 992 . 1 1 87 87 LEU N N 15 122.735 0.036 . 1 . . . . 535 LEU N . 25010 1 993 . 1 1 88 88 ALA H H 1 9.375 0.004 . 1 . . . . 536 ALA H . 25010 1 994 . 1 1 88 88 ALA HA H 1 4.758 0.002 . 1 . . . . 536 ALA HA . 25010 1 995 . 1 1 88 88 ALA HB1 H 1 1.397 0.002 . 1 . . . . 536 ALA QB . 25010 1 996 . 1 1 88 88 ALA HB2 H 1 1.397 0.002 . 1 . . . . 536 ALA QB . 25010 1 997 . 1 1 88 88 ALA HB3 H 1 1.397 0.002 . 1 . . . . 536 ALA QB . 25010 1 998 . 1 1 88 88 ALA CA C 13 51.975 0.059 . 1 . . . . 536 ALA CA . 25010 1 999 . 1 1 88 88 ALA CB C 13 24.534 0.033 . 1 . . . . 536 ALA CB . 25010 1 1000 . 1 1 88 88 ALA N N 15 125.503 0.045 . 1 . . . . 536 ALA N . 25010 1 1001 . 1 1 89 89 GLU H H 1 9.32 0.005 . 1 . . . . 537 GLU H . 25010 1 1002 . 1 1 89 89 GLU HA H 1 4.942 0.002 . 1 . . . . 537 GLU HA . 25010 1 1003 . 1 1 89 89 GLU HB2 H 1 1.697 0.002 . 2 . . . . 537 GLU QB . 25010 1 1004 . 1 1 89 89 GLU HB3 H 1 1.697 0.002 . 2 . . . . 537 GLU QB . 25010 1 1005 . 1 1 89 89 GLU HG2 H 1 1.944 0.005 . 2 . . . . 537 GLU QG . 25010 1 1006 . 1 1 89 89 GLU HG3 H 1 1.944 0.005 . 2 . . . . 537 GLU QG . 25010 1 1007 . 1 1 89 89 GLU CA C 13 55.059 0.075 . 1 . . . . 537 GLU CA . 25010 1 1008 . 1 1 89 89 GLU CB C 13 31.991 0 . 1 . . . . 537 GLU CB . 25010 1 1009 . 1 1 89 89 GLU CG C 13 36.688 0.003 . 1 . . . . 537 GLU CG . 25010 1 1010 . 1 1 89 89 GLU N N 15 121.939 0.04 . 1 . . . . 537 GLU N . 25010 1 1011 . 1 1 90 90 LEU H H 1 9.306 0.002 . 1 . . . . 538 LEU H . 25010 1 1012 . 1 1 90 90 LEU HA H 1 5.372 0.006 . 1 . . . . 538 LEU HA . 25010 1 1013 . 1 1 90 90 LEU HB2 H 1 2.426 0.006 . 2 . . . . 538 LEU HB2 . 25010 1 1014 . 1 1 90 90 LEU HB3 H 1 1.516 0.008 . 2 . . . . 538 LEU HB3 . 25010 1 1015 . 1 1 90 90 LEU HG H 1 1.316 0.01 . 1 . . . . 538 LEU HG . 25010 1 1016 . 1 1 90 90 LEU HD11 H 1 0.799 0.006 . 2 . . . . 538 LEU QD1 . 25010 1 1017 . 1 1 90 90 LEU HD12 H 1 0.799 0.006 . 2 . . . . 538 LEU QD1 . 25010 1 1018 . 1 1 90 90 LEU HD13 H 1 0.799 0.006 . 2 . . . . 538 LEU QD1 . 25010 1 1019 . 1 1 90 90 LEU HD21 H 1 0.76 0.003 . 2 . . . . 538 LEU QD2 . 25010 1 1020 . 1 1 90 90 LEU HD22 H 1 0.76 0.003 . 2 . . . . 538 LEU QD2 . 25010 1 1021 . 1 1 90 90 LEU HD23 H 1 0.76 0.003 . 2 . . . . 538 LEU QD2 . 25010 1 1022 . 1 1 90 90 LEU CA C 13 53.663 0.228 . 1 . . . . 538 LEU CA . 25010 1 1023 . 1 1 90 90 LEU CB C 13 45.18 0.11 . 1 . . . . 538 LEU CB . 25010 1 1024 . 1 1 90 90 LEU CG C 13 28.267 0.091 . 1 . . . . 538 LEU CG . 25010 1 1025 . 1 1 90 90 LEU CD1 C 13 25.567 0 . 1 . . . . 538 LEU CD1 . 25010 1 1026 . 1 1 90 90 LEU CD2 C 13 25.567 0 . 1 . . . . 538 LEU CD2 . 25010 1 1027 . 