data_25007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25007 _Entry.Title ; STRUCTURAL CHARACTERIZATION OF THE C3 DOMAIN OF CARDIAC MYOSIN BINDING PROTEIN-C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-10 _Entry.Accession_date 2014-06-10 _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 . . . 25007 2 Soumya De . . . 25007 3 Lawrence McIntosh . . . 25007 4 Mark Paetzel . . . 25007 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' . 25007 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cardiac myosin binding protein C' . 25007 'C3 domain' . 25007 Ig-like . 25007 'hypertrophic cardiomyopathy' . 25007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 674 25007 '13C chemical shifts' 423 25007 '15N chemical shifts' 99 25007 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-07-30 2015-06-10 update author 'update ambiguity codes' 25007 1 . . 2014-07-28 2015-06-10 original author 'original release' 25007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQ0 'BMRB Entry Tracking System' 25007 BMRB 25010 'Hypertrophic Cardiomyopathy-Related R502W Mutant' 25007 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25007 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _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 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 . . . 25007 1 2 Soumya De . . . 25007 1 3 Lawrence McIntosh . . . 25007 1 4 Mark Paetzel . . . 25007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25007 _Assembly.ID 1 _Assembly.Name 'C3 DOMAIN OF CARDIAC MYOSIN BINDING PROTEIN-C, WT' _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 . . . 25007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25007 _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 DGVELTREETFKYRFKKDGQ 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 10827.413 _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 25010 . entity . . . . . 100.00 95 98.95 98.95 7.07e-61 . . . . 25007 1 2 no PDB 2MQ0 . "Nmr Structure Of The C3 Domain Of Human Cardiac Myosin Binding Protein-c" . . . . . 100.00 95 100.00 100.00 3.49e-62 . . . . 25007 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 98.95 98.95 7.07e-61 . . . . 25007 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 . 25007 1 2 450 SER . 25007 1 3 451 HIS . 25007 1 4 452 MET . 25007 1 5 453 PRO . 25007 1 6 454 VAL . 25007 1 7 455 LEU . 25007 1 8 456 ILE . 25007 1 9 457 THR . 25007 1 10 458 ARG . 25007 1 11 459 PRO . 25007 1 12 460 LEU . 25007 1 13 461 GLU . 25007 1 14 462 ASP . 25007 1 15 463 GLN . 25007 1 16 464 LEU . 25007 1 17 465 VAL . 25007 1 18 466 MET . 25007 1 19 467 VAL . 25007 1 20 468 GLY . 25007 1 21 469 GLN . 25007 1 22 470 ARG . 25007 1 23 471 VAL . 25007 1 24 472 GLU . 25007 1 25 473 PHE . 25007 1 26 474 GLU . 25007 1 27 475 CYS . 25007 1 28 476 GLU . 25007 1 29 477 VAL . 25007 1 30 478 SER . 25007 1 31 479 GLU . 25007 1 32 480 GLU . 25007 1 33 481 GLY . 25007 1 34 482 ALA . 25007 1 35 483 GLN . 25007 1 36 484 VAL . 25007 1 37 485 LYS . 25007 1 38 486 TRP . 25007 1 39 487 LEU . 25007 1 40 488 LYS . 25007 1 41 489 ASP . 25007 1 42 490 GLY . 25007 1 43 491 VAL . 25007 1 44 492 GLU . 25007 1 45 493 LEU . 25007 1 46 494 THR . 25007 1 47 495 ARG . 25007 1 48 496 GLU . 25007 1 49 497 GLU . 25007 1 50 498 THR . 25007 1 51 499 PHE . 25007 1 52 500 LYS . 25007 1 53 501 TYR . 25007 1 54 502 ARG . 25007 1 55 503 PHE . 25007 1 56 504 LYS . 25007 1 57 505 LYS . 25007 1 58 506 ASP . 25007 1 59 507 GLY . 25007 1 60 508 GLN . 25007 1 61 509 ARG . 25007 1 62 510 HIS . 25007 1 63 511 HIS . 25007 1 64 512 LEU . 25007 1 65 513 ILE . 25007 1 66 514 ILE . 25007 1 67 515 ASN . 25007 1 68 516 GLU . 25007 1 69 517 ALA . 25007 1 70 518 MET . 25007 1 71 519 LEU . 25007 1 72 520 GLU . 25007 1 73 521 ASP . 25007 1 74 522 ALA . 25007 1 75 523 GLY . 25007 1 76 524 HIS . 25007 1 77 525 TYR . 25007 1 78 526 ALA . 25007 1 79 527 LEU . 25007 1 80 528 CYS . 25007 1 81 529 THR . 25007 1 82 530 SER . 25007 1 83 531 GLY . 25007 1 84 532 GLY . 25007 1 85 533 GLN . 25007 1 86 534 ALA . 25007 1 87 535 LEU . 25007 1 88 536 ALA . 25007 1 89 537 GLU . 25007 1 90 538 LEU . 25007 1 91 539 ILE . 25007 1 92 540 VAL . 25007 1 93 541 GLN . 25007 1 94 542 GLU . 25007 1 95 543 LYS . 25007 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 25007 1 . SER 2 2 25007 1 . HIS 3 3 25007 1 . MET 4 4 25007 1 . PRO 5 5 25007 1 . VAL 6 6 25007 1 . LEU 7 7 25007 1 . ILE 8 8 25007 1 . THR 9 9 25007 1 . ARG 10 10 25007 1 . PRO 11 11 25007 1 . LEU 12 12 25007 1 . GLU 13 13 25007 1 . ASP 14 14 25007 1 . GLN 15 15 25007 1 . LEU 16 16 25007 1 . VAL 17 17 25007 1 . MET 18 18 25007 1 . VAL 19 19 25007 1 . GLY 20 20 25007 1 . GLN 21 21 25007 1 . ARG 22 22 25007 1 . VAL 23 23 25007 1 . GLU 24 24 25007 1 . PHE 25 25 25007 1 . GLU 26 26 25007 1 . CYS 27 27 25007 1 . GLU 28 28 25007 1 . VAL 29 29 25007 1 . SER 30 30 25007 1 . GLU 31 31 25007 1 . GLU 32 32 25007 1 . GLY 33 33 25007 1 . ALA 34 34 25007 1 . GLN 35 35 25007 1 . VAL 36 36 25007 1 . LYS 37 37 25007 1 . TRP 38 38 25007 1 . LEU 39 39 25007 1 . LYS 40 40 25007 1 . ASP 41 41 25007 1 . GLY 42 42 25007 1 . VAL 43 43 25007 1 . GLU 44 44 25007 1 . LEU 45 45 25007 1 . THR 46 46 25007 1 . ARG 47 47 25007 1 . GLU 48 48 25007 1 . GLU 49 49 25007 1 . THR 50 50 25007 1 . PHE 51 51 25007 1 . LYS 52 52 25007 1 . TYR 53 53 25007 1 . ARG 54 54 25007 1 . PHE 55 55 25007 1 . LYS 56 56 25007 1 . LYS 57 57 25007 1 . ASP 58 58 25007 1 . GLY 59 59 25007 1 . GLN 60 60 25007 1 . ARG 61 61 25007 1 . HIS 62 62 25007 1 . HIS 63 63 25007 1 . LEU 64 64 25007 1 . ILE 65 65 25007 1 . ILE 66 66 25007 1 . ASN 67 67 25007 1 . GLU 68 68 25007 1 . ALA 69 69 25007 1 . MET 70 70 25007 1 . LEU 71 71 25007 1 . GLU 72 72 25007 1 . ASP 73 73 25007 1 . ALA 74 74 25007 1 . GLY 75 75 25007 1 . HIS 76 76 25007 1 . TYR 77 77 25007 1 . ALA 78 78 25007 1 . LEU 79 79 25007 1 . CYS 80 80 25007 1 . THR 81 81 25007 1 . SER 82 82 25007 1 . GLY 83 83 25007 1 . GLY 84 84 25007 1 . GLN 85 85 25007 1 . ALA 86 86 25007 1 . LEU 87 87 25007 1 . ALA 88 88 25007 1 . GLU 89 89 25007 1 . LEU 90 90 25007 1 . ILE 91 91 25007 1 . VAL 92 92 25007 1 . GLN 93 93 25007 1 . GLU 94 94 25007 1 . LYS 95 95 25007 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 25007 _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' Humann . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25007 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 25007 _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 . . . . . . 25007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25007 _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 . . . . 25007 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25007 1 3 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 25007 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25007 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25007 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 25007 _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 25007 1 pH 6.5 . pH 25007 1 pressure 1 . atm 25007 1 'ionic strength' 0.4 . M 25007 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25007 _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 . . 25007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25007 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25007 _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' . . 25007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25007 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25007 _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' . . 25007 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25007 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 25007 _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 25007 _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 25007 _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 . . . 25007 1 2 spectrometer_2 Bruker Avance . 600 . . . 25007 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 25007 _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 . . . . . . . . . . . . . . . . 25007 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25007 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 25007 _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 . . . . . . . . . 25007 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144954 . . . . . . . . . 25007 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132916 . . . . . . . . . 25007 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 25007 _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' . . . 25007 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 4.656 0.008 . 1 . . . . 451 HIS HA . 25007 1 2 . 1 1 3 3 HIS HB2 H 1 3.106 0 . 2 . . . . 451 HIS HB2 . 25007 1 3 . 1 1 3 3 HIS HB3 H 1 3.184 0.006 . 2 . . . . 451 HIS HB3 . 25007 1 4 . 1 1 3 3 HIS HD2 H 1 6.983 0.004 . 1 . . . . 451 HIS HD2 . 25007 1 5 . 1 1 3 3 HIS HE1 H 1 8.078 0 . 1 . . . . 451 HIS HE1 . 25007 1 6 . 1 1 3 3 HIS C C 13 174.793 0.006 . 1 . . . . 451 HIS C . 25007 1 7 . 1 1 3 3 HIS CA C 13 55.947 0.173 . 1 . . . . 451 HIS CA . 25007 1 8 . 1 1 3 3 HIS CB C 13 29.903 0.146 . 1 . . . . 451 HIS CB . 25007 1 9 . 1 1 3 3 HIS CD2 C 13 119.779 0.005 . 1 . . . . 451 HIS CD2 . 25007 1 10 . 1 1 3 3 HIS CE1 C 13 137.682 0 . 1 . . . . 451 HIS CE1 . 25007 1 11 . 1 1 4 4 MET H H 1 8.342 0.003 . 1 . . . . 452 MET H . 25007 1 12 . 1 1 4 4 MET HE1 H 1 2.111 0 . 1 . . . . 452 MET QE . 25007 1 13 . 1 1 4 4 MET HE2 H 1 2.111 0 . 1 . . . . 452 MET QE . 25007 1 14 . 1 1 4 4 MET HE3 H 1 2.111 0 . 1 . . . . 452 MET QE . 25007 1 15 . 1 1 4 4 MET C C 13 173.991 0 . 1 . . . . 452 MET C . 25007 1 16 . 1 1 4 4 MET CA C 13 53.192 0 . 1 . . . . 452 MET CA . 25007 1 17 . 1 1 4 4 MET CB C 13 31.977 0 . 1 . . . . 452 MET CB . 25007 1 18 . 1 1 4 4 MET CE C 13 17.711 0 . 1 . . . . 452 MET CE . 25007 1 19 . 1 1 4 4 MET N N 15 123.193 0.03 . 1 . . . . 452 MET N . 25007 1 20 . 1 1 5 5 PRO HA H 1 4.293 0.007 . 1 . . . . 453 PRO HA . 25007 1 21 . 1 1 5 5 PRO HB2 H 1 1.641 0.006 . 1 . . . . 453 PRO HB2 . 25007 1 22 . 1 1 5 5 PRO HB3 H 1 2.136 0.002 . 1 . . . . 453 PRO HB3 . 25007 1 23 . 1 1 5 5 PRO HG2 H 1 1.999 0.01 . 2 . . . . 453 PRO QG . 25007 1 24 . 1 1 5 5 PRO HG3 H 1 1.999 0.01 . 2 . . . . 453 PRO QG . 25007 1 25 . 1 1 5 5 PRO HD2 H 1 3.65 0.004 . 2 . . . . 453 PRO HD2 . 25007 1 26 . 1 1 5 5 PRO HD3 H 1 3.798 0.004 . 2 . . . . 453 PRO HD3 . 25007 1 27 . 1 1 5 5 PRO C C 13 175.733 0.001 . 1 . . . . 453 PRO C . 25007 1 28 . 1 1 5 5 PRO CA C 13 62.734 0.103 . 1 . . . . 453 PRO CA . 25007 1 29 . 1 1 5 5 PRO CB C 13 32.139 0.082 . 1 . . . . 453 PRO CB . 25007 1 30 . 1 1 5 5 PRO CG C 13 27.201 0.05 . 1 . . . . 453 PRO CG . 25007 1 31 . 1 1 5 5 PRO CD C 13 50.434 0.078 . 1 . . . . 453 PRO CD . 25007 1 32 . 1 1 6 6 VAL H H 1 7.799 0.005 . 1 . . . . 454 VAL H . 25007 1 33 . 1 1 6 6 VAL HA H 1 3.732 0.006 . 1 . . . . 454 VAL HA . 25007 1 34 . 1 1 6 6 VAL HB H 1 2.079 0.008 . 1 . . . . 454 VAL HB . 25007 1 35 . 1 1 6 6 VAL HG11 H 1 0.917 0.001 . 2 . . . . 454 VAL QG1 . 25007 1 36 . 1 1 6 6 VAL HG12 H 1 0.917 0.001 . 2 . . . . 454 VAL QG1 . 25007 1 37 . 1 1 6 6 VAL HG13 H 1 0.917 0.001 . 2 . . . . 454 VAL QG1 . 25007 1 38 . 1 1 6 6 VAL HG21 H 1 0.935 0.008 . 2 . . . . 454 VAL QG2 . 25007 1 39 . 1 1 6 6 VAL HG22 H 1 0.935 0.008 . 2 . . . . 454 VAL QG2 . 25007 1 40 . 1 1 6 6 VAL HG23 H 1 0.935 0.008 . 2 . . . . 454 VAL QG2 . 25007 1 41 . 1 1 6 6 VAL C C 13 175.296 0 . 1 . . . . 454 VAL C . 25007 1 42 . 1 1 6 6 VAL CA C 13 63.126 0.098 . 1 . . . . 454 VAL CA . 25007 1 43 . 1 1 6 6 VAL CB C 13 32.085 0.168 . 1 . . . . 454 VAL CB . 25007 1 44 . 1 1 6 6 VAL CG1 C 13 21.794 0.015 . 1 . . . . 454 VAL CG1 . 25007 1 45 . 1 1 6 6 VAL CG2 C 13 21.689 0.019 . 1 . . . . 454 VAL CG2 . 25007 1 46 . 1 1 6 6 VAL N N 15 122.227 0.033 . 1 . . . . 454 VAL N . 25007 1 47 . 1 1 7 7 LEU H H 1 8.571 0.007 . 1 . . . . 455 LEU H . 25007 1 48 . 1 1 7 7 LEU HA H 1 4.435 0.003 . 1 . . . . 455 LEU HA . 25007 1 49 . 1 1 7 7 LEU HB2 H 1 1.45 0.006 . 2 . . . . 455 LEU QB . 25007 1 50 . 1 1 7 7 LEU HB3 H 1 1.45 0.006 . 2 . . . . 455 LEU QB . 25007 1 51 . 1 1 7 7 LEU HG H 1 1.584 0.004 . 1 . . . . 455 LEU HG . 25007 1 52 . 1 1 7 7 LEU HD11 H 1 0.731 0.001 . 2 . . . . 455 LEU QD1 . 25007 1 53 . 1 1 7 7 LEU HD12 H 1 0.731 0.001 . 2 . . . . 455 LEU QD1 . 25007 1 54 . 1 1 7 7 LEU HD13 H 1 0.731 0.001 . 2 . . . . 455 LEU QD1 . 25007 1 55 . 1 1 7 7 LEU HD21 H 1 0.849 0.009 . 2 . . . . 455 LEU QD2 . 25007 1 56 . 1 1 7 7 LEU HD22 H 1 0.849 0.009 . 2 . . . . 455 LEU QD2 . 25007 1 57 . 1 1 7 7 LEU HD23 H 1 0.849 0.009 . 2 . . . . 455 LEU QD2 . 25007 1 58 . 1 1 7 7 LEU C C 13 176.294 0.004 . 1 . . . . 455 LEU C . 25007 1 59 . 1 1 7 7 LEU CA C 13 52.797 0.151 . 1 . . . . 455 LEU CA . 25007 1 60 . 1 1 7 7 LEU CB C 13 43.631 0.11 . 1 . . . . 455 LEU CB . 25007 1 61 . 1 1 7 7 LEU CG C 13 26.961 0.083 . 1 . . . . 455 LEU CG . 25007 1 62 . 1 1 7 7 LEU CD1 C 13 22.509 0.081 . 1 . . . . 455 LEU CD1 . 25007 1 63 . 1 1 7 7 LEU CD2 C 13 24.827 0.198 . 1 . . . . 455 LEU CD2 . 25007 1 64 . 1 1 7 7 LEU N N 15 129.419 0.03 . 1 . . . . 455 LEU N . 25007 1 65 . 1 1 8 8 ILE H H 1 8.507 0.003 . 1 . . . . 456 ILE H . 25007 1 66 . 1 1 8 8 ILE HA H 1 4.229 0.011 . 1 . . . . 456 ILE HA . 25007 1 67 . 1 1 8 8 ILE HB H 1 1.841 0.004 . 1 . . . . 456 ILE HB . 25007 1 68 . 1 1 8 8 ILE HG12 H 1 1.275 0.003 . 1 . . . . 456 ILE HG12 . 25007 1 69 . 1 1 8 8 ILE HG13 H 1 0.984 0.003 . 1 . . . . 456 ILE HG13 . 25007 1 70 . 1 1 8 8 ILE HG21 H 1 0.726 0.003 . 1 . . . . 456 ILE QG2 . 25007 1 71 . 1 1 8 8 ILE HG22 H 1 0.726 0.003 . 1 . . . . 456 ILE QG2 . 25007 1 72 . 1 1 8 8 ILE HG23 H 1 0.726 0.003 . 1 . . . . 456 ILE QG2 . 25007 1 73 . 1 1 8 8 ILE HD11 H 1 0.572 0.009 . 1 . . . . 456 ILE QD1 . 25007 1 74 . 1 1 8 8 ILE HD12 H 1 0.572 0.009 . 1 . . . . 456 ILE QD1 . 25007 1 75 . 1 1 8 8 ILE HD13 H 1 0.572 0.009 . 1 . . . . 456 ILE QD1 . 25007 1 76 . 1 1 8 8 ILE C C 13 176.619 0.003 . 1 . . . . 456 ILE C . 25007 1 77 . 1 1 8 8 ILE CA C 13 60.78 0.012 . 1 . . . . 456 ILE CA . 25007 1 78 . 1 1 8 8 ILE CB C 13 36.796 0.05 . 1 . . . . 456 ILE CB . 25007 1 79 . 1 1 8 8 ILE CG1 C 13 27.792 0.003 . 1 . . . . 456 ILE CG1 . 25007 1 80 . 1 1 8 8 ILE CG2 C 13 18.057 0.059 . 1 . . . . 456 ILE CG2 . 25007 1 81 . 1 1 8 8 ILE CD1 C 13 12.755 0.068 . 1 . . . . 456 ILE CD1 . 25007 1 82 . 1 1 8 8 ILE N N 15 120.867 0.034 . 1 . . . . 456 ILE N . 25007 1 83 . 1 1 9 9 THR H H 1 8.657 0.004 . 1 . . . . 457 THR H . 25007 1 84 . 1 1 9 9 THR HA H 1 4.285 0.004 . 1 . . . . 457 THR HA . 25007 1 85 . 1 1 9 9 THR HB H 1 4.098 0.003 . 1 . . . . 457 THR HB . 25007 1 86 . 1 1 9 9 THR HG21 H 1 0.94 0.002 . 1 . . . . 457 THR QG2 . 25007 1 87 . 1 1 9 9 THR HG22 H 1 0.94 0.002 . 1 . . . . 457 THR QG2 . 25007 1 88 . 1 1 9 9 THR HG23 H 1 0.94 0.002 . 1 . . . . 457 THR QG2 . 25007 1 89 . 1 1 9 9 THR C C 13 175.963 0.007 . 1 . . . . 457 THR C . 25007 1 90 . 1 1 9 9 THR CA C 13 62.753 0.077 . 1 . . . . 457 THR CA . 25007 1 91 . 1 1 9 9 THR CB C 13 67.879 0.066 . 1 . . . . 457 THR CB . 25007 1 92 . 1 1 9 9 THR CG2 C 13 22.661 0.07 . 1 . . . . 457 THR CG2 . 25007 1 93 . 1 1 9 9 THR N N 15 120.915 0.049 . 1 . . . . 457 THR N . 25007 1 94 . 1 1 10 10 ARG H H 1 7.552 0.004 . 1 . . . . 458 ARG H . 25007 1 95 . 1 1 10 10 ARG HA H 1 4.923 0.001 . 1 . . . . 458 ARG HA . 25007 1 96 . 1 1 10 10 ARG HB2 H 1 1.823 0.003 . 2 . . . . 458 ARG HB2 . 25007 1 97 . 1 1 10 10 ARG HB3 H 1 1.732 0.002 . 2 . . . . 458 ARG HB3 . 25007 1 98 . 1 1 10 10 ARG HG2 H 1 1.648 0.005 . 2 . . . . 458 ARG QG . 25007 1 99 . 1 1 10 10 ARG HG3 H 1 1.648 0.005 . 2 . . . . 458 ARG QG . 25007 1 100 . 1 1 10 10 ARG HD2 H 1 3.166 0.006 . 2 . . . . 458 ARG QD . 25007 1 101 . 1 1 10 10 ARG HD3 H 1 3.166 0.006 . 2 . . . . 458 ARG QD . 25007 1 102 . 1 1 10 10 ARG C C 13 173.213 0 . 1 . . . . 458 ARG C . 25007 1 103 . 1 1 10 10 ARG CA C 13 53.918 0.023 . 1 . . . . 458 ARG CA . 25007 1 104 . 1 1 10 10 ARG CB C 13 32.559 0 . 1 . . . . 458 ARG CB . 25007 1 105 . 1 1 10 10 ARG CG C 13 27.149 0.061 . 1 . . . . 458 ARG CG . 25007 1 106 . 1 1 10 10 ARG CD C 13 43.396 0.054 . 1 . . . . 458 ARG CD . 25007 1 107 . 1 1 10 10 ARG N N 15 122.699 0.022 . 1 . . . . 458 ARG N . 25007 1 108 . 1 1 11 11 PRO HA H 1 4.298 0.008 . 1 . . . . 459 PRO HA . 25007 1 109 . 1 1 11 11 PRO HB2 H 1 2.343 0.008 . 2 . . . . 459 PRO QB . 25007 1 110 . 1 1 11 11 PRO HB3 H 1 2.343 0.008 . 2 . . . . 459 PRO QB . 25007 1 111 . 1 1 11 11 PRO HG2 H 1 2.069 0.033 . 1 . . . . 459 PRO HG2 . 25007 1 112 . 1 1 11 11 PRO HG3 H 1 1.998 0.001 . 1 . . . . 459 PRO HG3 . 25007 1 113 . 1 1 11 11 PRO HD2 H 1 3.426 0 . 2 . . . . 459 PRO QD . 25007 1 114 . 1 1 11 11 PRO HD3 H 1 3.426 0 . 2 . . . . 459 PRO QD . 25007 1 115 . 1 1 11 11 PRO C C 13 175.741 0.003 . 1 . . . . 459 PRO C . 25007 1 116 . 1 1 11 11 PRO CA C 13 62.575 0.058 . 1 . . . . 459 PRO CA . 25007 1 117 . 1 1 11 11 PRO CB C 13 32.551 0.135 . 1 . . . . 459 PRO CB . 25007 1 118 . 1 1 11 11 PRO CG C 13 26.319 0.059 . 1 . . . . 459 PRO CG . 25007 1 119 . 1 1 11 11 PRO CD C 13 51.007 0 . 1 . . . . 459 PRO CD . 25007 1 120 . 1 1 12 12 LEU H H 1 6.157 0.007 . 1 . . . . 460 LEU H . 25007 1 121 . 1 1 12 12 LEU HA H 1 4.563 0.004 . 1 . . . . 460 LEU HA . 25007 1 122 . 1 1 12 12 LEU HB2 H 1 1.556 0.015 . 2 . . . . 460 LEU QB . 25007 1 123 . 1 1 12 12 LEU HB3 H 1 1.556 0.015 . 2 . . . . 460 LEU QB . 25007 1 124 . 1 1 12 12 LEU HG H 1 1.563 0.005 . 1 . . . . 460 LEU HG . 25007 1 125 . 1 1 12 12 LEU HD11 H 1 1.073 0.004 . 2 . . . . 460 LEU QD1 . 25007 1 126 . 1 1 12 12 LEU HD12 H 1 1.073 0.004 . 2 . . . . 460 LEU QD1 . 25007 1 127 . 1 1 12 12 LEU HD13 H 1 1.073 0.004 . 2 . . . . 460 LEU QD1 . 25007 1 128 . 1 1 12 12 LEU HD21 H 1 0.745 0.004 . 2 . . . . 460 LEU QD2 . 25007 1 129 . 1 1 12 12 LEU HD22 H 1 0.745 0.004 . 2 . . . . 460 LEU QD2 . 25007 1 130 . 1 1 12 12 LEU HD23 H 1 0.745 0.004 . 2 . . . . 460 LEU QD2 . 25007 1 131 . 1 1 12 12 LEU C C 13 176.142 0.011 . 1 . . . . 460 LEU C . 25007 1 132 . 1 1 12 12 LEU CA C 13 55.013 0.12 . 1 . . . . 460 LEU CA . 25007 1 133 . 1 1 12 12 LEU CB C 13 45.292 0.148 . 1 . . . . 460 LEU CB . 25007 1 134 . 1 1 12 12 LEU CG C 13 27.059 0.119 . 1 . . . . 460 LEU CG . 25007 1 135 . 1 1 12 12 LEU CD1 C 13 24.398 0.161 . 2 . . . . 460 LEU CD1 . 25007 1 136 . 1 1 12 12 LEU CD2 C 13 25.824 0.139 . 2 . . . . 460 LEU CD2 . 25007 1 137 . 1 1 12 12 LEU N N 15 115.474 0.024 . 1 . . . . 460 LEU N . 25007 1 138 . 1 1 13 13 GLU H H 1 8.387 0.004 . 1 . . . . 461 GLU H . 25007 1 139 . 1 1 13 13 GLU HA H 1 4.795 0 . 1 . . . . 461 GLU HA . 25007 1 140 . 1 1 13 13 GLU HB2 H 1 1.872 0 . 1 . . . . 461 GLU HB2 . 25007 1 141 . 1 1 13 13 GLU HB3 H 1 2.209 0 . 1 . . . . 461 GLU HB3 . 25007 1 142 . 1 1 13 13 GLU HG2 H 1 2.369 0 . 2 . . . . 461 GLU QG . 25007 1 143 . 1 1 13 13 GLU HG3 H 1 2.369 0 . 2 . . . . 461 GLU QG . 25007 1 144 . 1 1 13 13 GLU C C 13 175.54 0 . 1 . . . . 461 GLU C . 25007 1 145 . 1 1 13 13 GLU CA C 13 54.657 0.096 . 1 . . . . 461 GLU CA . 25007 1 146 . 1 1 13 13 GLU CB C 13 32.6 0.002 . 1 . . . . 461 GLU CB . 25007 1 147 . 1 1 13 13 GLU CG C 13 35.913 0 . 1 . . . . 461 GLU CG . 25007 1 148 . 1 1 13 13 GLU N N 15 120.613 0.037 . 1 . . . . 461 GLU N . 25007 1 149 . 1 1 14 14 ASP H H 1 8.599 0.003 . 1 . . . . 462 ASP H . 25007 1 150 . 1 1 14 14 ASP HA H 1 5.031 0.005 . 1 . . . . 462 ASP HA . 25007 1 151 . 1 1 14 14 ASP HB2 H 1 2.619 0.006 . 1 . . . . 462 ASP HB2 . 25007 1 152 . 1 1 14 14 ASP HB3 H 1 3.021 0.012 . 1 . . . . 462 ASP HB3 . 25007 1 153 . 1 1 14 14 ASP C C 13 176.359 0.005 . 1 . . . . 462 ASP C . 25007 1 154 . 1 1 14 14 ASP CA C 13 55.433 0.124 . 1 . . . . 462 ASP CA . 25007 1 155 . 1 1 14 14 ASP CB C 13 41.069 0.095 . 1 . . . . 462 ASP CB . 25007 1 156 . 1 1 14 14 ASP N N 15 122.579 0.019 . 1 . . . . 462 ASP N . 25007 1 157 . 1 1 15 15 GLN H H 1 8.755 0.004 . 1 . . . . 463 GLN H . 25007 1 158 . 1 1 15 15 GLN HA H 1 4.667 0.007 . 1 . . . . 463 GLN HA . 25007 1 159 . 1 1 15 15 GLN HB2 H 1 1.483 0.006 . 1 . . . . 463 GLN HB2 . 25007 1 160 . 1 1 15 15 GLN HB3 H 1 2.215 0.006 . 1 . . . . 463 GLN HB3 . 25007 1 161 . 1 1 15 15 GLN HG2 H 1 1.807 0.004 . 2 . . . . 463 GLN QG . 25007 1 162 . 1 1 15 15 GLN HG3 H 1 1.807 0.004 . 2 . . . . 463 GLN QG . 25007 1 163 . 1 1 15 15 GLN HE21 H 1 6.749 0.002 . 1 . . . . 463 GLN HE21 . 25007 1 164 . 1 1 15 15 GLN HE22 H 1 6.549 0.003 . 1 . . . . 463 GLN HE22 . 25007 1 165 . 1 1 15 15 GLN C C 13 173.563 0.002 . 1 . . . . 463 GLN C . 25007 1 166 . 1 1 15 15 GLN CA C 13 54.227 0.087 . 1 . . . . 463 GLN CA . 25007 1 167 . 1 1 15 15 GLN CB C 13 33.204 0.154 . 1 . . . . 463 GLN CB . 25007 1 168 . 1 1 15 15 GLN CG C 13 32.983 0 . 1 . . . . 463 GLN CG . 25007 1 169 . 1 1 15 15 GLN N N 15 117.028 0.045 . 1 . . . . 463 GLN N . 25007 1 170 . 1 1 15 15 GLN NE2 N 15 113.281 0.03 . 1 . . . . 463 GLN NE2 . 25007 1 171 . 1 1 16 16 LEU H H 1 8.415 0.005 . 1 . . . . 464 LEU H . 25007 1 172 . 1 1 16 16 LEU HA H 1 5.307 0.007 . 1 . . . . 464 LEU HA . 25007 1 173 . 1 1 16 16 LEU HB2 H 1 1.464 0.011 . 1 . . . . 464 LEU HB2 . 25007 1 174 . 1 1 16 16 LEU HB3 H 1 1.656 0.012 . 1 . . . . 464 LEU HB3 . 25007 1 175 . 1 1 16 16 LEU HG H 1 1.372 0.004 . 1 . . . . 464 LEU HG . 25007 1 176 . 1 1 16 16 LEU HD11 H 1 0.831 0.008 . 2 . . . . 464 LEU QD1 . 25007 1 177 . 1 1 16 16 LEU HD12 H 1 0.831 0.008 . 2 . . . . 464 LEU QD1 . 25007 1 178 . 1 1 16 16 LEU HD13 H 1 0.831 0.008 . 2 . . . . 464 LEU QD1 . 25007 1 179 . 1 1 16 16 LEU HD21 H 1 0.763 0.01 . 2 . . . . 464 LEU QD2 . 25007 1 180 . 1 1 16 16 LEU HD22 H 1 0.763 0.01 . 2 . . . . 464 LEU QD2 . 25007 1 181 . 1 1 16 16 LEU HD23 H 1 0.763 0.01 . 2 . . . . 464 LEU QD2 . 25007 1 182 . 1 1 16 16 LEU C C 13 175.838 0.003 . 1 . . . . 464 LEU C . 25007 1 183 . 1 1 16 16 LEU CA C 13 54.667 0.101 . 1 . . . . 464 LEU CA . 25007 1 184 . 1 1 16 16 LEU CB C 13 44.018 0.063 . 1 . . . . 464 LEU CB . 25007 1 185 . 1 1 16 16 LEU CG C 13 27.874 0.058 . 1 . . . . 464 LEU CG . 25007 1 186 . 1 1 16 16 LEU CD1 C 13 24.995 0.126 . 2 . . . . 464 LEU CD1 . 25007 1 187 . 1 1 16 16 LEU CD2 C 13 24.619 0.052 . 2 . . . . 464 LEU CD2 . 25007 1 188 . 1 1 16 16 LEU N N 15 127.581 0.033 . 1 . . . . 464 LEU N . 25007 1 189 . 1 1 17 17 VAL H H 1 8.695 0.01 . 1 . . . . 465 VAL H . 25007 1 190 . 1 1 17 17 VAL HA H 1 4.774 0.007 . 1 . . . . 465 VAL HA . 25007 1 191 . 1 1 17 17 VAL HB H 1 2.183 0.008 . 1 . . . . 465 VAL HB . 25007 1 192 . 1 1 17 17 VAL HG11 H 1 0.796 0.003 . 2 . . . . 465 VAL QG1 . 25007 1 193 . 1 1 17 17 VAL HG12 H 1 0.796 0.003 . 2 . . . . 465 VAL QG1 . 25007 1 194 . 1 1 17 17 VAL HG13 H 1 0.796 0.003 . 2 . . . . 465 VAL QG1 . 25007 1 195 . 1 1 17 17 VAL HG21 H 1 0.654 0.004 . 2 . . . . 465 VAL QG2 . 25007 1 196 . 1 1 17 17 VAL HG22 H 1 0.654 0.004 . 2 . . . . 465 VAL QG2 . 25007 1 197 . 1 1 17 17 VAL HG23 H 1 0.654 0.004 . 2 . . . . 465 VAL QG2 . 25007 1 198 . 1 1 17 17 VAL C C 13 173.711 0.001 . 1 . . . . 465 VAL C . 25007 1 199 . 1 1 17 17 VAL CA C 13 58.517 0.081 . 1 . . . . 465 VAL CA . 25007 1 200 . 1 1 17 17 VAL CB C 13 36.11 0.131 . 1 . . . . 465 VAL CB . 25007 1 201 . 1 1 17 17 VAL CG1 C 13 21.254 0.075 . 1 . . . . 465 VAL CG1 . 25007 1 202 . 1 1 17 17 VAL CG2 C 13 19.252 0.064 . 1 . . . . 465 VAL CG2 . 25007 1 203 . 1 1 17 17 VAL N N 15 119.279 0.04 . 1 . . . . 465 VAL N . 25007 1 204 . 1 1 18 18 MET H H 1 8.073 0.005 . 1 . . . . 466 MET H . 25007 1 205 . 1 1 18 18 MET HA H 1 5.247 0.005 . 1 . . . . 466 MET HA . 25007 1 206 . 1 1 18 18 MET HB2 H 1 1.804 0.012 . 1 . . . . 466 MET HB2 . 25007 1 207 . 1 1 18 18 MET HB3 H 1 2.012 0.007 . 1 . . . . 466 MET HB3 . 25007 1 208 . 1 1 18 18 MET HG2 H 1 2.643 0.007 . 2 . . . . 466 MET HG2 . 25007 1 209 . 1 1 18 18 MET HG3 H 1 2.519 0.004 . 2 . . . . 466 MET HG3 . 25007 1 210 . 1 1 18 18 MET HE1 H 1 1.977 0 . 1 . . . . 466 MET QE . 25007 1 211 . 1 1 18 18 MET HE2 H 1 1.977 0 . 1 . . . . 466 MET QE . 25007 1 212 . 1 1 18 18 MET HE3 H 1 1.977 0 . 1 . . . . 466 MET QE . 25007 1 213 . 1 1 18 18 MET C C 13 176.491 0.002 . 1 . . . . 466 MET C . 25007 1 214 . 1 1 18 18 MET CA C 13 52.783 0.08 . 1 . . . . 466 MET CA . 25007 1 215 . 1 1 18 18 MET CB C 13 33.609 0.025 . 