1 1 90 90 LEU N N 15 125.03 0.044 . 1 . . . . 538 LEU N . 25010 1 1028 . 1 1 91 91 ILE H H 1 8.908 0.005 . 1 . . . . 539 ILE H . 25010 1 1029 . 1 1 91 91 ILE HA H 1 4.304 0.002 . 1 . . . . 539 ILE HA . 25010 1 1030 . 1 1 91 91 ILE HB H 1 1.806 0.005 . 1 . . . . 539 ILE HB . 25010 1 1031 . 1 1 91 91 ILE HG12 H 1 1.152 0.007 . 1 . . . . 539 ILE HG12 . 25010 1 1032 . 1 1 91 91 ILE HG13 H 1 1.505 0.002 . 1 . . . . 539 ILE HG13 . 25010 1 1033 . 1 1 91 91 ILE HG21 H 1 0.91 0.003 . 1 . . . . 539 ILE QG2 . 25010 1 1034 . 1 1 91 91 ILE HG22 H 1 0.91 0.003 . 1 . . . . 539 ILE QG2 . 25010 1 1035 . 1 1 91 91 ILE HG23 H 1 0.91 0.003 . 1 . . . . 539 ILE QG2 . 25010 1 1036 . 1 1 91 91 ILE HD11 H 1 0.886 0.001 . 1 . . . . 539 ILE QD1 . 25010 1 1037 . 1 1 91 91 ILE HD12 H 1 0.886 0.001 . 1 . . . . 539 ILE QD1 . 25010 1 1038 . 1 1 91 91 ILE HD13 H 1 0.886 0.001 . 1 . . . . 539 ILE QD1 . 25010 1 1039 . 1 1 91 91 ILE CA C 13 61.221 0.018 . 1 . . . . 539 ILE CA . 25010 1 1040 . 1 1 91 91 ILE CB C 13 39.938 0.082 . 1 . . . . 539 ILE CB . 25010 1 1041 . 1 1 91 91 ILE CG1 C 13 28.349 0 . 1 . . . . 539 ILE CG1 . 25010 1 1042 . 1 1 91 91 ILE CG2 C 13 17.653 0.021 . 1 . . . . 539 ILE CG2 . 25010 1 1043 . 1 1 91 91 ILE CD1 C 13 13.678 0.035 . 1 . . . . 539 ILE CD1 . 25010 1 1044 . 1 1 91 91 ILE N N 15 130.825 0.055 . 1 . . . . 539 ILE N . 25010 1 1045 . 1 1 92 92 VAL H H 1 7.89 0.003 . 1 . . . . 540 VAL H . 25010 1 1046 . 1 1 92 92 VAL HA H 1 4.806 0.003 . 1 . . . . 540 VAL HA . 25010 1 1047 . 1 1 92 92 VAL HB H 1 1.89 0.004 . 1 . . . . 540 VAL HB . 25010 1 1048 . 1 1 92 92 VAL HG11 H 1 0.591 0.004 . 2 . . . . 540 VAL QG1 . 25010 1 1049 . 1 1 92 92 VAL HG12 H 1 0.591 0.004 . 2 . . . . 540 VAL QG1 . 25010 1 1050 . 1 1 92 92 VAL HG13 H 1 0.591 0.004 . 2 . . . . 540 VAL QG1 . 25010 1 1051 . 1 1 92 92 VAL HG21 H 1 0.732 0.005 . 2 . . . . 540 VAL QG2 . 25010 1 1052 . 1 1 92 92 VAL HG22 H 1 0.732 0.005 . 2 . . . . 540 VAL QG2 . 25010 1 1053 . 1 1 92 92 VAL HG23 H 1 0.732 0.005 . 2 . . . . 540 VAL QG2 . 25010 1 1054 . 1 1 92 92 VAL CA C 13 60.34 0.125 . 1 . . . . 540 VAL CA . 25010 1 1055 . 1 1 92 92 VAL CB C 13 33.794 0.083 . 1 . . . . 540 VAL CB . 25010 1 1056 . 1 1 92 92 VAL CG1 C 13 21.659 0.022 . 1 . . . . 540 VAL CG1 . 25010 1 1057 . 1 1 92 92 VAL CG2 C 13 19.664 0.045 . 1 . . . . 540 VAL CG2 . 25010 1 1058 . 1 1 92 92 VAL N N 15 125.447 0.04 . 1 . . . . 540 VAL N . 25010 1 1059 . 1 1 93 93 GLN H H 1 9.089 0.003 . 1 . . . . 541 GLN H . 25010 1 1060 . 1 1 93 93 GLN HA H 1 4.652 0.003 . 1 . . . . 541 GLN HA . 25010 1 1061 . 1 1 93 93 GLN HB2 H 1 2.144 0 . 2 . . . . 541 GLN HB2 . 