1 . . . . 466 MET CB . 25007 1 216 . 1 1 18 18 MET CG C 13 31.999 0 . 1 . . . . 466 MET CG . 25007 1 217 . 1 1 18 18 MET CE C 13 16.97 0 . 1 . . . . 466 MET CE . 25007 1 218 . 1 1 18 18 MET N N 15 119.214 0.048 . 1 . . . . 466 MET N . 25007 1 219 . 1 1 19 19 VAL H H 1 7.891 0.003 . 1 . . . . 467 VAL H . 25007 1 220 . 1 1 19 19 VAL HA H 1 3.42 0.006 . 1 . . . . 467 VAL HA . 25007 1 221 . 1 1 19 19 VAL HB H 1 1.929 0.005 . 1 . . . . 467 VAL HB . 25007 1 222 . 1 1 19 19 VAL HG11 H 1 1.002 0.004 . 2 . . . . 467 VAL QG1 . 25007 1 223 . 1 1 19 19 VAL HG12 H 1 1.002 0.004 . 2 . . . . 467 VAL QG1 . 25007 1 224 . 1 1 19 19 VAL HG13 H 1 1.002 0.004 . 2 . . . . 467 VAL QG1 . 25007 1 225 . 1 1 19 19 VAL HG21 H 1 1.051 0.003 . 2 . . . . 467 VAL QG2 . 25007 1 226 . 1 1 19 19 VAL HG22 H 1 1.051 0.003 . 2 . . . . 467 VAL QG2 . 25007 1 227 . 1 1 19 19 VAL HG23 H 1 1.051 0.003 . 2 . . . . 467 VAL QG2 . 25007 1 228 . 1 1 19 19 VAL C C 13 176.899 0.006 . 1 . . . . 467 VAL C . 25007 1 229 . 1 1 19 19 VAL CA C 13 64.475 0.058 . 1 . . . . 467 VAL CA . 25007 1 230 . 1 1 19 19 VAL CB C 13 32.18 0.08 . 1 . . . . 467 VAL CB . 25007 1 231 . 1 1 19 19 VAL CG1 C 13 23.215 0.089 . 2 . . . . 467 VAL CG1 . 25007 1 232 . 1 1 19 19 VAL CG2 C 13 21.302 0.089 . 2 . . . . 467 VAL CG2 . 25007 1 233 . 1 1 19 19 VAL N N 15 119.566 0.023 . 1 . . . . 467 VAL N . 25007 1 234 . 1 1 20 20 GLY H H 1 9.784 0.005 . 1 . . . . 468 GLY H . 25007 1 235 . 1 1 20 20 GLY HA2 H 1 4.401 0.011 . 1 . . . . 468 GLY HA2 . 25007 1 236 . 1 1 20 20 GLY HA3 H 1 3.476 0.009 . 1 . . . . 468 GLY HA3 . 25007 1 237 . 1 1 20 20 GLY C C 13 174.446 0.005 . 1 . . . . 468 GLY C . 25007 1 238 . 1 1 20 20 GLY CA C 13 44.69 0.069 . 1 . . . . 468 GLY CA . 25007 1 239 . 1 1 20 20 GLY N N 15 115.391 0.014 . 1 . . . . 468 GLY N . 25007 1 240 . 1 1 21 21 GLN H H 1 7.948 0.003 . 1 . . . . 469 GLN H . 25007 1 241 . 1 1 21 21 GLN HA H 1 4.396 0.008 . 1 . . . . 469 GLN HA . 25007 1 242 . 1 1 21 21 GLN HB2 H 1 2.124 0.011 . 1 . . . . 469 GLN HB2 . 25007 1 243 . 1 1 21 21 GLN HB3 H 1 2.26 0.012 . 1 . . . . 469 GLN HB3 . 25007 1 244 . 1 1 21 21 GLN HG2 H 1 2.45 0.004 . 2 . . . . 469 GLN QG . 25007 1 245 . 1 1 21 21 GLN HG3 H 1 2.45 0.004 . 2 . . . . 469 GLN QG . 25007 1 246 . 1 1 21 21 GLN HE21 H 1 7.71 0.002 . 1 . . . . 469 GLN HE21 . 25007 1 247 . 1 1 21 21 GLN HE22 H 1 7.008 0.003 . 1 . . . . 469 GLN HE22 . 25007 1 248 . 1 1 21 21 GLN C C 13 174.534 0.004 . 1 . . . . 469 GLN C . 25007 1 249 . 1 1 21 21 GLN CA C 13 55.882 0.139 . 1 . . . . 469 GLN CA . 25007 1 250 . 1 1 21 21 GLN CB C 13 30.33 0.085 . 1 . . . . 469 GLN CB . 25007 1 251 . 1 1 21 21 GLN CG C 13 34.732 0.069 . 1 . . . . 469 GLN CG . 25007 1 252 . 1 1 21 21 GLN N N 15 120.312 0.024 . 1 . . . . 469 GLN N . 25007 1 253 . 1 1 21 21 GLN NE2 N 15 113.219 0.024 . 1 . . . . 469 GLN NE2 . 25007 1 254 . 1 1 22 22 ARG H H 1 8.133 0.004 . 1 . . . . 470 ARG H . 25007 1 255 . 1 1 22 22 ARG HA H 1 4.559 0.006 . 1 . . . . 470 ARG HA . 25007 1 256 . 1 1 22 22 ARG HB2 H 1 1.819 0 . 2 . . . . 470 ARG QB . 25007 1 257 . 1 1 22 22 ARG HB3 H 1 1.819 0 . 2 . . . . 470 ARG QB . 25007 1 258 . 1 1 22 22 ARG HG2 H 1 1.574 0 . 2 . . . . 470 ARG QG . 25007 1 259 . 1 1 22 22 ARG HG3 H 1 1.574 0 . 2 . . . . 470 ARG QG . 25007 1 260 . 1 1 22 22 ARG HD2 H 1 3.107 0.001 . 2 . . . . 470 ARG QD . 25007 1 261 . 1 1 22 22 ARG HD3 H 1 3.107 0.001 . 2 . . . . 470 ARG QD . 25007 1 262 . 1 1 22 22 ARG HE H 1 7.28 0.005 . 1 . . . . 470 ARG HE . 25007 1 263 . 1 1 22 22 ARG C C 13 175.944 0.007 . 1 . . . . 470 ARG C . 25007 1 264 . 1 1 22 22 ARG CA C 13 55.425 0.298 . 1 . . . . 470 ARG CA . 25007 1 265 . 1 1 22 22 ARG CB C 13 31.418 0.166 . 1 . . . . 470 ARG CB . 25007 1 266 . 1 1 22 22 ARG CG C 13 27.383 0.05 . 1 . . . . 470 ARG CG . 25007 1 267 . 1 1 22 22 ARG CD C 13 43.591 0.03 . 1 . . . . 470 ARG CD . 25007 1 268 . 1 1 22 22 ARG N N 15 122.876 0.044 . 1 . . . . 470 ARG N . 25007 1 269 . 1 1 22 22 ARG NE N 15 84.911 0.039 . 1 . . . . 470 ARG NE . 25007 1 270 . 1 1 23 23 VAL H H 1 8.809 0.007 . 1 . . . . 471 VAL H . 25007 1 271 . 1 1 23 23 VAL HA H 1 4.125 0.004 . 1 . . . . 471 VAL HA . 25007 1 272 . 1 1 23 23 VAL HB H 1 1.705 0.01 . 1 . . . . 471 VAL HB . 25007 1 273 . 1 1 23 23 VAL HG11 H 1 0.763 0.007 . 2 . . . . 471 VAL QG1 . 25007 1 274 . 1 1 23 23 VAL HG12 H 1 0.763 0.007 . 2 . . . . 471 VAL QG1 . 25007 1 275 . 1 1 23 23 VAL HG13 H 1 0.763 0.007 . 2 . . . . 471 VAL QG1 . 25007 1 276 . 1 1 23 23 VAL HG21 H 1 0.322 0.003 . 2 . . . . 471 VAL QG2 . 25007 1 277 . 1 1 23 23 VAL HG22 H 1 0.322 0.003 . 2 . . . . 471 VAL QG2 . 25007 1 278 . 1 1 23 23 VAL HG23 H 1 0.322 0.003 . 2 . . . . 471 VAL QG2 . 25007 1 279 . 1 1 23 23 VAL C C 13 173.258 0.005 . 1 . . . . 471 VAL C . 25007 1 280 . 1 1 23 23 VAL CA C 13 60.324 0.099 . 1 . . . . 471 VAL CA . 25007 1 281 . 1 1 23 23 VAL CB C 13 34.719 0.061 . 1 . . . . 471 VAL CB . 25007 1 282 . 1 1 23 23 VAL CG1 C 13 22.823 0.11 . 2 . . . . 471 VAL CG1 . 25007 1 283 . 1 1 23 23 VAL CG2 C 13 21.095 0.095 . 2 . . . . 471 VAL CG2 . 25007 1 284 . 1 1 23 23 VAL N N 15 126.868 0.084 . 1 . . . . 471 VAL N . 25007 1 285 . 1 1 24 24 GLU H H 1 8.65 0.004 . 1 . . . . 472 GLU H . 25007 1 286 . 1 1 24 24 GLU HA H 1 5.064 0.06 . 1 . . . . 472 GLU HA . 25007 1 287 . 1 1 24 24 GLU HB2 H 1 1.852 0 . 2 . . . . 472 GLU QB . 25007 1 288 . 1 1 24 24 GLU HB3 H 1 1.852 0 . 2 . . . . 472 GLU QB . 25007 1 289 . 1 1 24 24 GLU HG2 H 1 1.684 0.028 . 1 . . . . 472 GLU HG2 . 25007 1 290 . 1 1 24 24 GLU HG3 H 1 1.961 0.057 . 1 . . . . 472 GLU HG3 . 25007 1 291 . 1 1 24 24 GLU C C 13 175.149 0.018 . 1 . . . . 472 GLU C . 25007 1 292 . 1 1 24 24 GLU CA C 13 54.581 0.111 . 1 . . . . 472 GLU CA . 25007 1 293 . 1 1 24 24 GLU CB C 13 32.264 0.359 . 1 . . . . 472 GLU CB . 25007 1 294 . 1 1 24 24 GLU CG C 13 36.475 0.168 . 1 . . . . 472 GLU CG . 25007 1 295 . 1 1 24 24 GLU N N 15 126.535 0.048 . 1 . . . . 472 GLU N . 25007 1 296 . 1 1 25 25 PHE H H 1 9.269 0.005 . 1 . . . . 473 PHE H . 25007 1 297 . 1 1 25 25 PHE HA H 1 4.731 0.005 . 1 . . . . 473 PHE HA . 25007 1 298 . 1 1 25 25 PHE HB2 H 1 2.797 0.001 . 1 . . . . 473 PHE HB2 . 25007 1 299 . 1 1 25 25 PHE HB3 H 1 3.193 0.003 . 1 . . . . 473 PHE HB3 . 25007 1 300 . 1 1 25 25 PHE HD1 H 1 7.032 0.003 . 3 . . . . 473 PHE HD1 . 25007 1 301 . 1 1 25 25 PHE HD2 H 1 7.029 0.005 . 3 . . . . 473 PHE HD2 . 25007 1 302 . 1 1 25 25 PHE HE1 H 1 6.711 0.01 . 3 . . . . 473 PHE HE1 . 25007 1 303 . 1 1 25 25 PHE HE2 H 1 6.703 0.006 . 3 . . . . 473 PHE HE2 . 25007 1 304 . 1 1 25 25 PHE HZ H 1 6.726 0.003 . 1 . . . . 473 PHE HZ . 25007 1 305 . 1 1 25 25 PHE C C 13 175.039 0.001 . 1 . . . . 473 PHE C . 25007 1 306 . 1 1 25 25 PHE CA C 13 57.568 0.109 . 1 . . . . 473 PHE CA . 25007 1 307 . 1 1 25 25 PHE CB C 13 41.957 0.102 . 1 . . . . 473 PHE CB . 25007 1 308 . 1 1 25 25 PHE CD1 C 13 131.243 0.018 . 3 . . . . 473 PHE CD1 . 25007 1 309 . 1 1 25 25 PHE CD2 C 13 131.295 0 . 3 . . . . 473 PHE CD2 . 25007 1 310 . 1 1 25 25 PHE CE1 C 13 128.296 0.047 . 3 . . . . 473 PHE CE1 . 25007 1 311 . 1 1 25 25 PHE CE2 C 13 128.412 0.02 . 3 . . . . 473 PHE CE2 . 25007 1 312 . 1 1 25 25 PHE CZ C 13 131.08 0.091 . 1 . . . . 473 PHE CZ . 25007 1 313 . 1 1 25 25 PHE N N 15 125.481 0.185 . 1 . . . . 473 PHE N . 25007 1 314 . 1 1 26 26 GLU H H 1 8.464 0.003 . 1 . . . . 474 GLU H . 25007 1 315 . 1 1 26 26 GLU HA H 1 5.345 0.02 . 1 . . . . 474 GLU HA . 25007 1 316 . 1 1 26 26 GLU HB2 H 1 1.67 0.017 . 2 . . . . 474 GLU QB . 25007 1 317 . 1 1 26 26 GLU HB3 H 1 1.67 0.017 . 2 . . . . 474 GLU QB . 25007 1 318 . 1 1 26 26 GLU HG2 H 1 2.129 0.005 . 2 . . . . 474 GLU HG2 . 25007 1 319 . 1 1 26 26 GLU HG3 H 1 1.966 0.004 . 2 . . . . 474 GLU HG3 . 25007 1 320 . 1 1 26 26 GLU C C 13 174.352 0.016 . 1 . . . . 474 GLU C . 25007 1 321 . 1 1 26 26 GLU CA C 13 54.701 0.22 . 1 . . . . 474 GLU CA . 25007 1 322 . 1 1 26 26 GLU CB C 13 33.357 0.021 . 1 . . . . 474 GLU CB . 25007 1 323 . 1 1 26 26 GLU CG C 13 35.597 0 . 1 . . . . 474 GLU CG . 25007 1 324 . 1 1 26 26 GLU N N 15 120.74 0.029 . 1 . . . . 474 GLU N . 25007 1 325 . 1 1 27 27 CYS H H 1 8.975 0.006 . 1 . . . . 475 CYS H . 25007 1 326 . 1 1 27 27 CYS HA H 1 4.808 0.009 . 1 . . . . 475 CYS HA . 25007 1 327 . 1 1 27 27 CYS HB2 H 1 3.091 0 . 2 . . . . 475 CYS HB2 . 25007 1 328 . 1 1 27 27 CYS HB3 H 1 2.589 0.006 . 2 . . . . 475 CYS HB3 . 25007 1 329 . 1 1 27 27 CYS C C 13 172.098 0.003 . 1 . . . . 475 CYS C . 25007 1 330 . 1 1 27 27 CYS CA C 13 56.609 0.064 . 1 . . . . 475 CYS CA . 25007 1 331 . 1 1 27 27 CYS CB C 13 30.959 0.11 . 1 . . . . 475 CYS CB . 25007 1 332 . 1 1 27 27 CYS N N 15 121.489 0.316 . 1 . . . . 475 CYS N . 25007 1 333 . 1 1 28 28 GLU H H 1 8.55 0.004 . 1 . . . . 476 GLU H . 25007 1 334 . 1 1 28 28 GLU HA H 1 5.508 0.008 . 1 . . . . 476 GLU HA . 25007 1 335 . 1 1 28 28 GLU HB2 H 1 2.039 0.012 . 1 . . . . 476 GLU HB2 . 25007 1 336 . 1 1 28 28 GLU HB3 H 1 1.798 0.012 . 1 . . . . 476 GLU HB3 . 25007 1 337 . 1 1 28 28 GLU HG2 H 1 2.335 0.009 . 1 . . . . 476 GLU HG2 . 25007 1 338 . 1 1 28 28 GLU HG3 H 1 2.055 0.013 . 1 . . . . 476 GLU HG3 . 25007 1 339 . 1 1 28 28 GLU C C 13 175.188 0.004 . 1 . . . . 476 GLU C . 25007 1 340 . 1 1 28 28 GLU CA C 13 55.034 0.078 . 1 . . . . 476 GLU CA . 25007 1 341 . 1 1 28 28 GLU CB C 13 34.226 0.085 . 1 . . . . 476 GLU CB . 25007 1 342 . 1 1 28 28 GLU CG C 13 37.842 0.056 . 1 . . . . 476 GLU CG . 25007 1 343 . 1 1 28 28 GLU N N 15 123.429 0.036 . 1 . . . . 476 GLU N . 25007 1 344 . 1 1 29 29 VAL H H 1 8.713 0.005 . 1 . . . . 477 VAL H . 25007 1 345 . 1 1 29 29 VAL HA H 1 5.411 0.01 . 1 . . . . 477 VAL HA . 25007 1 346 . 1 1 29 29 VAL HB H 1 2.226 0.009 . 1 . . . . 477 VAL HB . 25007 1 347 . 1 1 29 29 VAL HG11 H 1 0.646 0.005 . 2 . . . . 477 VAL QG1 . 25007 1 348 . 1 1 29 29 VAL HG12 H 1 0.646 0.005 . 2 . . . . 477 VAL QG1 . 25007 1 349 . 1 1 29 29 VAL HG13 H 1 0.646 0.005 . 2 . . . . 477 VAL QG1 . 25007 1 350 . 1 1 29 29 VAL HG21 H 1 1.041 0.007 . 2 . . . . 477 VAL QG2 . 25007 1 351 . 1 1 29 29 VAL HG22 H 1 1.041 0.007 . 2 . . . . 477 VAL QG2 . 25007 1 352 . 1 1 29 29 VAL HG23 H 1 1.041 0.007 . 2 . . . . 477 VAL QG2 . 25007 1 353 . 1 1 29 29 VAL C C 13 177.337 0 . 1 . . . . 477 VAL C . 25007 1 354 . 1 1 29 29 VAL CA C 13 58.807 0.1 . 1 . . . . 477 VAL CA . 25007 1 355 . 1 1 29 29 VAL CB C 13 33.847 0.124 . 1 . . . . 477 VAL CB . 25007 1 356 . 1 1 29 29 VAL CG1 C 13 21.939 0.081 . 1 . . . . 477 VAL CG1 . 25007 1 357 . 1 1 29 29 VAL CG2 C 13 19.365 0.09 . 1 . . . . 477 VAL CG2 . 25007 1 358 . 1 1 29 29 VAL N N 15 116.564 0.036 . 1 . . . . 477 VAL N . 25007 1 359 . 1 1 30 30 SER H H 1 8.756 0.002 . 1 . . . . 478 SER H . 25007 1 360 . 1 1 30 30 SER HA H 1 4.04 0.006 . 1 . . . . 478 SER HA . 25007 1 361 . 1 1 30 30 SER HB2 H 1 3.7 0.003 . 2 . . . . 478 SER HB2 . 25007 1 362 . 1 1 30 30 SER HB3 H 1 4.288 0.001 . 2 . . . . 478 SER HB3 . 25007 1 363 . 1 1 30 30 SER C C 13 173.819 0 . 1 . . . . 478 SER C . 25007 1 364 . 1 1 30 30 SER CA C 13 61.12 0.07 . 1 . . . . 478 SER CA . 25007 1 365 . 1 1 30 30 SER CB C 13 63.537 0.056 . 1 . . . . 478 SER CB . 25007 1 366 . 1 1 30 30 SER N N 15 111.232 0.026 . 1 . . . . 478 SER N . 25007 1 367 . 1 1 31 31 GLU H H 1 6.771 0.008 . 1 . . . . 479 GLU H . 25007 1 368 . 1 1 31 31 GLU HA H 1 4.846 0.008 . 1 . . . . 479 GLU HA . 25007 1 369 . 1 1 31 31 GLU HB2 H 1 1.729 0.014 . 2 . . . . 479 GLU QB . 25007 1 370 . 1 1 31 31 GLU HB3 H 1 1.729 0.014 . 2 . . . . 479 GLU QB . 25007 1 371 . 1 1 31 31 GLU HG2 H 1 2.249 0.009 . 2 . . . . 479 GLU QG . 25007 1 372 . 1 1 31 31 GLU HG3 H 1 2.249 0.009 . 2 . . . . 479 GLU QG . 25007 1 373 . 1 1 31 31 GLU C C 13 175.936 0.003 . 1 . . . . 479 GLU C . 25007 1 374 . 1 1 31 31 GLU CA C 13 54.505 0.094 . 1 . . . . 479 GLU CA . 25007 1 375 . 1 1 31 31 GLU CB C 13 33.938 0.023 . 1 . . . . 479 GLU CB . 25007 1 376 . 1 1 31 31 GLU CG C 13 35.481 0.069 . 1 . . . . 479 GLU CG . 25007 1 377 . 1 1 31 31 GLU N N 15 116.963 0.03 . 1 . . . . 479 GLU N . 25007 1 378 . 1 1 32 32 GLU H H 1 9.224 0.004 . 1 . . . . 480 GLU H . 25007 1 379 . 1 1 32 32 GLU HA H 1 4.402 0.007 . 1 . . . . 480 GLU HA . 25007 1 380 . 1 1 32 32 GLU HB2 H 1 2.066 0.006 . 1 . . . . 480 GLU HB2 . 25007 1 381 . 1 1 32 32 GLU HB3 H 1 1.94 0.01 . 1 . . . . 480 GLU HB3 . 25007 1 382 . 1 1 32 32 GLU HG2 H 1 2.272 0.01 . 2 . . . . 480 GLU QG . 25007 1 383 . 1 1 32 32 GLU HG3 H 1 2.272 0.01 . 2 . . . . 480 GLU QG . 25007 1 384 . 1 1 32 32 GLU C C 13 176.539 0 . 1 . . . . 480 GLU C . 25007 1 385 . 1 1 32 32 GLU CA C 13 57.86 0 . 1 . . . . 480 GLU CA . 25007 1 386 . 1 1 32 32 GLU CB C 13 30.072 0.123 . 1 . . . . 480 GLU CB . 25007 1 387 . 1 1 32 32 GLU CG C 13 36.151 0.044 . 1 . . . . 480 GLU CG . 25007 1 388 . 1 1 32 32 GLU N N 15 124.445 0.043 . 1 . . . . 480 GLU N . 25007 1 389 . 1 1 33 33 GLY HA2 H 1 3.855 0 . 1 . . . . 481 GLY HA2 . 25007 1 390 . 1 1 33 33 GLY HA3 H 1 3.957 0 . 1 . . . . 481 GLY HA3 . 25007 1 391 . 1 1 33 33 GLY C C 13 174.358 0.003 . 1 . . . . 481 GLY C . 25007 1 392 . 1 1 33 33 GLY CA C 13 45.799 0.162 . 1 . . . . 481 GLY CA . 25007 1 393 . 1 1 34 34 ALA H H 1 7.407 0.005 . 1 . . . . 482 ALA H . 25007 1 394 . 1 1 34 34 ALA HA H 1 4.369 0.082 . 1 . . . . 482 ALA HA . 25007 1 395 . 1 1 34 34 ALA HB1 H 1 1.351 0.01 . 1 . . . . 482 ALA QB . 25007 1 396 . 1 1 34 34 ALA HB2 H 1 1.351 0.01 . 1 . . . . 482 ALA QB . 25007 1 397 . 1 1 34 34 ALA HB3 H 1 1.351 0.01 . 1 . . . . 482 ALA QB . 25007 1 398 . 1 1 34 34 ALA C C 13 177.182 0.001 . 1 . . . . 482 ALA C . 25007 1 399 . 1 1 34 34 ALA CA C 13 52.389 0.271 . 1 . . . . 482 ALA CA . 25007 1 400 . 1 1 34 34 ALA CB C 13 20.558 0.112 . 1 . . . . 482 ALA CB . 25007 1 401 . 1 1 34 34 ALA N N 15 121.272 0.032 . 1 . . . . 482 ALA N . 25007 1 402 . 1 1 35 35 GLN H H 1 8.508 0.004 . 1 . . . . 483 GLN H . 25007 1 403 . 1 1 35 35 GLN HA H 1 4.434 0.004 . 1 . . . . 483 GLN HA . 25007 1 404 . 1 1 35 35 GLN HB2 H 1 1.969 0.007 . 2 . . . . 483 GLN QB . 25007 1 405 . 1 1 35 35 GLN HB3 H 1 1.969 0.007 . 2 . . . . 483 GLN QB . 25007 1 406 . 1 1 35 35 GLN HG2 H 1 2.353 0.009 . 2 . . . . 483 GLN QG . 25007 1 407 . 1 1 35 35 GLN HG3 H 1 2.353 0.009 . 2 . . . . 483 GLN QG . 25007 1 408 . 1 1 35 35 GLN HE21 H 1 6.893 0 . 2 . . . . 483 GLN HE21 . 25007 1 409 . 1 1 35 35 GLN HE22 H 1 7.533 0.001 . 2 . . . . 483 GLN HE22 . 25007 1 410 . 1 1 35 35 GLN C C 13 175.702 0.003 . 1 . . . . 483 GLN C . 25007 1 411 . 1 1 35 35 GLN CA C 13 55.355 0.099 . 1 . . . . 483 GLN CA . 25007 1 412 . 1 1 35 35 GLN CB C 13 28.785 0.046 . 1 . . . . 483 GLN CB . 25007 1 413 . 1 1 35 35 GLN CG C 13 33.67 0.071 . 1 . . . . 483 GLN CG . 25007 1 414 . 1 1 35 35 GLN N N 15 121.348 0.13 . 1 . . . . 483 GLN N . 25007 1 415 . 1 1 35 35 GLN NE2 N 15 113.098 0 . 1 . . . . 483 GLN NE2 . 25007 1 416 . 1 1 36 36 VAL H H 1 8.269 0.003 . 1 . . . . 484 VAL H . 25007 1 417 . 1 1 36 36 VAL HA H 1 4.907 0.01 . 1 . . . . 484 VAL HA . 25007 1 418 . 1 1 36 36 VAL HB H 1 1.427 0.013 . 1 . . . . 484 VAL HB . 25007 1 419 . 1 1 36 36 VAL HG11 H 1 0.023 0.006 . 2 . . . . 484 VAL QG1 . 25007 1 420 . 1 1 36 36 VAL HG12 H 1 0.023 0.006 . 2 . . . . 484 VAL QG1 . 25007 1 421 . 1 1 36 36 VAL HG13 H 1 0.023 0.006 . 2 . . . . 484 VAL QG1 . 25007 1 422 . 1 1 36 36 VAL HG21 H 1 0.288 0.005 . 2 . . . . 484 VAL QG2 . 25007 1 423 . 1 1 36 36 VAL HG22 H 1 0.288 0.005 . 2 . . . . 484 VAL QG2 . 25007 1 424 . 1 1 36 36 VAL HG23 H 1 0.288 0.005 . 2 . . . . 484 VAL QG2 . 25007 1 425 . 1 1 36 36 VAL C C 13 174.865 0.003 . 1 . . . . 484 VAL C . 25007 1 426 . 1 1 36 36 VAL CA C 13 58.403 0.088 . 1 . . . . 484 VAL CA . 25007 1 427 . 1 1 36 36 VAL CB C 13 34.477 0.092 . 1 . . . . 484 VAL CB . 25007 1 428 . 1 1 36 36 VAL CG1 C 13 19.672 0.07 . 1 . . . . 484 VAL CG1 . 25007 1 429 . 1 1 36 36 VAL CG2 C 13 17.505 0.1 . 1 . . . . 484 VAL CG2 . 25007 1 430 . 1 1 36 36 VAL N N 15 118.367 0.032 . 1 . . . . 484 VAL N . 25007 1 431 . 1 1 37 37 LYS H H 1 8.013 0.003 . 1 . . . . 485 LYS H . 25007 1 432 . 1 1 37 37 LYS HA H 1 4.586 0.012 . 1 . . . . 485 LYS HA . 25007 1 433 . 1 1 37 37 LYS HB2 H 1 1.498 0.004 . 2 . . . . 485 LYS QB . 25007 1 434 . 1 1 37 37 LYS HB3 H 1 1.498 0.004 . 2 . . . . 485 LYS QB . 25007 1 435 . 1 1 37 37 LYS HG2 H 1 1.261 0.003 . 2 . . . . 485 LYS QG . 25007 1 436 . 1 1 37 37 LYS HG3 H 1 1.261 0.003 . 2 . . . . 485 LYS QG . 25007 1 437 . 1 1 37 37 LYS HD2 H 1 1.493 0.012 . 2 . . . . 485 LYS QD . 25007 1 438 . 1 1 37 37 LYS HD3 H 1 1.493 0.012 . 2 . . . . 485 LYS QD . 25007 1 439 . 1 1 37 37 LYS HE2 H 1 3.277 0 . 2 . . . . 485 LYS HE2 . 25007 1 440 . 1 1 37 37 LYS HE3 H 1 2.83 0.006 . 2 . . . . 485 LYS HE3 . 25007 1 441 . 1 1 37 37 LYS C C 13 173.947 0.002 . 1 . . . . 485 LYS C . 25007 1 442 . 1 1 37 37 LYS CA C 13 54.986 0.079 . 1 . . . . 485 LYS CA . 25007 1 443 . 1 1 37 37 LYS CB C 13 36.634 0.07 . 1 . . . . 485 LYS CB . 25007 1 444 . 1 1 37 37 LYS CG C 13 24.397 0.177 . 1 . . . . 485 LYS CG . 25007 1 445 . 1 1 37 37 LYS CD C 13 29.364 0.091 . 1 . . . . 485 LYS CD . 25007 1 446 . 1 1 37 37 LYS CE C 13 41.576 0 . 1 . . . . 485 LYS CE . 25007 1 447 . 1 1 37 37 LYS N N 15 119.929 0.024 . 1 . . . . 485 LYS N . 25007 1 448 . 1 1 38 38 TRP H H 1 8.776 0.004 . 1 . . . . 486 TRP H . 25007 1 449 . 1 1 38 38 TRP HA H 1 5.602 0.006 . 1 . . . . 486 TRP HA . 25007 1 450 . 1 1 38 38 TRP HB2 H 1 3.021 0.006 . 1 . . . . 486 TRP HB2 . 25007 1 451 . 1 1 38 38 TRP HB3 H 1 3.12 0.005 . 1 . . . . 486 TRP HB3 . 25007 1 452 . 1 1 38 38 TRP HD1 H 1 6.968 0.003 . 1 . . . . 486 TRP HD1 . 25007 1 453 . 1 1 38 38 TRP HE1 H 1 10.528 0.009 . 1 . . . . 486 TRP HE1 . 25007 1 454 . 1 1 38 38 TRP HE3 H 1 7.077 0 . 1 . . . . 486 TRP HE3 . 25007 1 455 . 1 1 38 38 TRP HZ2 H 1 7.087 0.003 . 1 . . . . 486 TRP HZ2 . 25007 1 456 . 1 1 38 38 TRP HZ3 H 1 7.407 0.003 . 1 . . . . 486 TRP HZ3 . 25007 1 457 . 1 1 38 38 TRP HH2 H 1 6.702 0.003 . 1 . . . . 486 TRP HH2 . 25007 1 458 . 1 1 38 38 TRP C C 13 175.998 0.001 . 1 . . . . 486 TRP C . 25007 1 459 . 1 1 38 38 TRP CA C 13 55.808 0.114 . 1 . . . . 486 TRP CA . 25007 1 460 . 1 1 38 38 TRP CB C 13 32.003 0.101 . 1 . . . . 486 TRP CB . 25007 1 461 . 1 1 38 38 TRP CD1 C 13 127.362 0 . 1 . . . . 486 TRP CD1 . 25007 1 462 . 1 1 38 38 TRP CZ2 C 13 114.601 0.167 . 1 . . . . 486 TRP CZ2 . 25007 1 463 . 1 1 38 38 TRP CZ3 C 13 121.227 0.03 . 1 . . . . 486 TRP CZ3 . 25007 1 464 . 1 1 38 38 TRP CH2 C 13 123.437 0.024 . 1 . . . . 486 TRP CH2 . 25007 1 465 . 1 1 38 38 TRP N N 15 123.614 0.054 . 1 . . . . 486 TRP N . 25007 1 466 . 1 1 38 38 TRP NE1 N 15 128.873 0.012 . 1 . . . . 486 TRP NE1 . 25007 1 467 . 1 1 39 39 LEU H H 1 9.581 0.004 . 1 . . . . 487 LEU H . 25007 1 468 . 1 1 39 39 LEU HA H 1 5.181 0.005 . 1 . . . . 487 LEU HA . 25007 1 469 . 1 1 39 39 LEU HB2 H 1 1.627 0.007 . 1 . . . . 487 LEU HB2 . 25007 1 470 . 1 1 39 39 LEU HB3 H 1 1.054 0.004 . 1 . . . . 487 LEU HB3 . 25007 1 471 . 1 1 39 39 LEU HG H 1 1.389 0.004 . 1 . . . . 487 LEU HG . 25007 1 472 . 1 1 39 39 LEU HD11 H 1 0.672 0.018 . 2 . . . . 487 LEU QD1 . 25007 1 473 . 1 1 39 39 LEU HD12 H 1 0.672 0.018 . 2 . . . . 487 LEU QD1 . 25007 1 474 . 1 1 39 39 LEU HD13 H 1 0.672 0.018 . 2 . . . . 487 LEU QD1 . 25007 1 475 . 1 1 39 39 LEU HD21 H 1 0.605 0.015 . 2 . . . . 487 LEU QD2 . 25007 1 476 . 1 1 39 39 LEU HD22 H 1 0.605 0.015 . 2 . . . . 487 LEU QD2 . 25007 1 477 . 1 1 39 39 LEU HD23 H 1 0.605 0.015 . 2 . . . . 487 LEU QD2 . 25007 1 478 . 1 1 39 39 LEU C C 13 175.805 0 . 1 . . . . 487 LEU C . 25007 1 479 . 1 1 39 39 LEU CA C 13 53.541 0.078 . 1 . . . . 487 LEU CA . 25007 1 480 . 1 1 39 39 LEU CB C 13 46.105 0.043 . 1 . . . . 487 LEU CB . 25007 1 481 . 1 1 39 39 LEU CG C 13 27.942 0.053 . 1 . . . . 487 LEU CG . 25007 1 482 . 1 1 39 39 LEU CD1 C 13 25.78 0.093 . 2 . . . . 487 LEU CD1 . 25007 1 483 . 1 1 39 39 LEU CD2 C 13 24.266 0.112 . 2 . . . . 487 LEU CD2 . 25007 1 484 . 1 1 39 39 LEU N N 15 121.275 0.023 . 1 . . . . 487 LEU N . 25007 1 485 . 1 1 40 40 LYS H H 1 8.681 0.002 . 1 . . . . 488 LYS H . 25007 1 486 . 1 1 40 40 LYS HA H 1 4.439 0.008 . 1 . . . . 488 LYS HA . 25007 1 487 . 1 1 40 40 LYS HB2 H 1 1.591 0.023 . 2 . . . . 488 LYS HB2 . 25007 1 488 . 1 1 40 40 LYS HB3 H 1 1.237 0.017 . 2 . . . . 488 LYS HB3 . 25007 1 489 . 1 1 40 40 LYS HG2 H 1 0.658 0.008 . 1 . . . . 488 LYS HG2 . 25007 1 490 . 1 1 40 40 LYS HG3 H 1 0.27 0.006 . 1 . . . . 488 LYS HG3 . 25007 1 491 . 1 1 40 40 LYS HD2 H 1 1.411 0 . 1 . . . . 488 LYS HD2 . 25007 1 492 . 1 1 40 40 LYS HD3 H 1 1.636 0 . 1 . . . . 488 LYS HD3 . 25007 1 493 . 1 1 40 40 LYS HE2 H 1 2.617 0.005 . 2 . . . . 488 LYS HE2 . 25007 1 494 . 1 1 40 40 LYS HE3 H 1 3.052 0.001 . 2 . . . . 488 LYS HE3 . 25007 1 495 . 1 1 40 40 LYS C C 13 176.682 0 . 1 . . . . 488 LYS C . 25007 1 496 . 1 1 40 40 LYS CA C 13 55.102 0.109 . 1 . . . . 488 LYS CA . 25007 1 497 . 1 1 40 40 LYS CB C 13 35.535 0.13 . 1 . . . . 488 LYS CB . 25007 1 498 . 1 1 40 40 LYS CG C 13 25.398 0.041 . 1 . . . . 488 LYS CG . 25007 1 499 . 1 1 40 40 LYS CE C 13 43.45 0.051 . 1 . . . . 488 LYS CE . 25007 1 500 . 1 1 40 40 LYS N N 15 119.146 0.038 . 1 . . . . 488 LYS N . 25007 1 501 . 1 1 41 41 ASP H H 1 9.86 0.007 . 1 . . . . 489 ASP H . 25007 1 502 . 1 1 41 41 ASP HA H 1 4.361 0.007 . 1 . . . . 489 ASP HA . 25007 1 503 . 1 1 41 41 ASP HB2 H 1 2.894 0.01 . 1 . . . . 489 ASP HB2 . 25007 1 504 . 1 1 41 41 ASP HB3 H 1 2.651 0.007 . 1 . . . . 489 ASP HB3 . 25007 1 505 . 1 1 41 41 ASP C C 13 176.145 0.007 . 1 . . . . 489 ASP C . 25007 1 506 . 1 1 41 41 ASP CA C 13 55.968 0.144 . 1 . . . . 489 ASP CA . 25007 1 507 . 1 1 41 41 ASP CB C 13 40.051 0.063 . 1 . . . . 489 ASP CB . 25007 1 508 . 1 1 41 41 ASP N N 15 130.284 0.062 . 1 . . . . 489 ASP N . 25007 1 509 . 1 1 42 42 GLY H H 1 8.668 0.006 . 1 . . . . 490 GLY H . 25007 1 510 . 1 1 42 42 GLY HA2 H 1 3.449 0.012 . 1 . . . . 490 GLY HA2 . 25007 1 511 . 1 1 42 42 GLY HA3 H 1 4.156 0.004 . 1 . . . . 490 GLY HA3 . 25007 1 512 . 1 1 42 42 GLY C C 13 173.542 0.006 . 1 . . . . 490 GLY C . 25007 1 513 . 1 1 42 42 GLY CA C 13 45.24 0.172 . 1 . . . . 490 GLY CA . 25007 1 514 . 1 1 42 42 GLY N N 15 101.712 0.051 . 1 . . . . 490 GLY N . 25007 1 515 . 1 1 43 43 VAL H H 1 7.917 0.004 . 1 . . . . 491 VAL H . 25007 1 516 . 1 1 43 43 VAL HA H 1 4.168 0.009 . 1 . . . . 491 VAL HA . 25007 1 517 . 1 1 43 43 VAL HB H 1 2.116 0.016 . 1 . . . . 491 VAL HB . 25007 1 518 . 1 1 43 43 VAL HG11 H 1 0.94 0.004 . 2 . . . . 491 VAL QG1 . 25007 1 519 . 1 1 43 43 VAL HG12 H 1 0.94 0.004 . 2 . . . . 491 VAL QG1 . 25007 1 520 . 1 1 43 43 VAL HG13 H 1 0.94 0.004 . 2 . . . . 491 VAL QG1 . 25007 1 521 . 1 1 43 43 VAL HG21 H 1 1.034 0.007 . 2 . . . . 491 VAL QG2 . 25007 1 522 . 1 1 43 43 VAL HG22 H 1 1.034 0.007 . 2 . . . . 491 VAL QG2 . 25007 1 523 . 1 1 43 43 VAL HG23 H 1 1.034 0.007 . 2 . . . . 491 VAL QG2 . 25007 1 524 . 1 1 43 43 VAL C C 13 175.179 0.007 . 1 . . . . 491 VAL C . 25007 1 525 . 1 1 43 43 VAL CA C 13 61.629 0.112 . 1 . . . . 491 VAL CA . 25007 1 526 . 1 1 43 43 VAL CB C 13 33.515 0.054 . 1 . . . . 491 VAL CB . 25007 1 527 . 1 1 43 43 VAL CG1 C 13 20.998 0.087 . 1 . . . . 491 VAL CG1 . 25007 1 528 . 1 1 43 43 VAL CG2 C 13 20.998 0.087 . 1 . . . . 491 VAL CG2 . 25007 1 529 . 1 1 43 43 VAL N N 15 123.365 0.03 . 1 . . . . 491 VAL N . 25007 1 530 . 1 1 44 44 GLU H H 1 8.759 0.004 . 1 . . . . 492 GLU H . 25007 1 531 . 1 1 44 44 GLU HA H 1 4.395 0.005 . 1 . . . . 492 GLU HA . 25007 1 532 . 1 1 44 44 GLU HB2 H 1 1.936 0 . 2 . . . . 492 GLU QB . 25007 1 533 . 1 1 44 44 GLU HB3 H 1 1.936 0 . 2 . . . . 492 GLU QB . 25007 1 534 . 1 1 44 44 GLU HG2 H 1 2.288 0.008 . 2 . . . . 492 GLU QG . 25007 1 535 . 1 1 44 44 GLU HG3 H 1 2.288 0.008 . 2 . . . . 492 GLU QG . 25007 1 536 . 1 1 44 44 GLU C C 13 176.695 0.016 . 1 . . . . 492 GLU C . 25007 1 537 . 1 1 44 44 GLU CA C 13 57.585 0.06 . 1 . . . . 492 GLU CA . 25007 1 538 . 1 1 44 44 GLU CB C 13 29.87 0.011 . 1 . . . . 492 GLU CB . 25007 1 539 . 1 1 44 44 GLU CG C 13 36.091 0 . 1 . . . . 492 GLU CG . 25007 1 540 . 1 1 44 44 GLU N N 15 127.979 0.031 . 1 . . . . 492 GLU N . 25007 1 541 . 1 1 45 45 LEU H H 1 8.884 0.003 . 1 . . . . 493 LEU H . 25007 1 542 . 1 1 45 45 LEU HA H 1 4.539 0.005 . 1 . . . . 493 LEU HA . 25007 1 543 . 1 1 45 45 LEU HB2 H 1 1.794 0.005 . 