25010 1 1062 . 1 1 93 93 GLN HB3 H 1 2.056 0.002 . 2 . . . . 541 GLN HB3 . 25010 1 1063 . 1 1 93 93 GLN HG2 H 1 2.303 0.008 . 2 . . . . 541 GLN QG . 25010 1 1064 . 1 1 93 93 GLN HG3 H 1 2.303 0.008 . 2 . . . . 541 GLN QG . 25010 1 1065 . 1 1 93 93 GLN HE21 H 1 6.805 0.001 . 2 . . . . 541 GLN HE21 . 25010 1 1066 . 1 1 93 93 GLN HE22 H 1 7.307 0.001 . 2 . . . . 541 GLN HE22 . 25010 1 1067 . 1 1 93 93 GLN CA C 13 54.441 0.045 . 1 . . . . 541 GLN CA . 25010 1 1068 . 1 1 93 93 GLN CB C 13 30.994 0.002 . 1 . . . . 541 GLN CB . 25010 1 1069 . 1 1 93 93 GLN CG C 13 34.189 0.042 . 1 . . . . 541 GLN CG . 25010 1 1070 . 1 1 93 93 GLN N N 15 126.06 0.038 . 1 . . . . 541 GLN N . 25010 1 1071 . 1 1 93 93 GLN NE2 N 15 111.056 0.002 . 1 . . . . 541 GLN NE2 . 25010 1 1072 . 1 1 94 94 GLU H H 1 8.763 0.002 . 1 . . . . 542 GLU H . 25010 1 1073 . 1 1 94 94 GLU HA H 1 4.34 0.004 . 1 . . . . 542 GLU HA . 25010 1 1074 . 1 1 94 94 GLU HB2 H 1 2.154 0 . 2 . . . . 542 GLU HB2 . 25010 1 1075 . 1 1 94 94 GLU HB3 H 1 2.025 0.005 . 2 . . . . 542 GLU HB3 . 25010 1 1076 . 1 1 94 94 GLU HG2 H 1 2.295 0 . 2 . . . . 542 GLU HG2 . 25010 1 1077 . 1 1 94 94 GLU HG3 H 1 2.384 0 . 2 . . . . 542 GLU HG3 . 25010 1 1078 . 1 1 94 94 GLU CA C 13 57.168 0 . 1 . . . . 542 GLU CA . 25010 1 1079 . 1 1 94 94 GLU CB C 13 32.061 0.035 . 1 . . . . 542 GLU CB . 25010 1 1080 . 1 1 94 94 GLU CG C 13 37.279 0 . 1 . . . . 542 GLU CG . 25010 1 1081 . 1 1 94 94 GLU N N 15 122.213 0.041 . 1 . . . . 542 GLU N . 25010 1 1082 . 1 1 95 95 LYS H H 1 7.964 0.002 . 1 . . . . 543 LYS H . 25010 1 1083 . 1 1 95 95 LYS HA H 1 4.181 0.003 . 1 . . . . 543 LYS HA . 25010 1 1084 . 1 1 95 95 LYS HB2 H 1 1.825 0.014 . 2 . . . . 543 LYS QB . 25010 1 1085 . 1 1 95 95 LYS HB3 H 1 1.825 0.014 . 2 . . . . 543 LYS QB . 25010 1 1086 . 1 1 95 95 LYS HG2 H 1 1.418 0.003 . 2 . . . . 543 LYS QG . 25010 1 1087 . 1 1 95 95 LYS HG3 H 1 1.418 0.003 . 2 . . . . 543 LYS QG . 25010 1 1088 . 1 1 95 95 LYS HD2 H 1 1.711 0.001 . 2 . . . . 543 LYS QD . 25010 1 1089 . 1 1 95 95 LYS HD3 H 1 1.711 0.001 . 2 . . . . 543 LYS QD . 25010 1 1090 . 1 1 95 95 LYS HE2 H 1 3.019 0 . 2 . . . . 543 LYS QE . 25010 1 1091 . 1 1 95 95 LYS HE3 H 1 3.019 0 . 2 . . . . 543 LYS QE . 25010 1 1092 . 1 1 95 95 LYS CA C 13 57.769 0.052 . 1 . . . . 543 LYS CA . 25010 1 1093 . 1 1 95 95 LYS CB C 13 33.743 0.041 . 1 . . . . 543 LYS CB . 25010 1 1094 . 1 1 95 95 LYS CG C 13 24.688 0 . 1 . . . . 543 LYS CG . 25010 1 1095 . 1 1 95 95 LYS CD C 13 29.328 0.032 . 1 . . . . 543 LYS CD . 25010 1 1096 . 1 1 95 95 LYS N N 15 125.327 0.04 . 1 . . . . 543 LYS N . 25010 1 stop_ save_