1 . . . . 493 LEU HB2 . 25007 1 544 . 1 1 45 45 LEU HB3 H 1 1.325 0.006 . 1 . . . . 493 LEU HB3 . 25007 1 545 . 1 1 45 45 LEU HG H 1 1.599 0.011 . 1 . . . . 493 LEU HG . 25007 1 546 . 1 1 45 45 LEU HD11 H 1 0.754 0.003 . 2 . . . . 493 LEU QD1 . 25007 1 547 . 1 1 45 45 LEU HD12 H 1 0.754 0.003 . 2 . . . . 493 LEU QD1 . 25007 1 548 . 1 1 45 45 LEU HD13 H 1 0.754 0.003 . 2 . . . . 493 LEU QD1 . 25007 1 549 . 1 1 45 45 LEU HD21 H 1 0.526 0.005 . 2 . . . . 493 LEU QD2 . 25007 1 550 . 1 1 45 45 LEU HD22 H 1 0.526 0.005 . 2 . . . . 493 LEU QD2 . 25007 1 551 . 1 1 45 45 LEU HD23 H 1 0.526 0.005 . 2 . . . . 493 LEU QD2 . 25007 1 552 . 1 1 45 45 LEU C C 13 176.807 0.003 . 1 . . . . 493 LEU C . 25007 1 553 . 1 1 45 45 LEU CA C 13 54.305 0.093 . 1 . . . . 493 LEU CA . 25007 1 554 . 1 1 45 45 LEU CB C 13 41.768 0.226 . 1 . . . . 493 LEU CB . 25007 1 555 . 1 1 45 45 LEU CG C 13 26.522 0.071 . 1 . . . . 493 LEU CG . 25007 1 556 . 1 1 45 45 LEU CD1 C 13 22.368 0.101 . 2 . . . . 493 LEU CD1 . 25007 1 557 . 1 1 45 45 LEU CD2 C 13 25.545 0.097 . 2 . . . . 493 LEU CD2 . 25007 1 558 . 1 1 45 45 LEU N N 15 127.568 0.08 . 1 . . . . 493 LEU N . 25007 1 559 . 1 1 46 46 THR H H 1 8.315 0.004 . 1 . . . . 494 THR H . 25007 1 560 . 1 1 46 46 THR HA H 1 4.462 0.015 . 1 . . . . 494 THR HA . 25007 1 561 . 1 1 46 46 THR HG21 H 1 1.27 0.004 . 1 . . . . 494 THR QG2 . 25007 1 562 . 1 1 46 46 THR HG22 H 1 1.27 0.004 . 1 . . . . 494 THR QG2 . 25007 1 563 . 1 1 46 46 THR HG23 H 1 1.27 0.004 . 1 . . . . 494 THR QG2 . 25007 1 564 . 1 1 46 46 THR C C 13 174.638 0.007 . 1 . . . . 494 THR C . 25007 1 565 . 1 1 46 46 THR CA C 13 61.263 0.085 . 1 . . . . 494 THR CA . 25007 1 566 . 1 1 46 46 THR CB C 13 70.112 0.018 . 1 . . . . 494 THR CB . 25007 1 567 . 1 1 46 46 THR CG2 C 13 21.514 0.063 . 1 . . . . 494 THR CG2 . 25007 1 568 . 1 1 46 46 THR N N 15 115.006 0.034 . 1 . . . . 494 THR N . 25007 1 569 . 1 1 47 47 ARG H H 1 8.442 0.005 . 1 . . . . 495 ARG H . 25007 1 570 . 1 1 47 47 ARG HA H 1 4.236 0 . 1 . . . . 495 ARG HA . 25007 1 571 . 1 1 47 47 ARG HB2 H 1 1.9 0 . 1 . . . . 495 ARG HB2 . 25007 1 572 . 1 1 47 47 ARG HB3 H 1 2.245 0 . 1 . . . . 495 ARG HB3 . 25007 1 573 . 1 1 47 47 ARG HG2 H 1 1.755 0 . 1 . . . . 495 ARG HG2 . 25007 1 574 . 1 1 47 47 ARG HG3 H 1 1.522 0 . 1 . . . . 495 ARG HG3 . 25007 1 575 . 1 1 47 47 ARG HD2 H 1 3.971 0 . 1 . . . . 495 ARG HD2 . 25007 1 576 . 1 1 47 47 ARG HD3 H 1 3.096 0 . 1 . . . . 495 ARG HD3 . 25007 1 577 . 1 1 47 47 ARG C C 13 176.661 0.017 . 1 . . . . 495 ARG C . 25007 1 578 . 1 1 47 47 ARG CA C 13 56.528 0.021 . 1 . . . . 495 ARG CA . 25007 1 579 . 1 1 47 47 ARG CB C 13 29.747 0.06 . 1 . . . . 495 ARG CB . 25007 1 580 . 1 1 47 47 ARG CG C 13 26.831 0 . 1 . . . . 495 ARG CG . 25007 1 581 . 1 1 47 47 ARG CD C 13 42.944 0 . 1 . . . . 495 ARG CD . 25007 1 582 . 1 1 47 47 ARG N N 15 121.376 0.024 . 1 . . . . 495 ARG N . 25007 1 583 . 1 1 48 48 GLU H H 1 8.23 0.003 . 1 . . . . 496 GLU H . 25007 1 584 . 1 1 48 48 GLU HA H 1 4.3 0.01 . 1 . . . . 496 GLU HA . 25007 1 585 . 1 1 48 48 GLU HB2 H 1 2.149 0.016 . 2 . . . . 496 GLU HB2 . 25007 1 586 . 1 1 48 48 GLU HB3 H 1 2.012 0.016 . 2 . . . . 496 GLU HB3 . 25007 1 587 . 1 1 48 48 GLU HG2 H 1 2.32 0.006 . 2 . . . . 496 GLU QG . 25007 1 588 . 1 1 48 48 GLU HG3 H 1 2.32 0.006 . 2 . . . . 496 GLU QG . 25007 1 589 . 1 1 48 48 GLU C C 13 176.615 0.017 . 1 . . . . 496 GLU C . 25007 1 590 . 1 1 48 48 GLU CA C 13 57.036 0.177 . 1 . . . . 496 GLU CA . 25007 1 591 . 1 1 48 48 GLU CB C 13 30.369 0.128 . 1 . . . . 496 GLU CB . 25007 1 592 . 1 1 48 48 GLU CG C 13 36.261 0.065 . 1 . . . . 496 GLU CG . 25007 1 593 . 1 1 48 48 GLU N N 15 120.213 0.015 . 1 . . . . 496 GLU N . 25007 1 594 . 1 1 49 49 GLU H H 1 8.286 0.005 . 1 . . . . 497 GLU H . 25007 1 595 . 1 1 49 49 GLU HA H 1 4.432 0.005 . 1 . . . . 497 GLU HA . 25007 1 596 . 1 1 49 49 GLU HB2 H 1 2.115 0.008 . 2 . . . . 497 GLU QB . 25007 1 597 . 1 1 49 49 GLU HB3 H 1 2.115 0.008 . 2 . . . . 497 GLU QB . 25007 1 598 . 1 1 49 49 GLU HG2 H 1 2.297 0.011 . 2 . . . . 497 GLU QG . 25007 1 599 . 1 1 49 49 GLU HG3 H 1 2.297 0.011 . 2 . . . . 497 GLU QG . 25007 1 600 . 1 1 49 49 GLU C C 13 176.587 0.003 . 1 . . . . 497 GLU C . 25007 1 601 . 1 1 49 49 GLU CA C 13 56.731 0.11 . 1 . . . . 497 GLU CA . 25007 1 602 . 1 1 49 49 GLU CB C 13 29.467 0.124 . 1 . . . . 497 GLU CB . 25007 1 603 . 1 1 49 49 GLU CG C 13 36.408 0 . 1 . . . . 497 GLU CG . 25007 1 604 . 1 1 49 49 GLU N N 15 120.969 0.021 . 1 . . . . 497 GLU N . 25007 1 605 . 1 1 50 50 THR H H 1 8.192 0.005 . 1 . . . . 498 THR H . 25007 1 606 . 1 1 50 50 THR HA H 1 4.54 0.003 . 1 . . . . 498 THR HA . 25007 1 607 . 1 1 50 50 THR HB H 1 4.383 0 . 1 . . . . 498 THR HB . 25007 1 608 . 1 1 50 50 THR HG21 H 1 1.245 0.008 . 1 . . . . 498 THR QG2 . 25007 1 609 . 1 1 50 50 THR HG22 H 1 1.245 0.008 . 1 . . . . 498 THR QG2 . 25007 1 610 . 1 1 50 50 THR HG23 H 1 1.245 0.008 . 1 . . . . 498 THR QG2 . 25007 1 611 . 1 1 50 50 THR C C 13 174.512 0.017 . 1 . . . . 498 THR C . 25007 1 612 . 1 1 50 50 THR CA C 13 61.494 0.112 . 1 . . . . 498 THR CA . 25007 1 613 . 1 1 50 50 THR CB C 13 70.298 0.02 . 1 . . . . 498 THR CB . 25007 1 614 . 1 1 50 50 THR CG2 C 13 21.401 0.049 . 1 . . . . 498 THR CG2 . 25007 1 615 . 1 1 50 50 THR N N 15 114.281 0.018 . 1 . . . . 498 THR N . 25007 1 616 . 1 1 51 51 PHE H H 1 8.191 0.004 . 1 . . . . 499 PHE H . 25007 1 617 . 1 1 51 51 PHE HA H 1 4.557 0.008 . 1 . . . . 499 PHE HA . 25007 1 618 . 1 1 51 51 PHE HB2 H 1 3.192 0.002 . 2 . . . . 499 PHE HB2 . 25007 1 619 . 1 1 51 51 PHE HB3 H 1 3.141 0.004 . 2 . . . . 499 PHE HB3 . 25007 1 620 . 1 1 51 51 PHE HD1 H 1 7.274 0.003 . 3 . . . . 499 PHE HD1 . 25007 1 621 . 1 1 51 51 PHE HD2 H 1 7.27 0 . 3 . . . . 499 PHE HD2 . 25007 1 622 . 1 1 51 51 PHE HE1 H 1 7.377 0.013 . 3 . . . . 499 PHE HE1 . 25007 1 623 . 1 1 51 51 PHE HE2 H 1 7.346 0.022 . 3 . . . . 499 PHE HE2 . 25007 1 624 . 1 1 51 51 PHE HZ H 1 7.329 0.002 . 1 . . . . 499 PHE HZ . 25007 1 625 . 1 1 51 51 PHE C C 13 176.196 0.004 . 1 . . . . 499 PHE C . 25007 1 626 . 1 1 51 51 PHE CA C 13 58.536 0.075 . 1 . . . . 499 PHE CA . 25007 1 627 . 1 1 51 51 PHE CB C 13 38.497 0.096 . 1 . . . . 499 PHE CB . 25007 1 628 . 1 1 51 51 PHE CD1 C 13 131.797 0.01 . 3 . . . . 499 PHE CD1 . 25007 1 629 . 1 1 51 51 PHE CD2 C 13 131.918 0 . 3 . . . . 499 PHE CD2 . 25007 1 630 . 1 1 51 51 PHE CE1 C 13 131.635 0.002 . 3 . . . . 499 PHE CE1 . 25007 1 631 . 1 1 51 51 PHE CE2 C 13 131.572 0 . 3 . . . . 499 PHE CE2 . 25007 1 632 . 1 1 51 51 PHE CZ C 13 129.911 0.02 . 1 . . . . 499 PHE CZ . 25007 1 633 . 1 1 51 51 PHE N N 15 119.424 0.218 . 1 . . . . 499 PHE N . 25007 1 634 . 1 1 52 52 LYS H H 1 7.848 0.004 . 1 . . . . 500 LYS H . 25007 1 635 . 1 1 52 52 LYS HA H 1 4.011 0.006 . 1 . . . . 500 LYS HA . 25007 1 636 . 1 1 52 52 LYS HB2 H 1 1.158 0.01 . 1 . . . . 500 LYS HB2 . 25007 1 637 . 1 1 52 52 LYS HB3 H 1 1.275 0.015 . 1 . . . . 500 LYS HB3 . 25007 1 638 . 1 1 52 52 LYS HG2 H 1 0.751 0.007 . 2 . . . . 500 LYS QG . 25007 1 639 . 1 1 52 52 LYS HG3 H 1 0.751 0.007 . 2 . . . . 500 LYS QG . 25007 1 640 . 1 1 52 52 LYS HD2 H 1 1.483 0.004 . 2 . . . . 500 LYS QD . 25007 1 641 . 1 1 52 52 LYS HD3 H 1 1.483 0.004 . 2 . . . . 500 LYS QD . 25007 1 642 . 1 1 52 52 LYS HE2 H 1 2.904 0.001 . 1 . . . . 500 LYS HE2 . 25007 1 643 . 1 1 52 52 LYS HE3 H 1 2.73 0.003 . 1 . . . . 500 LYS HE3 . 25007 1 644 . 1 1 52 52 LYS C C 13 175.712 0.002 . 1 . . . . 500 LYS C . 25007 1 645 . 1 1 52 52 LYS CA C 13 57.773 0.096 . 1 . . . . 500 LYS CA . 25007 1 646 . 1 1 52 52 LYS CB C 13 33.363 0.123 . 1 . . . . 500 LYS CB . 25007 1 647 . 1 1 52 52 LYS CG C 13 23.665 0.071 . 1 . . . . 500 LYS CG . 25007 1 648 . 1 1 52 52 LYS CD C 13 28.296 0.059 . 1 . . . . 500 LYS CD . 25007 1 649 . 1 1 52 52 LYS CE C 13 41.522 0.071 . 1 . . . . 500 LYS CE . 25007 1 650 . 1 1 52 52 LYS N N 15 120.866 0.034 . 1 . . . . 500 LYS N . 25007 1 651 . 1 1 53 53 TYR H H 1 7.214 0.004 . 1 . . . . 501 TYR H . 25007 1 652 . 1 1 53 53 TYR HA H 1 5.313 0.003 . 1 . . . . 501 TYR HA . 25007 1 653 . 1 1 53 53 TYR HB2 H 1 2.504 0.01 . 1 . . . . 501 TYR HB2 . 25007 1 654 . 1 1 53 53 TYR HB3 H 1 2.386 0.008 . 1 . . . . 501 TYR HB3 . 25007 1 655 . 1 1 53 53 TYR HD1 H 1 6.956 0.003 . 3 . . . . 501 TYR HD1 . 25007 1 656 . 1 1 53 53 TYR HD2 H 1 6.95 0.005 . 3 . . . . 501 TYR HD2 . 25007 1 657 . 1 1 53 53 TYR HE1 H 1 6.848 0.003 . 3 . . . . 501 TYR HE1 . 25007 1 658 . 1 1 53 53 TYR HE2 H 1 6.846 0.003 . 3 . . . . 501 TYR HE2 . 25007 1 659 . 1 1 53 53 TYR C C 13 175.113 0.014 . 1 . . . . 501 TYR C . 25007 1 660 . 1 1 53 53 TYR CA C 13 55.044 0.141 . 1 . . . . 501 TYR CA . 25007 1 661 . 1 1 53 53 TYR CB C 13 41.727 0.145 . 1 . . . . 501 TYR CB . 25007 1 662 . 1 1 53 53 TYR CD1 C 13 133.227 0.028 . 3 . . . . 501 TYR CD1 . 25007 1 663 . 1 1 53 53 TYR CD2 C 13 133.2 0 . 3 . . . . 501 TYR CD2 . 25007 1 664 . 1 1 53 53 TYR CE1 C 13 118.1 0 . 3 . . . . 501 TYR CE1 . 25007 1 665 . 1 1 53 53 TYR CE2 C 13 117.973 0.02 . 3 . . . . 501 TYR CE2 . 25007 1 666 . 1 1 53 53 TYR N N 15 114.937 0.03 . 1 . . . . 501 TYR N . 25007 1 667 . 1 1 54 54 ARG H H 1 8.663 0.006 . 1 . . . . 502 ARG H . 25007 1 668 . 1 1 54 54 ARG HA H 1 4.543 0.009 . 1 . . . . 502 ARG HA . 25007 1 669 . 1 1 54 54 ARG HB2 H 1 1.736 0 . 2 . . . . 502 ARG QB . 25007 1 670 . 1 1 54 54 ARG HB3 H 1 1.736 0 . 2 . . . . 502 ARG QB . 25007 1 671 . 1 1 54 54 ARG HG2 H 1 1.551 0 . 2 . . . . 502 ARG QG . 25007 1 672 . 1 1 54 54 ARG HG3 H 1 1.551 0 . 2 . . . . 502 ARG QG . 25007 1 673 . 1 1 54 54 ARG HD2 H 1 3.155 0.007 . 2 . . . . 502 ARG QD . 25007 1 674 . 1 1 54 54 ARG HD3 H 1 3.155 0.007 . 2 . . . . 502 ARG QD . 25007 1 675 . 1 1 54 54 ARG C C 13 173.549 0.009 . 1 . . . . 502 ARG C . 25007 1 676 . 1 1 54 54 ARG CA C 13 54.462 0.085 . 1 . . . . 502 ARG CA . 25007 1 677 . 1 1 54 54 ARG CB C 13 32.98 0.127 . 1 . . . . 502 ARG CB . 25007 1 678 . 1 1 54 54 ARG CG C 13 27.084 0 . 1 . . . . 502 ARG CG . 25007 1 679 . 1 1 54 54 ARG CD C 13 43.334 0.097 . 1 . . . . 502 ARG CD . 25007 1 680 . 1 1 54 54 ARG N N 15 119.116 0.032 . 1 . . . . 502 ARG N . 25007 1 681 . 1 1 55 55 PHE H H 1 8.691 0.006 . 1 . . . . 503 PHE H . 25007 1 682 . 1 1 55 55 PHE HA H 1 5.281 0.016 . 1 . . . . 503 PHE HA . 25007 1 683 . 1 1 55 55 PHE HB2 H 1 2.957 0.008 . 1 . . . . 503 PHE HB2 . 25007 1 684 . 1 1 55 55 PHE HB3 H 1 3.173 0.009 . 1 . . . . 503 PHE HB3 . 25007 1 685 . 1 1 55 55 PHE HD1 H 1 7.08 0.005 . 3 . . . . 503 PHE HD1 . 25007 1 686 . 1 1 55 55 PHE HD2 H 1 7.081 0 . 3 . . . . 503 PHE HD2 . 25007 1 687 . 1 1 55 55 PHE HE1 H 1 6.997 0.005 . 3 . . . . 503 PHE HE1 . 25007 1 688 . 1 1 55 55 PHE HE2 H 1 7.002 0.003 . 3 . . . . 503 PHE HE2 . 25007 1 689 . 1 1 55 55 PHE HZ H 1 6.862 0.004 . 1 . . . . 503 PHE HZ . 25007 1 690 . 1 1 55 55 PHE C C 13 176.268 0.005 . 1 . . . . 503 PHE C . 25007 1 691 . 1 1 55 55 PHE CA C 13 55.736 0.116 . 1 . . . . 503 PHE CA . 25007 1 692 . 1 1 55 55 PHE CB C 13 41.345 0.11 . 1 . . . . 503 PHE CB . 25007 1 693 . 1 1 55 55 PHE CD1 C 13 131.992 0.047 . 3 . . . . 503 PHE CD1 . 25007 1 694 . 1 1 55 55 PHE CD2 C 13 132.102 0 . 3 . . . . 503 PHE CD2 . 25007 1 695 . 1 1 55 55 PHE CE1 C 13 131.442 0.022 . 3 . . . . 503 PHE CE1 . 25007 1 696 . 1 1 55 55 PHE CE2 C 13 131.341 0.011 . 3 . . . . 503 PHE CE2 . 25007 1 697 . 1 1 55 55 PHE CZ C 13 128.903 0.04 . 1 . . . . 503 PHE CZ . 25007 1 698 . 1 1 55 55 PHE N N 15 121.105 0.034 . 1 . . . . 503 PHE N . 25007 1 699 . 1 1 56 56 LYS H H 1 8.914 0.006 . 1 . . . . 504 LYS H . 25007 1 700 . 1 1 56 56 LYS HA H 1 4.892 0.011 . 1 . . . . 504 LYS HA . 25007 1 701 . 1 1 56 56 LYS HB2 H 1 1.66 0.005 . 1 . . . . 504 LYS HB2 . 25007 1 702 . 1 1 56 56 LYS HB3 H 1 1.52 0.003 . 1 . . . . 504 LYS HB3 . 25007 1 703 . 1 1 56 56 LYS HG2 H 1 1.142 0.01 . 2 . . . . 504 LYS HG2 . 25007 1 704 . 1 1 56 56 LYS HG3 H 1 1.244 0.003 . 2 . . . . 504 LYS HG3 . 25007 1 705 . 1 1 56 56 LYS HD2 H 1 1.352 0.017 . 2 . . . . 504 LYS HD2 . 25007 1 706 . 1 1 56 56 LYS HD3 H 1 1.198 0.013 . 2 . . . . 504 LYS HD3 . 25007 1 707 . 1 1 56 56 LYS HE2 H 1 2.493 0.001 . 2 . . . . 504 LYS QE . 25007 1 708 . 1 1 56 56 LYS HE3 H 1 2.493 0.001 . 2 . . . . 504 LYS QE . 25007 1 709 . 1 1 56 56 LYS C C 13 174.929 0.005 . 1 . . . . 504 LYS C . 25007 1 710 . 1 1 56 56 LYS CA C 13 55.269 0.18 . 1 . . . . 504 LYS CA . 25007 1 711 . 1 1 56 56 LYS CB C 13 36.405 0.07 . 1 . . . . 504 LYS CB . 25007 1 712 . 1 1 56 56 LYS CG C 13 24.703 0.107 . 1 . . . . 504 LYS CG . 25007 1 713 . 1 1 56 56 LYS CD C 13 28.948 0.168 . 1 . . . . 504 LYS CD . 25007 1 714 . 1 1 56 56 LYS CE C 13 41.308 0.032 . 1 . . . . 504 LYS CE . 25007 1 715 . 1 1 56 56 LYS N N 15 121.191 0.032 . 1 . . . . 504 LYS N . 25007 1 716 . 1 1 57 57 LYS H H 1 8.822 0.005 . 1 . . . . 505 LYS H . 25007 1 717 . 1 1 57 57 LYS HA H 1 4.86 0.01 . 1 . . . . 505 LYS HA . 25007 1 718 . 1 1 57 57 LYS HB2 H 1 1.822 0.008 . 2 . . . . 505 LYS QB . 25007 1 719 . 1 1 57 57 LYS HB3 H 1 1.822 0.008 . 2 . . . . 505 LYS QB . 25007 1 720 . 1 1 57 57 LYS HG2 H 1 1.208 0.007 . 2 . . . . 505 LYS QG . 25007 1 721 . 1 1 57 57 LYS HG3 H 1 1.208 0.007 . 2 . . . . 505 LYS QG . 25007 1 722 . 1 1 57 57 LYS HD2 H 1 1.402 0 . 2 . . . . 505 LYS QD . 25007 1 723 . 1 1 57 57 LYS HD3 H 1 1.402 0 . 2 . . . . 505 LYS QD . 25007 1 724 . 1 1 57 57 LYS HE2 H 1 3.172 0.008 . 2 . . . . 505 LYS QE . 25007 1 725 . 1 1 57 57 LYS HE3 H 1 3.172 0.008 . 2 . . . . 505 LYS QE . 25007 1 726 . 1 1 57 57 LYS C C 13 174.542 0 . 1 . . . . 505 LYS C . 25007 1 727 . 1 1 57 57 LYS CA C 13 55.484 0.182 . 1 . . . . 505 LYS CA . 25007 1 728 . 1 1 57 57 LYS CB C 13 34.831 0.135 . 1 . . . . 505 LYS CB . 25007 1 729 . 1 1 57 57 LYS CG C 13 23.81 0 . 1 . . . . 505 LYS CG . 25007 1 730 . 1 1 57 57 LYS CD C 13 29.66 0 . 1 . . . . 505 LYS CD . 25007 1 731 . 1 1 57 57 LYS CE C 13 42.18 0 . 1 . . . . 505 LYS CE . 25007 1 732 . 1 1 57 57 LYS N N 15 126.575 0.089 . 1 . . . . 505 LYS N . 25007 1 733 . 1 1 58 58 ASP H H 1 8.911 0.005 . 1 . . . . 506 ASP H . 25007 1 734 . 1 1 58 58 ASP HA H 1 4.814 0.016 . 1 . . . . 506 ASP HA . 25007 1 735 . 1 1 58 58 ASP HB2 H 1 2.755 0.014 . 2 . . . . 506 ASP HB2 . 25007 1 736 . 1 1 58 58 ASP HB3 H 1 2.418 0.004 . 2 . . . . 506 ASP HB3 . 25007 1 737 . 1 1 58 58 ASP C C 13 176.075 0.001 . 1 . . . . 506 ASP C . 25007 1 738 . 1 1 58 58 ASP CA C 13 52.597 0.094 . 1 . . . . 506 ASP CA . 25007 1 739 . 1 1 58 58 ASP CB C 13 41.813 0.089 . 1 . . . . 506 ASP CB . 25007 1 740 . 1 1 58 58 ASP N N 15 125.932 0.022 . 1 . . . . 506 ASP N . 25007 1 741 . 1 1 59 59 GLY H H 1 8.989 0.003 . 1 . . . . 507 GLY H . 25007 1 742 . 1 1 59 59 GLY HA2 H 1 3.689 0.005 . 1 . . . . 507 GLY HA2 . 25007 1 743 . 1 1 59 59 GLY HA3 H 1 4.107 0.005 . 1 . . . . 507 GLY HA3 . 25007 1 744 . 1 1 59 59 GLY C C 13 175.318 0.002 . 1 . . . . 507 GLY C . 25007 1 745 . 1 1 59 59 GLY CA C 13 47.542 0.127 . 1 . . . . 507 GLY CA . 25007 1 746 . 1 1 59 59 GLY N N 15 114.443 0.048 . 1 . . . . 507 GLY N . 25007 1 747 . 1 1 60 60 GLN H H 1 9.426 0.004 . 1 . . . . 508 GLN H . 25007 1 748 . 1 1 60 60 GLN HA H 1 4.546 0 . 1 . . . . 508 GLN HA . 25007 1 749 . 1 1 60 60 GLN HB2 H 1 1.237 0 . 2 . . . . 508 GLN QB . 25007 1 750 . 1 1 60 60 GLN HB3 H 1 1.237 0 . 2 . . . . 508 GLN QB . 25007 1 751 . 1 1 60 60 GLN HG2 H 1 2.024 0 . 1 . . . . 508 GLN HG2 . 25007 1 752 . 1 1 60 60 GLN HG3 H 1 2.217 0 . 1 . . . . 508 GLN HG3 . 25007 1 753 . 1 1 60 60 GLN HE21 H 1 7.708 0.004 . 1 . . . . 508 GLN HE21 . 25007 1 754 . 1 1 60 60 GLN HE22 H 1 6.832 0 . 1 . . . . 508 GLN HE22 . 25007 1 755 . 1 1 60 60 GLN C C 13 174.087 0.004 . 1 . . . . 508 GLN C . 25007 1 756 . 1 1 60 60 GLN CA C 13 57.107 0.048 . 1 . . . . 508 GLN CA . 25007 1 757 . 1 1 60 60 GLN CB C 13 30.198 0.083 . 1 . . . . 508 GLN CB . 25007 1 758 . 1 1 60 60 GLN CG C 13 35.881 0.022 . 1 . . . . 508 GLN CG . 25007 1 759 . 1 1 60 60 GLN CD C 13 176.971 0 . 1 . . . . 508 GLN CD . 25007 1 760 . 1 1 60 60 GLN N N 15 128.587 0.039 . 1 . . . . 508 GLN N . 25007 1 761 . 1 1 60 60 GLN NE2 N 15 110.536 0.011 . 1 . . . . 508 GLN NE2 . 25007 1 762 . 1 1 61 61 ARG H H 1 8.185 0.005 . 1 . . . . 509 ARG H . 25007 1 763 . 1 1 61 61 ARG HA H 1 4.971 0.005 . 1 . . . . 509 ARG HA . 25007 1 764 . 1 1 61 61 ARG HB2 H 1 1.928 0.005 . 1 . . . . 509 ARG HB2 . 25007 1 765 . 1 1 61 61 ARG HB3 H 1 2.112 0.001 . 1 . . . . 509 ARG HB3 . 25007 1 766 . 1 1 61 61 ARG HG2 H 1 1.712 0.003 . 2 . . . . 509 ARG HG2 . 25007 1 767 . 1 1 61 61 ARG HG3 H 1 1.525 0.003 . 2 . . . . 509 ARG HG3 . 25007 1 768 . 1 1 61 61 ARG HD2 H 1 3.286 0.006 . 2 . . . . 509 ARG QD . 25007 1 769 . 1 1 61 61 ARG HD3 H 1 3.286 0.006 . 2 . . . . 509 ARG QD . 25007 1 770 . 1 1 61 61 ARG HE H 1 7.561 0.004 . 1 . . . . 509 ARG HE . 25007 1 771 . 1 1 61 61 ARG C C 13 174.531 0.011 . 1 . . . . 509 ARG C . 25007 1 772 . 1 1 61 61 ARG CA C 13 56.149 0.013 . 1 . . . . 509 ARG CA . 25007 1 773 . 1 1 61 61 ARG CB C 13 31.984 0.04 . 1 . . . . 509 ARG CB . 25007 1 774 . 1 1 61 61 ARG CG C 13 27.84 0.183 . 1 . . . . 509 ARG CG . 25007 1 775 . 1 1 61 61 ARG CD C 13 43.42 0.065 . 1 . . . . 509 ARG CD . 25007 1 776 . 1 1 61 61 ARG N N 15 120.282 0.044 . 1 . . . . 509 ARG N . 25007 1 777 . 1 1 61 61 ARG NE N 15 85.091 0.015 . 1 . . . . 509 ARG NE . 25007 1 778 . 1 1 62 62 HIS H H 1 8.766 0.006 . 1 . . . . 510 HIS H . 25007 1 779 . 1 1 62 62 HIS HA H 1 5.128 0.004 . 1 . . . . 510 HIS HA . 25007 1 780 . 1 1 62 62 HIS HB2 H 1 2.7 0.008 . 1 . . . . 510 HIS HB2 . 25007 1 781 . 1 1 62 62 HIS HB3 H 1 3.388 0.007 . 1 . . . . 510 HIS HB3 . 25007 1 782 . 1 1 62 62 HIS HD2 H 1 6.783 0.001 . 1 . . . . 510 HIS HD2 . 25007 1 783 . 1 1 62 62 HIS HE1 H 1 7.698 0.002 . 1 . . . . 510 HIS HE1 . 25007 1 784 . 1 1 62 62 HIS C C 13 174.763 0.003 . 1 . . . . 510 HIS C . 25007 1 785 . 1 1 62 62 HIS CA C 13 56.499 0.168 . 1 . . . . 510 HIS CA . 25007 1 786 . 1 1 62 62 HIS CB C 13 35.219 0.06 . 1 . . . . 510 HIS CB . 25007 1 787 . 1 1 62 62 HIS CD2 C 13 116.795 0 . 1 . . . . 510 HIS CD2 . 25007 1 788 . 1 1 62 62 HIS CE1 C 13 137.89 0.008 . 1 . . . . 510 HIS CE1 . 25007 1 789 . 1 1 62 62 HIS N N 15 122.738 0.037 . 1 . . . . 510 HIS N . 25007 1 790 . 1 1 63 63 HIS H H 1 9.314 0.007 . 1 . . . . 511 HIS H . 25007 1 791 . 1 1 63 63 HIS HA H 1 6.074 0.004 . 1 . . . . 511 HIS HA . 25007 1 792 . 1 1 63 63 HIS HB2 H 1 2.908 0.008 . 1 . . . . 511 HIS HB2 . 25007 1 793 . 1 1 63 63 HIS HB3 H 1 3.051 0.009 . 1 . . . . 511 HIS HB3 . 25007 1 794 . 1 1 63 63 HIS HD2 H 1 6.638 0.001 . 1 . . . . 511 HIS HD2 . 25007 1 795 . 1 1 63 63 HIS HE1 H 1 7.755 0.011 . 1 . . . . 511 HIS HE1 . 25007 1 796 . 1 1 63 63 HIS C C 13 173.805 0.004 . 1 . . . . 511 HIS C . 25007 1 797 . 1 1 63 63 HIS CA C 13 53.886 0.091 . 1 . . . . 511 HIS CA . 25007 1 798 . 1 1 63 63 HIS CB C 13 33.159 0.104 . 1 . . . . 511 HIS CB . 25007 1 799 . 1 1 63 63 HIS CD2 C 13 123.145 0 . 1 . . . . 511 HIS CD2 . 25007 1 800 . 1 1 63 63 HIS CE1 C 13 138.121 0.021 . 1 . . . . 511 HIS CE1 . 25007 1 801 . 1 1 63 63 HIS N N 15 118.975 0.051 . 1 . . . . 511 HIS N . 25007 1 802 . 1 1 64 64 LEU H H 1 8.403 0.007 . 1 . . . . 512 LEU H . 25007 1 803 . 1 1 64 64 LEU HA H 1 4.382 0.006 . 1 . . . . 512 LEU HA . 25007 1 804 . 1 1 64 64 LEU HB2 H 1 0.616 0.004 . 1 . . . . 512 LEU HB2 . 25007 1 805 . 1 1 64 64 LEU HB3 H 1 0.628 0.002 . 1 . . . . 512 LEU HB3 . 25007 1 806 . 1 1 64 64 LEU HG H 1 0.805 0.006 . 1 . . . . 512 LEU HG . 25007 1 807 . 1 1 64 64 LEU HD11 H 1 0.295 0.005 . 2 . . . . 512 LEU QD1 . 25007 1 808 . 1 1 64 64 LEU HD12 H 1 0.295 0.005 . 2 . . . . 512 LEU QD1 . 25007 1 809 . 1 1 64 64 LEU HD13 H 1 0.295 0.005 . 2 . . . . 512 LEU QD1 . 25007 1 810 . 1 1 64 64 LEU HD21 H 1 -0.021 0.005 . 2 . . . . 512 LEU QD2 . 25007 1 811 . 1 1 64 64 LEU HD22 H 1 -0.021 0.005 . 2 . . . . 512 LEU QD2 . 25007 1 812 . 1 1 64 64 LEU HD23 H 1 -0.021 0.005 . 2 . . . . 512 LEU QD2 . 25007 1 813 . 1 1 64 64 LEU C C 13 174.018 0 . 1 . . . . 512 LEU C . 25007 1 814 . 1 1 64 64 LEU CA C 13 54.038 0.112 . 1 . . . . 512 LEU CA . 25007 1 815 . 1 1 64 64 LEU CB C 13 42.246 0.077 . 1 . . . . 512 LEU CB . 25007 1 816 . 1 1 64 64 LEU CG C 13 27.379 0.047 . 1 . . . . 512 LEU CG . 25007 1 817 . 1 1 64 64 LEU CD1 C 13 26.186 0.127 . 2 . . . . 512 LEU CD1 . 25007 1 818 . 1 1 64 64 LEU CD2 C 13 23.882 0.09 . 2 . . . . 512 LEU CD2 . 25007 1 819 . 1 1 64 64 LEU N N 15 125.887 0.403 . 1 . . . . 512 LEU N . 25007 1 820 . 1 1 65 65 ILE H H 1 8.885 0.003 . 1 . . . . 513 ILE H . 25007 1 821 . 1 1 65 65 ILE HA H 1 4.953 0.008 . 1 . . . . 513 ILE HA . 25007 1 822 . 1 1 65 65 ILE HB H 1 1.505 0.006 . 1 . . . . 513 ILE HB . 25007 1 823 . 1 1 65 65 ILE HG12 H 1 0.959 0.008 . 1 . . . . 513 ILE HG12 . 25007 1 824 . 1 1 65 65 ILE HG13 H 1 1.286 0.008 . 1 . . . . 513 ILE HG13 . 25007 1 825 . 1 1 65 65 ILE HG21 H 1 0.66 0.006 . 1 . . . . 513 ILE QG2 . 25007 1 826 . 1 1 65 65 ILE HG22 H 1 0.66 0.006 . 1 . . . . 513 ILE QG2 . 25007 1 827 . 1 1 65 65 ILE HG23 H 1 0.66 0.006 . 1 . . . . 513 ILE QG2 . 25007 1 828 . 1 1 65 65 ILE HD11 H 1 0.649 0.006 . 1 . . . . 513 ILE QD1 . 25007 1 829 . 1 1 65 65 ILE HD12 H 1 0.649 0.006 . 1 . . . . 513 ILE QD1 . 25007 1 830 . 1 1 65 65 ILE HD13 H 1 0.649 0.006 . 1 . . . . 513 ILE QD1 . 25007 1 831 . 1 1 65 65 ILE C C 13 175.456 0.062 . 1 . . . . 513 ILE C . 25007 1 832 . 1 1 65 65 ILE CA C 13 59.184 0.056 . 1 . . . . 513 ILE CA . 25007 1 833 . 1 1 65 65 ILE CB C 13 40.899 0.079 . 1 . . . . 513 ILE CB . 25007 1 834 . 1 1 65 65 ILE CG1 C 13 29.076 0.077 . 1 . . . . 513 ILE CG1 . 25007 1 835 . 1 1 65 65 ILE CG2 C 13 17.671 0.077 . 1 . . . . 513 ILE CG2 . 25007 1 836 . 1 1 65 65 ILE CD1 C 13 14.637 0.075 . 1 . . . . 513 ILE CD1 . 25007 1 837 . 1 1 65 65 ILE N N 15 127.359 0.072 . 1 . . . . 513 ILE N . 25007 1 838 . 1 1 66 66 ILE H H 1 8.929 0.004 . 1 . . . . 514 ILE H . 25007 1 839 . 1 1 66 66 ILE HA H 1 4.391 0.006 . 1 . . . . 514 ILE HA . 25007 1 840 . 1 1 66 66 ILE HB H 1 1.568 0.002 . 1 . . . . 514 ILE HB . 25007 1 841 . 1 1 66 66 ILE HG12 H 1 0.924 0.007 . 1 . . . . 514 ILE HG12 . 25007 1 842 . 1 1 66 66 ILE HG13 H 1 1.391 0.003 . 1 . . . . 514 ILE HG13 . 25007 1 843 . 1 1 66 66 ILE HG21 H 1 0.68 0.004 . 1 . . . . 514 ILE QG2 . 25007 1 844 . 1 1 66 66 ILE HG22 H 1 0.68 0.004 . 1 . . . . 514 ILE QG2 . 25007 1 845 . 1 1 66 66 ILE HG23 H 1 0.68 0.004 . 1 . . . . 514 ILE QG2 . 25007 1 846 . 1 1 66 66 ILE HD11 H 1 0.709 0.005 . 1 . . . . 514 ILE QD1 . 25007 1 847 . 1 1 66 66 ILE HD12 H 1 0.709 0.005 . 1 . . . . 514 ILE QD1 . 25007 1 848 . 1 1 66 66 ILE HD13 H 1 0.709 0.005 . 1 . . . . 514 ILE QD1 . 25007 1 849 . 1 1 66 66 ILE C C 13 175.544 0 . 1 . . . . 514 ILE C . 25007 1 850 . 1 1 66 66 ILE CA C 13 60.181 0.102 . 1 . . . . 514 ILE CA . 25007 1 851 . 1 1 66 66 ILE CB C 13 39.58 0.075 . 1 . . . . 514 ILE CB . 25007 1 852 . 1 1 66 66 ILE CG1 C 13 27.011 0.001 . 1 . . . . 514 ILE CG1 . 25007 1 853 . 1 1 66 66 ILE CG2 C 13 17.022 0.072 . 1 . . . . 514 ILE CG2 . 25007 1 854 . 1 1 66 66 ILE CD1 C 13 13.934 0.091 . 1 . . . . 514 ILE CD1 . 25007 1 855 . 1 1 66 66 ILE N N 15 126.969 0.047 . 1 . . . . 514 ILE N . 25007 1 856 . 1 1 67 67 ASN H H 1 8.112 0.008 . 1 . . . . 515 ASN H . 25007 1 857 . 1 1 67 67 ASN HA H 1 4.187 0.003 . 1 . . . . 515 ASN HA . 25007 1 858 . 1 1 67 67 ASN HB2 H 1 2.638 0.007 . 2 . . . . 515 ASN QB . 25007 1 859 . 1 1 67 67 ASN HB3 H 1 2.638 0.007 . 2 . . . . 515 ASN QB . 25007 1 860 . 1 1 67 67 ASN HD21 H 1 6.488 0.006 . 2 . . . . 515 ASN HD21 . 25007 1 861 . 1 1 67 67 ASN HD22 H 1 7.229 0.007 . 2 . . . . 515 ASN HD22 . 25007 1 862 . 1 1 67 67 ASN C C 13 174.955 0.003 . 1 . . . . 515 ASN C . 25007 1 863 . 1 1 67 67 ASN CA C 13 57.082 0.026 . 1 . . . . 515 ASN CA . 25007 1 864 . 1 1 67 67 ASN CB C 13 38.847 0.081 . 1 . . . . 515 ASN CB . 25007 1 865 . 1 1 67 67 ASN N N 15 124.537 0.033 . 1 . . . . 515 ASN N . 25007 1 866 . 1 1 67 67 ASN ND2 N 15 112.493 0.022 . 1 . . . . 515 ASN ND2 . 25007 1 867 . 1 1 68 68 GLU H H 1 8.156 0.003 . 1 . . . . 516 GLU H . 25007 1 868 . 1 1 68 68 GLU HA H 1 3.78 0.008 . 1 . . . . 516 GLU HA . 25007 1 869 . 1 1 68 68 GLU HB2 H 1 1.776 0.007 . 2 . . . . 516 GLU QB . 25007 1 870 . 1 1 68 68 GLU HB3 H 1 1.776 0.007 . 2 . . . . 516 GLU QB . 25007 1 871 . 1 1 68 68 GLU HG2 H 1 2.08 0.005 . 2 . . . . 516 GLU QG . 25007 1 872 . 1 1 68 68 GLU HG3 H 1 2.08 0.005 . 2 . . . . 516 GLU QG . 25007 1 873 . 1 1 68 68 GLU C C 13 173.992 0.004 . 1 . . . . 516 GLU C . 25007 1 874 . 1 1 68 68 GLU CA C 13 55.067 0.065 . 1 . . . . 516 GLU CA . 25007 1 875 . 1 1 68 68 GLU CB C 13 31.592 0.027 . 1 . . . . 516 GLU CB . 25007 1 876 . 1 1 68 68 GLU CG C 13 36.182 0.05 . 1 . . . . 516 GLU CG . 25007 1 877 . 1 1 68 68 GLU N N 15 117.395 0.022 . 1 . . . . 516 GLU N . 25007 1 878 . 1 1 69 69 ALA H H 1 8.703 0.003 . 1 . . . . 517 ALA H . 25007 1 879 . 1 1 69 69 ALA HA H 1 4.145 0.004 . 1 . . . . 517 ALA HA . 25007 1 880 . 1 1 69 69 ALA HB1 H 1 1.257 0.003 . 1 . . . . 517 ALA QB . 25007 1 881 . 1 1 69 69 ALA HB2 H 1 1.257 0.003 . 1 . . . . 517 ALA QB . 25007 1 882 . 1 1 69 69 ALA HB3 H 1 1.257 0.003 . 1 . . . . 517 ALA QB . 25007 1 883 . 1 1 69 69 ALA C C 13 177.314 0.002 . 1 . . . . 517 ALA C . 25007 1 884 . 1 1 69 69 ALA CA C 13 53.495 0.136 . 1 . . . . 517 ALA CA . 25007 1 885 . 1 1 69 69 ALA CB C 13 18.842 0.087 . 1 . . . . 517 ALA CB . 25007 1 886 . 1 1 69 69 ALA N N 15 125.988 0.032 . 1 . . . . 517 ALA N . 25007 1 887 . 1 1 70 70 MET H H 1 9.802 0.004 . 1 . . . . 518 MET H . 25007 1 888 . 1 1 70 70 MET HA H 1 4.845 0.005 . 1 . . . . 518 MET HA . 25007 1 889 . 1 1 70 70 MET HB2 H 1 1.771 0.01 . 1 . . . . 518 MET HB2 . 25007 1 890 . 1 1 70 70 MET HB3 H 1 2.392 0.008 . 1 . . . . 518 MET HB3 . 25007 1 891 . 1 1 70 70 MET HG2 H 1 2.585 0.007 . 1 . . . . 518 MET HG2 . 25007 1 892 . 1 1 70 70 MET HG3 H 1 2.77 0.008 . 1 . . . . 518 MET HG3 . 25007 1 893 . 1 1 70 70 MET HE1 H 1 2.108 0 . 1 . . . . 518 MET QE . 25007 1 894 . 1 1 70 70 MET HE2 H 1 2.108 0 . 1 . . . . 518 MET QE . 25007 1 895 . 1 1 70 70 MET HE3 H 1 2.108 0 . 1 . . . . 518 MET QE . 25007 1 896 . 1 1 70 70 MET C C 13 177.647 0.006 . 1 . . . . 518 MET C . 25007 1 897 . 1 1 70 70 MET CA C 13 53.07 0.088 . 1 . . . . 518 MET CA . 25007 1 898 . 1 1 70 70 MET CB C 13 35.877 0.044 . 1 . . . . 518 MET CB . 25007 1 899 . 1 1 70 70 MET CG C 13 32.172 0.081 . 1 . . . . 518 MET CG . 25007 1 900 . 1 1 70 70 MET CE C 13 16.928 0 . 1 . . . . 518 MET CE . 25007 1 901 . 1 1 70 70 MET N N 15 123.199 0.008 . 1 . . . . 518 MET N . 25007 1 902 . 1 1 71 71 LEU H H 1 9.097 0.003 . 1 . . . . 519 LEU H . 25007 1 903 . 1 1 71 71 LEU HA H 1 3.822 0.006 . 1 . . . . 519 LEU HA . 25007 1 904 . 1 1 71 71 LEU HB2 H 1 1.512 0.004 . 1 . . . . 519 LEU HB2 . 25007 1 905 . 1 1 71 71 LEU HB3 H 1 1.739 0.015 . 1 . . . . 519 LEU HB3 . 25007 1 906 . 1 1 71 71 LEU HG H 1 1.694 0.005 . 1 . . . . 519 LEU HG . 25007 1 907 . 1 1 71 71 LEU HD11 H 1 0.775 0.009 . 2 . . . . 519 LEU QD1 . 25007 1 908 . 1 1 71 71 LEU HD12 H 1 0.775 0.009 . 2 . . . . 519 LEU QD1 . 25007 1 909 . 1 1 71 71 LEU HD13 H 1 0.775 0.009 . 2 . . . . 519 LEU QD1 . 25007 1 910 . 1 1 71 71 LEU HD21 H 1 0.956 0.008 . 2 . . . . 519 LEU QD2 . 25007 1 911 . 1 1 71 71 LEU HD22 H 1 0.956 0.008 . 2 . . . . 519 LEU QD2 . 25007 1 912 . 1 1 71 71 LEU HD23 H 1 0.956 0.008 . 2 . . . . 519 LEU QD2 . 25007 1 913 . 1 1 71 71 LEU C C 13 180.76 0.004 . 1 . . . . 519 LEU C . 25007 1 914 . 1 1 71 71 LEU CA C 13 59.358 0.087 . 1 . . . . 519 LEU CA . 25007 1 915 . 1 1 71 71 LEU CB C 13 40.91 0.063 . 1 . . . . 519 LEU CB . 25007 1 916 . 1 1 71 71 LEU CG C 13 27.008 0.081 . 1 . . . . 519 LEU CG . 25007 1 917 . 1 1 71 71 LEU CD1 C 13 22.919 0.08 . 1 . . . . 519 LEU CD1 . 25007 1 918 . 1 1 71 71 LEU CD2 C 13 25.262 0.27 . 1 . . . . 519 LEU CD2 . 25007 1 919 . 1 1 71 71 LEU N N 15 123.266 0.041 . 1 . . . . 519 LEU N . 25007 1 920 . 1 1 72 72 GLU H H 1 9.071 0.005 . 1 . . . . 520 GLU H . 25007 1 921 . 1 1 72 72 GLU HA H 1 4.243 0.005 . 1 . . . . 520 GLU HA . 25007 1 922 . 1 1 72 72 GLU HB2 H 1 2.103 0.01 . 2 . . . . 520 GLU QB . 25007 1 923 . 1 1 72 72 GLU HB3 H 1 2.103 0.01 . 2 . . . . 520 GLU QB . 25007 1 924 . 1 1 72 72 GLU HG2 H 1 2.202 0.014 . 1 . . . . 520 GLU HG2 . 25007 1 925 . 1 1 72 72 GLU HG3 H 1 2.307 0.015 . 1 . . . . 520 GLU HG3 . 25007 1 926 . 1 1 72 72 GLU C C 13 176.447 0.011 . 1 . . . . 520 GLU C . 25007 1 927 . 1 1 72 72 GLU CA C 13 58.255 0.121 . 1 . . . . 520 GLU CA . 25007 1 928 . 1 1 72 72 GLU CB C 13 28.497 0.107 . 1 . . . . 520 GLU CB . 25007 1 929 . 1 1 72 72 GLU CG C 13 36.002 0 . 1 . . . . 520 GLU CG . 25007 1 930 . 1 1 72 72 GLU N N 15 115.379 0.032 . 1 . . . . 520 GLU N . 25007 1 931 . 1 1 73 73 ASP H H 1 8.089 0.004 . 1 . . . . 521 ASP H . 25007 1 932 . 1 1 73 73 ASP HA H 1 4.65 0 . 1 . . . . 521 ASP HA . 25007 1 933 . 1 1 73 73 ASP HB2 H 1 2.915 0 . 2 . . . . 521 ASP HB2 . 25007 1 934 . 1 1 73 73 ASP HB3 H 1 2.658 0 . 2 . . . . 521 ASP HB3 . 25007 1 935 . 1 1 73 73 ASP C C 13 176.747 0.014 . 1 . . . . 521 ASP C . 25007 1 936 . 1 1 73 73 ASP CA C 13 55.79 0.075 . 1 . . . . 521 ASP CA . 25007 1 937 . 1 1 73 73 ASP CB C 13 40.882 0.184 . 1 . . . . 521 ASP CB . 25007 1 938 . 1 1 73 73 ASP N N 15 117.057 0.048 . 1 . . . . 521 ASP N . 25007 1 939 . 1 1 74 74 ALA H H 1 7.56 0.004 . 1 . . . . 522 ALA H . 25007 1 940 . 1 1 74 74 ALA HA H 1 4.138 0.011 . 1 . . . . 522 ALA HA . 25007 1 941 . 1 1 74 74 ALA HB1 H 1 1.661 0.004 . 1 . . . . 522 ALA QB . 25007 1 942 . 1 1 74 74 ALA HB2 H 1 1.661 0.004 . 1 . . . . 522 ALA QB . 25007 1 943 . 1 1 74 74 ALA HB3 H 1 1.661 0.004 . 1 . . . . 522 ALA QB . 25007 1 944 . 1 1 74 74 ALA C C 13 176.493 0.003 . 1 . . . . 522 ALA C . 25007 1 945 . 1 1 74 74 ALA CA C 13 53.668 0.028 . 1 . . . . 522 ALA CA . 25007 1 946 . 1 1 74 74 ALA CB C 13 19.822 0.067 . 1 . . . . 522 ALA CB . 25007 1 947 . 1 1 74 74 ALA N N 15 123.576 0.028 . 1 . . . . 522 ALA N . 25007 1 948 . 1 1 75 75 GLY H H 1 8.486 0.003 . 1 . . . . 523 GLY H . 25007 1 949 . 1 1 75 75 GLY HA2 H 1 4.024 0.006 . 1 . . . . 523 GLY HA2 . 25007 1 950 . 1 1 75 75 GLY HA3 H 1 4.63 0.008 . 1 . . . . 523 GLY HA3 . 25007 1 951 . 1 1 75 75 GLY C C 13 171.581 0.004 . 1 . . . . 523 GLY C . 25007 1 952 . 1 1 75 75 GLY CA C 13 44.966 0.147 . 1 . . . . 523 GLY CA . 25007 1 953 . 1 1 75 75 GLY N N 15 107.939 0.059 . 1 . . . . 523 GLY N . 25007 1 954 . 1 1 76 76 HIS H H 1 9.138 0.009 . 1 . . . . 524 HIS H . 25007 1 955 . 1 1 76 76 HIS HA H 1 5.284 0 . 1 . . . . 524 HIS HA . 25007 1 956 . 1 1 76 76 HIS HB2 H 1 3.148 0 . 2 . . . . 524 HIS HB2 . 25007 1 957 . 1 1 76 76 HIS HB3 H 1 2.972 0 . 2 . . . . 524 HIS HB3 . 25007 1 958 . 1 1 76 76 HIS HD2 H 1 6.987 0.004 . 1 . . . . 524 HIS HD2 . 25007 1 959 . 1 1 76 76 HIS HE1 H 1 8.19 0 . 1 . . . . 524 HIS HE1 . 25007 1 960 . 1 1 76 76 HIS C C 13 174.529 0.016 . 1 . . . . 524 HIS C . 25007 1 961 . 1 1 76 76 HIS CA C 13 55.966 0.177 . 1 . . . . 524 HIS CA . 25007 1 962 . 1 1 76 76 HIS CB C 13 29.911 0.127 . 1 . . . . 524 HIS CB . 25007 1 963 . 1 1 76 76 HIS CE1 C 13 137.306 0 . 1 . . . . 524 HIS CE1 . 25007 1 964 . 1 1 76 76 HIS N N 15 119.624 0.094 . 1 . . . . 524 HIS N . 25007 1 965 . 1 1 77 77 TYR H H 1 9.571 0.006 . 1 . . . . 525 TYR H . 25007 1 966 . 1 1 77 77 TYR HA H 1 5.188 0 . 1 . . . . 525 TYR HA . 25007 1 967 . 1 1 77 77 TYR HB2 H 1 2.265 0 . 1 . . . . 525 TYR HB2 . 25007 1 968 . 1 1 77 77 TYR HB3 H 1 2.145 0 . 1 . . . . 525 TYR HB3 . 25007 1 969 . 1 1 77 77 TYR HD1 H 1 7.189 0.003 . 3 . . . . 525 TYR HD1 . 25007 1 970 . 1 1 77 77 TYR HD2 H 1 7.18 0.006 . 3 . . . . 525 TYR HD2 . 25007 1 971 . 1 1 77 77 TYR HE1 H 1 6.896 0.003 . 1 . . . . 525 TYR HE1 . 25007 1 972 . 1 1 77 77 TYR HE2 H 1 6.896 0 . 1 . . . . 525 TYR HE2 . 25007 1 973 . 1 1 77 77 TYR C C 13 173.765 0.005 . 1 . . . . 525 TYR C . 25007 1 974 . 1 1 77 77 TYR CA C 13 57.235 0.038 . 1 . . . . 525 TYR CA . 25007 1 975 . 1 1 77 77 TYR CB C 13 40.847 0.108 . 1 . . . . 525 TYR CB . 25007 1 976 . 1 1 77 77 TYR CD1 C 13 133.606 0.133 . 3 . . . . 525 TYR CD1 . 25007 1 977 . 1 1 77 77 TYR CD2 C 13 133.387 0.036 . 3 . . . . 525 TYR CD2 . 25007 1 978 . 1 1 77 77 TYR CE1 C 13 118.577 0.012 . 3 . . . . 525 TYR CE1 . 25007 1 979 . 1 1 77 77 TYR CE2 C 13 118.724 0 . 3 . . . . 525 TYR CE2 . 25007 1 980 . 1 1 77 77 TYR N N 15 127.402 0.024 . 1 . . . . 525 TYR N . 25007 1 981 . 1 1 78 78 ALA H H 1 9.096 0.004 . 1 . . . . 526 ALA H . 25007 1 982 . 1 1 78 78 ALA HA H 1 5.595 0.007 . 1 . . . . 526 ALA HA . 25007 1 983 . 1 1 78 78 ALA HB1 H 1 1.16 0.005 . 1 . . . . 526 ALA QB . 25007 1 984 . 1 1 78 78 ALA HB2 H 1 1.16 0.005 . 1 . . . . 526 ALA QB . 25007 1 985 . 1 1 78 78 ALA HB3 H 1 1.16 0.005 . 1 . . . . 526 ALA QB . 25007 1 986 . 1 1 78 78 ALA C C 13 175.256 0.002 . 1 . . . . 526 ALA C . 25007 1 987 . 1 1 78 78 ALA CA C 13 49.674 0.054 . 1 . . . . 526 ALA CA . 25007 1 988 . 1 1 78 78 ALA CB C 13 24.106 0.062 . 1 . . . . 526 ALA CB . 25007 1 989 . 1 1 78 78 ALA N N 15 121.895 0.021 . 1 . . . . 526 ALA N . 25007 1 990 . 1 1 79 79 LEU H H 1 8.164 0.004 . 1 . . . . 527 LEU H . 25007 1 991 . 1 1 79 79 LEU HA H 1 4.566 0.006 . 1 . . . . 527 LEU HA . 25007 1 992 . 1 1 79 79 LEU HB2 H 1 0.383 0.009 . 1 . . . . 527 LEU HB2 . 25007 1 993 . 1 1 79 79 LEU HB3 H 1 1.146 0.004 . 1 . . . . 527 LEU HB3 . 25007 1 994 . 1 1 79 79 LEU HG H 1 0.67 0.003 . 1 . . . . 527 LEU HG . 25007 1 995 . 1 1 79 79 LEU HD11 H 1 -0.316 0.005 . 2 . . . . 527 LEU QD1 . 25007 1 996 . 1 1 79 79 LEU HD12 H 1 -0.316 0.005 . 2 . . . . 527 LEU QD1 . 25007 1 997 . 1 1 79 79 LEU HD13 H 1 -0.316 0.005 . 2 . . . . 527 LEU QD1 . 25007 1 998 . 1 1 79 79 LEU HD21 H 1 -0.2 0.006 . 2 . . . . 527 LEU QD2 . 25007 1 999 . 1 1 79 79 LEU HD22 H 1 -0.2 0.006 . 2 . . . . 527 LEU QD2 . 25007 1 1000 . 1 1 79 79 LEU HD23 H 1 -0.2 0.006 . 2 . . . . 527 LEU QD2 . 25007 1 1001 . 1 1 79 79 LEU C C 13 175.945 0.01 . 1 . . . . 527 LEU C . 25007 1 1002 . 1 1 79 79 LEU CA C 13 52.867 0.068 . 1 . . . . 527 LEU CA . 25007 1 1003 . 1 1 79 79 LEU CB C 13 42.946 0.077 . 1 . . . . 527 LEU CB . 25007 1 1004 . 1 1 79 79 LEU CG C 13 27.058 0.043 . 1 . . . . 527 LEU CG . 25007 1 1005 . 1 1 79 79 LEU CD1 C 13 24.064 0.127 . 2 . . . . 527 LEU CD1 . 25007 1 1006 . 1 1 79 79 LEU CD2 C 13 23.454 0.136 . 2 . . . . 527 LEU CD2 . 25007 1 1007 . 1 1 79 79 LEU N N 15 121.83 0.02 . 1 . . . . 527 LEU N . 25007 1 1008 . 1 1 80 80 CYS H H 1 8.974 0.003 . 1 . . . . 528 CYS H . 25007 1 1009 . 1 1 80 80 CYS HA H 1 4.983 0.007 . 1 . . . . 528 CYS HA . 25007 1 1010 . 1 1 80 80 CYS HB2 H 1 2.932 0.008 . 2 . . . . 528 CYS HB2 . 25007 1 1011 . 1 1 80 80 CYS HB3 H 1 2.594 0.007 . 2 . . . . 528 CYS HB3 . 25007 1 1012 . 1 1 80 80 CYS HG H 1 2.761 0 . 1 . . . . 528 CYS HG . 25007 1 1013 . 1 1 80 80 CYS C C 13 174.337 0.009 . 1 . . . . 528 CYS C . 25007 1 1014 . 1 1 80 80 CYS CA C 13 57.228 0.122 . 1 . . . . 528 CYS CA . 25007 1 1015 . 1 1 80 80 CYS CB C 13 29.887 0.098 . 1 . . . . 528 CYS CB . 25007 1 1016 . 1 1 80 80 CYS N N 15 122.905 0.025 . 1 . . . . 528 CYS N . 25007 1 1017 . 1 1 81 81 THR H H 1 8.66 0.004 . 1 . . . . 529 THR H . 25007 1 1018 . 1 1 81 81 THR HA H 1 4.693 0.002 . 1 . . . . 529 THR HA . 25007 1 1019 . 1 1 81 81 THR HB H 1 4.342 0.009 . 1 . . . . 529 THR HB . 25007 1 1020 . 1 1 81 81 THR HG21 H 1 0.769 0.007 . 1 . . . . 529 THR QG2 . 25007 1 1021 . 1 1 81 81 THR HG22 H 1 0.769 0.007 . 1 . . . . 529 THR QG2 . 25007 1 1022 . 1 1 81 81 THR HG23 H 1 0.769 0.007 . 1 . . . . 529 THR QG2 . 25007 1 1023 . 1 1 81 81 THR C C 13 175.292 0.002 . 1 . . . . 529 THR C . 25007 1 1024 . 1 1 81 81 THR CA C 13 59.531 0.063 . 1 . . . . 529 THR CA . 25007 1 1025 . 1 1 81 81 THR CB C 13 71.282 0.233 . 1 . . . . 529 THR CB . 25007 1 1026 . 1 1 81 81 THR CG2 C 13 22.325 0.154 . 1 . . . . 529 THR CG2 . 25007 1 1027 . 1 1 81 81 THR N N 15 116.293 0.049 . 1 . . . . 529 THR N . 25007 1 1028 . 1 1 82 82 SER H H 1 9.373 0.005 . 1 . . . . 530 SER H . 25007 1 1029 . 1 1 82 82 SER HA H 1 4.255 0.003 . 1 . . . . 530 SER HA . 25007 1 1030 . 1 1 82 82 SER HB2 H 1 4.042 0.002 . 2 . . . . 530 SER QB . 25007 1 1031 . 1 1 82 82 SER HB3 H 1 4.042 0.002 . 2 . . . . 530 SER QB . 25007 1 1032 . 1 1 82 82 SER C C 13 175.719 0 . 1 . . . . 530 SER C . 25007 1 1033 . 1 1 82 82 SER CA C 13 59.97 0.086 . 1 . . . . 530 SER CA . 25007 1 1034 . 1 1 82 82 SER CB C 13 62.914 0.04 . 1 . . . . 530 SER CB . 25007 1 1035 . 1 1 82 82 SER N N 15 115.09 0.022 . 1 . . . . 530 SER N . 25007 1 1036 . 1 1 83 83 GLY H H 1 8.145 0.005 . 1 . . . . 531 GLY H . 25007 1 1037 . 1 1 83 83 GLY HA2 H 1 4.446 0.01 . 1 . . . . 531 GLY HA2 . 25007 1 1038 . 1 1 83 83 GLY HA3 H 1 3.487 0.009 . 1 . . . . 531 GLY HA3 . 25007 1 1039 . 1 1 83 83 GLY C C 13 173.708 0.002 . 1 . . . . 531 GLY C . 25007 1 1040 . 1 1 83 83 GLY CA C 13 45.032 0.156 . 1 . . . . 531 GLY CA . 25007 1 1041 . 1 1 83 83 GLY N N 15 108.629 0.029 . 1 . . . . 531 GLY N . 25007 1 1042 . 1 1 84 84 GLY H H 1 7.518 0.005 . 1 . . . . 532 GLY H . 25007 1 1043 . 1 1 84 84 GLY HA2 H 1 4.027 0.003 . 1 . . . . 532 GLY HA2 . 25007 1 1044 . 1 1 84 84 GLY HA3 H 1 4.152 0.014 . 1 . . . . 532 GLY HA3 . 25007 1 1045 . 1 1 84 84 GLY C C 13 170.571 0.001 . 1 . . . . 532 GLY C . 25007 1 1046 . 1 1 84 84 GLY CA C 13 45.443 0.173 . 1 . . . . 532 GLY CA . 25007 1 1047 . 1 1 84 84 GLY N N 15 109.085 0.021 . 1 . . . . 532 GLY N . 25007 1 1048 . 1 1 85 85 GLN H H 1 8.302 0.003 . 1 . . . . 533 GLN H . 25007 1 1049 . 1 1 85 85 GLN HA H 1 5.329 0.005 . 1 . . . . 533 GLN HA . 25007 1 1050 . 1 1 85 85 GLN HB2 H 1 1.95 0.015 . 2 . . . . 533 GLN QB . 25007 1 1051 . 1 1 85 85 GLN HB3 H 1 1.95 0.015 . 2 . . . . 533 GLN QB . 25007 1 1052 . 1 1 85 85 GLN HE21 H 1 6.659 0 . 2 . . . . 533 GLN HE21 . 25007 1 1053 . 1 1 85 85 GLN HE22 H 1 7.056 0 . 2 . . . . 533 GLN HE22 . 25007 1 1054 . 1 1 85 85 GLN C C 13 174.087 0.007 . 1 . . . . 533 GLN C . 25007 1 1055 . 1 1 85 85 GLN CA C 13 54.453 0.09 . 1 . . . . 533 GLN CA . 25007 1 1056 . 1 1 85 85 GLN CB C 13 32.474 0.053 . 1 . . . . 533 GLN CB . 25007 1 1057 . 1 1 85 85 GLN CG C 13 33.656 0.05 . 1 . . . . 533 GLN CG . 25007 1 1058 . 1 1 85 85 GLN N N 15 116.769 0.021 . 1 . . . . 533 GLN N . 25007 1 1059 . 1 1 85 85 GLN NE2 N 15 109.986 0 . 1 . . . . 533 GLN NE2 . 25007 1 1060 . 1 1 86 86 ALA H H 1 8.863 0.006 . 1 . . . . 534 ALA H . 25007 1 1061 . 1 1 86 86 ALA HA H 1 4.845 0.007 . 1 . . . . 534 ALA HA . 25007 1 1062 . 1 1 86 86 ALA HB1 H 1 1.511 0.003 . 1 . . . . 534 ALA QB . 25007 1 1063 . 1 1 86 86 ALA HB2 H 1 1.511 0.003 . 1 . . . . 534 ALA QB . 25007 1 1064 . 1 1 86 86 ALA HB3 H 1 1.511 0.003 . 1 . . . . 534 ALA QB . 25007 1 1065 . 1 1 86 86 ALA C C 13 174.509 0.005 . 1 . . . . 534 ALA C . 25007 1 1066 . 1 1 86 86 ALA CA C 13 50.792 0.067 . 1 . . . . 534 ALA CA . 25007 1 1067 . 1 1 86 86 ALA CB C 13 22.023 0.055 . 1 . . . . 534 ALA CB . 25007 1 1068 . 1 1 86 86 ALA N N 15 126.978 0.156 . 1 . . . . 534 ALA N . 25007 1 1069 . 1 1 87 87 LEU H H 1 8.438 0.004 . 1 . . . . 535 LEU H . 25007 1 1070 . 1 1 87 87 LEU HA H 1 5.386 0.009 . 1 . . . . 535 LEU HA . 25007 1 1071 . 1 1 87 87 LEU HB2 H 1 1.546 0.008 . 1 . . . . 535 LEU HB2 . 25007 1 1072 . 1 1 87 87 LEU HB3 H 1 1.693 0.009 . 1 . . . . 535 LEU HB3 . 25007 1 1073 . 1 1 87 87 LEU HG H 1 1.563 0.001 . 1 . . . . 535 LEU HG . 25007 1 1074 . 1 1 87 87 LEU HD11 H 1 0.784 0.008 . 2 . . . . 535 LEU QD1 . 25007 1 1075 . 1 1 87 87 LEU HD12 H 1 0.784 0.008 . 2 . . . . 535 LEU QD1 . 25007 1 1076 . 1 1 87 87 LEU HD13 H 1 0.784 0.008 . 2 . . . . 535 LEU QD1 . 25007 1 1077 . 1 1 87 87 LEU HD21 H 1 0.835 0.002 . 2 . . . . 535 LEU QD2 . 25007 1 1078 . 1 1 87 87 LEU HD22 H 1 0.835 0.002 . 2 . . . . 535 LEU QD2 . 25007 1 1079 . 1 1 87 87 LEU HD23 H 1 0.835 0.002 . 2 . . . . 535 LEU QD2 . 25007 1 1080 . 1 1 87 87 LEU C C 13 176.477 0.003 . 1 . . . . 535 LEU C . 25007 1 1081 . 1 1 87 87 LEU CA C 13 54.253 0.102 . 1 . . . . 535 LEU CA . 25007 1 1082 . 1 1 87 87 LEU CB C 13 46.315 0.072 . 1 . . . . 535 LEU CB . 25007 1 1083 . 1 1 87 87 LEU CG C 13 27.675 0.14 . 1 . . . . 535 LEU CG . 25007 1 1084 . 1 1 87 87 LEU CD1 C 13 25.052 0.165 . 2 . . . . 535 LEU CD1 . 25007 1 1085 . 1 1 87 87 LEU CD2 C 13 25.041 0.074 . 2 . . . . 535 LEU CD2 . 25007 1 1086 . 1 1 87 87 LEU N N 15 122.725 0.021 . 1 . . . . 535 LEU N . 25007 1 1087 . 1 1 88 88 ALA H H 1 9.336 0.004 . 1 . . . . 536 ALA H . 25007 1 1088 . 1 1 88 88 ALA HA H 1 4.74 0.002 . 1 . . . . 536 ALA HA . 25007 1 1089 . 1 1 88 88 ALA HB1 H 1 1.374 0.004 . 1 . . . . 536 ALA QB . 25007 1 1090 . 1 1 88 88 ALA HB2 H 1 1.374 0.004 . 1 . . . . 536 ALA QB . 25007 1 1091 . 1 1 88 88 ALA HB3 H 1 1.374 0.004 . 1 . . . . 536 ALA QB . 25007 1 1092 . 1 1 88 88 ALA C C 13 174.31 0.004 . 1 . . . . 536 ALA C . 25007 1 1093 . 1 1 88 88 ALA CA C 13 51.928 0.055 . 1 . . . . 536 ALA CA . 25007 1 1094 . 1 1 88 88 ALA CB C 13 24.477 0.103 . 1 . . . . 536 ALA CB . 25007 1 1095 . 1 1 88 88 ALA N N 15 125.405 0.053 . 1 . . . . 536 ALA N . 25007 1 1096 . 1 1 89 89 GLU H H 1 9.296 0.007 . 1 . . . . 537 GLU H . 25007 1 1097 . 1 1 89 89 GLU HA H 1 4.919 0 . 1 . . . . 537 GLU HA . 25007 1 1098 . 1 1 89 89 GLU HB2 H 1 1.668 0 . 2 . . . . 537 GLU QB . 25007 1 1099 . 1 1 89 89 GLU HB3 H 1 1.668 0 . 2 . . . . 537 GLU QB . 25007 1 1100 . 1 1 89 89 GLU C C 13 174.79 0.001 . 1 . . . . 537 GLU C . 25007 1 1101 . 1 1 89 89 GLU CA C 13 54.758 0.147 . 1 . . . . 537 GLU CA . 25007 1 1102 . 1 1 89 89 GLU CB C 13 32.505 0.218 . 1 . . . . 537 GLU CB . 25007 1 1103 . 1 1 89 89 GLU CG C 13 36.205 0 . 1 . . . . 537 GLU CG . 25007 1 1104 . 1 1 89 89 GLU N N 15 121.895 0.029 . 1 . . . . 537 GLU N . 25007 1 1105 . 1 1 90 90 LEU H H 1 9.274 0.006 . 1 . . . . 538 LEU H . 25007 1 1106 . 1 1 90 90 LEU HA H 1 5.365 0.01 . 1 . . . . 538 LEU HA . 25007 1 1107 . 1 1 90 90 LEU HB2 H 1 2.408 0.007 . 1 . . . . 538 LEU HB2 . 25007 1 1108 . 1 1 90 90 LEU HB3 H 1 1.503 0.006 . 1 . . . . 538 LEU HB3 . 25007 1 1109 . 1 1 90 90 LEU HG H 1 1.296 0.006 . 1 . . . . 538 LEU HG . 25007 1 1110 . 1 1 90 90 LEU HD11 H 1 0.784 0.002 . 2 . . . . 538 LEU QD1 . 25007 1 1111 . 1 1 90 90 LEU HD12 H 1 0.784 0.002 . 2 . . . . 538 LEU QD1 . 25007 1 1112 . 1 1 90 90 LEU HD13 H 1 0.784 0.002 . 2 . . . . 538 LEU QD1 . 25007 1 1113 . 1 1 90 90 LEU HD21 H 1 0.746 0.009 . 2 . . . . 538 LEU QD2 . 25007 1 1114 . 1 1 90 90 LEU HD22 H 1 0.746 0.009 . 2 . . . . 538 LEU QD2 . 25007 1 1115 . 1 1 90 90 LEU HD23 H 1 0.746 0.009 . 2 . . . . 538 LEU QD2 . 25007 1 1116 . 1 1 90 90 LEU C C 13 175.931 0.025 . 1 . . . . 538 LEU C . 25007 1 1117 . 1 1 90 90 LEU CA C 13 53.389 0.09 . 1 . . . . 538 LEU CA . 25007 1 1118 . 1 1 90 90 LEU CB C 13 45.315 0.079 . 1 . . . . 538 LEU CB . 25007 1 1119 . 1 1 90 90 LEU CG C 13 28.064 0.033 . 1 . . . . 538 LEU CG . 25007 1 1120 . 1 1 90 90 LEU CD1 C 13 25.243 0 . 2 . . . . 538 LEU CD1 . 25007 1 1121 . 1 1 90 90 LEU CD2 C 13 25.616 0.02 . 2 . . . . 538 LEU CD2 . 25007 1 1122 . 1 1 90 90 LEU N N 15 125.064 0.143 . 1 . . . . 538 LEU N . 25007 1 1123 . 1 1 91 91 ILE H H 1 8.867 0.007 . 1 . . . . 539 ILE H . 25007 1 1124 . 1 1 91 91 ILE HA H 1 4.282 0.009 . 1 . . . . 539 ILE HA . 25007 1 1125 . 1 1 91 91 ILE HB H 1 1.777 0.006 . 1 . . . . 539 ILE HB . 25007 1 1126 . 1 1 91 91 ILE HG12 H 1 1.488 0 . 1 . . . . 539 ILE HG12 . 25007 1 1127 . 1 1 91 91 ILE HG13 H 1 1.132 0.005 . 1 . . . . 539 ILE HG13 . 25007 1 1128 . 1 1 91 91 ILE HG21 H 1 0.881 0.006 . 1 . . . . 539 ILE QG2 . 25007 1 1129 . 1 1 91 91 ILE HG22 H 1 0.881 0.006 . 1 . . . . 539 ILE QG2 . 25007 1 1130 . 1 1 91 91 ILE HG23 H 1 0.881 0.006 . 1 . . . . 539 ILE QG2 . 25007 1 1131 . 1 1 91 91 ILE HD11 H 1 0.873 0.017 . 1 . . . . 539 ILE QD1 . 25007 1 1132 . 1 1 91 91 ILE HD12 H 1 0.873 0.017 . 1 . . . . 539 ILE QD1 . 25007 1 1133 . 1 1 91 91 ILE HD13 H 1 0.873 0.017 . 1 . . . . 539 ILE QD1 . 25007 1 1134 . 1 1 91 91 ILE C C 13 173.958 0.009 . 1 . . . . 539 ILE C . 25007 1 1135 . 1 1 91 91 ILE CA C 13 61.171 0.043 . 1 . . . . 539 ILE CA . 25007 1 1136 . 1 1 91 91 ILE CB C 13 39.901 0.068 . 1 . . . . 539 ILE CB . 25007 1 1137 . 1 1 91 91 ILE CG1 C 13 28.204 0.097 . 1 . . . . 539 ILE CG1 . 25007 1 1138 . 1 1 91 91 ILE CG2 C 13 17.553 0.04 . 1 . . . . 539 ILE CG2 . 25007 1 1139 . 1 1 91 91 ILE CD1 C 13 13.444 0.13 . 1 . . . . 539 ILE CD1 . 25007 1 1140 . 1 1 91 91 ILE N N 15 130.885 0.063 . 1 . . . . 539 ILE N . 25007 1 1141 . 1 1 92 92 VAL H H 1 7.88 0.003 . 1 . . . . 540 VAL H . 25007 1 1142 . 1 1 92 92 VAL HA H 1 4.77 0 . 1 . . . . 540 VAL HA . 25007 1 1143 . 1 1 92 92 VAL HB H 1 1.861 0.007 . 1 . . . . 540 VAL HB . 25007 1 1144 . 1 1 92 92 VAL HG11 H 1 0.56 0.004 . 2 . . . . 540 VAL QG1 . 25007 1 1145 . 1 1 92 92 VAL HG12 H 1 0.56 0.004 . 2 . . . . 540 VAL QG1 . 25007 1 1146 . 1 1 92 92 VAL HG13 H 1 0.56 0.004 . 2 . . . . 540 VAL QG1 . 25007 1 1147 . 1 1 92 92 VAL HG21 H 1 0.705 0.006 . 2 . . . . 540 VAL QG2 . 25007 1 1148 . 1 1 92 92 VAL HG22 H 1 0.705 0.006 . 2 . . . . 540 VAL QG2 . 25007 1 1149 . 1 1 92 92 VAL HG23 H 1 0.705 0.006 . 2 . . . . 540 VAL QG2 . 25007 1 1150 . 1 1 92 92 VAL C C 13 174.948 0.002 . 1 . . . . 540 VAL C . 25007 1 1151 . 1 1 92 92 VAL CA C 13 60.316 0.083 . 1 . . . . 540 VAL CA . 25007 1 1152 . 1 1 92 92 VAL CB C 13 33.691 0.106 . 1 . . . . 540 VAL CB . 25007 1 1153 . 1 1 92 92 VAL CG1 C 13 21.55 0.084 . 1 . . . . 540 VAL CG1 . 25007 1 1154 . 1 1 92 92 VAL CG2 C 13 19.64 0.066 . 1 . . . . 540 VAL CG2 . 25007 1 1155 . 1 1 92 92 VAL N N 15 125.478 0.022 . 1 . . . . 540 VAL N . 25007 1 1156 . 1 1 93 93 GLN H H 1 9.066 0.005 . 1 . . . . 541 GLN H . 25007 1 1157 . 1 1 93 93 GLN HA H 1 4.618 0 . 1 . . . . 541 GLN HA . 25007 1 1158 . 1 1 93 93 GLN HB2 H 1 2.08 0 . 2 . . . . 541 GLN QB . 25007 1 1159 . 1 1 93 93 GLN HB3 H 1 2.08 0 . 2 . . . . 541 GLN QB . 25007 1 1160 . 1 1 93 93 GLN HG2 H 1 2.265 0 . 2 . . . . 541 GLN QG . 25007 1 1161 . 1 1 93 93 GLN HG3 H 1 2.265 0 . 2 . . . . 541 GLN QG . 25007 1 1162 . 1 1 93 93 GLN HE21 H 1 7.298 0.001 . 1 . . . . 541 GLN HE21 . 25007 1 1163 . 1 1 93 93 GLN HE22 H 1 6.794 0 . 1 . . . . 541 GLN HE22 . 25007 1 1164 . 1 1 93 93 GLN C C 13 174.952 0.003 . 1 . . . . 541 GLN C . 25007 1 1165 . 1 1 93 93 GLN CA C 13 54.372 0.047 . 1 . . . . 541 GLN CA . 25007 1 1166 . 1 1 93 93 GLN CB C 13 31.571 0.036 . 1 . . . . 541 GLN CB . 25007 1 1167 . 1 1 93 93 GLN CG C 13 33.91 0.028 . 1 . . . . 541 GLN CG . 25007 1 1168 . 1 1 93 93 GLN N N 15 126.082 0.028 . 1 . . . . 541 GLN N . 25007 1 1169 . 1 1 93 93 GLN NE2 N 15 111.141 0 . 1 . . . . 541 GLN NE2 . 25007 1 1170 . 1 1 94 94 GLU H H 1 8.742 0.004 . 1 . . . . 542 GLU H . 25007 1 1171 . 1 1 94 94 GLU HA H 1 4.312 0.004 . 1 . . . . 542 GLU HA . 25007 1 1172 . 1 1 94 94 GLU HB2 H 1 1.995 0.002 . 1 . . . . 542 GLU HB2 . 25007 1 1173 . 1 1 94 94 GLU HB3 H 1 2.096 0.019 . 1 . . . . 542 GLU HB3 . 25007 1 1174 . 1 1 94 94 GLU HG2 H 1 2.266 0.003 . 2 . . . . 542 GLU HG2 . 25007 1 1175 . 1 1 94 94 GLU HG3 H 1 2.364 0.007 . 2 . . . . 542 GLU HG3 . 25007 1 1176 . 1 1 94 94 GLU C C 13 175.419 0 . 1 . . . . 542 GLU C . 25007 1 1177 . 1 1 94 94 GLU CA C 13 57.108 0.05 . 1 . . . . 542 GLU CA . 25007 1 1178 . 1 1 94 94 GLU CB C 13 31.266 0.041 . 1 . . . . 542 GLU CB . 25007 1 1179 . 1 1 94 94 GLU CG C 13 37.116 0.053 . 1 . . . . 542 GLU CG . 25007 1 1180 . 1 1 94 94 GLU N N 15 122.178 0.019 . 1 . . . . 542 GLU N . 25007 1 1181 . 1 1 95 95 LYS H H 1 7.951 0.004 . 1 . . . . 543 LYS H . 25007 1 1182 . 1 1 95 95 LYS HA H 1 4.155 0.001 . 1 . . . . 543 LYS HA . 25007 1 1183 . 1 1 95 95 LYS HB2 H 1 1.826 0.002 . 2 . . . . 543 LYS QB . 25007 1 1184 . 1 1 95 95 LYS HB3 H 1 1.826 0.002 . 2 . . . . 543 LYS QB . 25007 1 1185 . 1 1 95 95 LYS HG2 H 1 1.394 0.003 . 2 . . . . 543 LYS QG . 25007 1 1186 . 1 1 95 95 LYS HG3 H 1 1.394 0.003 . 2 . . . . 543 LYS QG . 25007 1 1187 . 1 1 95 95 LYS HD2 H 1 1.689 0.003 . 2 . . . . 543 LYS QD . 25007 1 1188 . 1 1 95 95 LYS HD3 H 1 1.689 0.003 . 2 . . . . 543 LYS QD . 25007 1 1189 . 1 1 95 95 LYS HE2 H 1 2.997 0.004 . 2 . . . . 543 LYS QE . 25007 1 1190 . 1 1 95 95 LYS HE3 H 1 2.997 0.004 . 2 . . . . 543 LYS QE . 25007 1 1191 . 1 1 95 95 LYS C C 13 180.846 0 . 1 . . . . 543 LYS C . 25007 1 1192 . 1 1 95 95 LYS CA C 13 57.812 0.127 . 1 . . . . 543 LYS CA . 25007 1 1193 . 1 1 95 95 LYS CB C 13 33.728 0 . 1 . . . . 543 LYS CB . 25007 1 1194 . 1 1 95 95 LYS CG C 13 24.553 0.03 . 1 . . . . 543 LYS CG . 25007 1 1195 . 1 1 95 95 LYS CD C 13 29.234 0.044 . 1 . . . . 543 LYS CD . 25007 1 1196 . 1 1 95 95 LYS N N 15 125.393 0.013 . 1 . . . . 543 LYS N . 25007 1 stop_ save_