data_11426 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11426 _Entry.Title ; Solution structure of SecDF periplasmic domain P4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-30 _Entry.Accession_date 2011-01-30 _Entry.Last_release_date 2012-01-30 _Entry.Original_release_date 2012-01-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Takeshi Tanaka . . . 11426 2 Tomoya Tsukazaki . . . 11426 3 Yuka Echizen . . . 11426 4 Osamu Nureki . . . 11426 5 Toshiyuki Kohno . . . 11426 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 'PSI, Protein Structure Initiative' 'not applicable' . 11426 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'periplasmic domain' . 11426 SecDF . 11426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 11426 '15N chemical shifts' 96 11426 '1H chemical shifts' 610 11426 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-30 2011-01-30 original author . 11426 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRN 'BMRB Entry Tracking System' 11426 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11426 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nature09980 _Citation.PubMed_ID 21562494 _Citation.Full_citation . _Citation.Title 'Structure and function of a membrane component SecDF that enhances protein export' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 474 _Citation.Journal_issue . _Citation.Journal_ASTM NATUAS _Citation.Journal_ISSN 1476-4687 _Citation.Journal_CSD 0006 _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 235 _Citation.Page_last 238 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tomoya Tsukazaki . . . 11426 1 2 Hiroyuki Mori . . . 11426 1 3 Yuka Echizen . . . 11426 1 4 Ryuichiro Ishitani . . . 11426 1 5 Shuya Fukai . . . 11426 1 6 Takeshi Tanaka . . . 11426 1 7 Anna Perederina . . . 11426 1 8 Dmitry Vassylyev . G. . 11426 1 9 Toshiyuki Kohno . . . 11426 1 10 Andres Maturana . D. . 11426 1 11 Koreaki Ito . . . 11426 1 12 Osamu Nureki . . . 11426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11426 _Assembly.ID 1 _Assembly.Name 'Probable SecDF protein-export membrane protein' _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 'periplasmic domain P4, residues 470-559' 1 $entity A . yes native no no . . . 11426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11426 _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 ; MVGFNYSIDFTGGTAYTLRA EPNVEVETLRRFLEEKGFPG KEAVITQVQAPTAAYREFLV KLPPLSDERRLELERLFASE LKATVLASETVG ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10291.784 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RRN . "Solution Structure Of Secdf Periplasmic Domain P4" . . . . . 100.00 92 100.00 100.00 4.61e-57 . . . . 11426 1 2 no PDB 3AQP . "Crystal Structure Of Secdf, A Translocon-associated Membrane Protein, From Thermus Thrmophilus" . . . . . 97.83 741 100.00 100.00 3.56e-51 . . . . 11426 1 3 no DBJ BAD70520 . "probable SecDF protein-export membrane protein [Thermus thermophilus HB8]" . . . . . 97.83 735 100.00 100.00 4.17e-51 . . . . 11426 1 4 no GB AAS80693 . "probable protein-export membrane protein [Thermus thermophilus HB27]" . . . . . 97.83 735 100.00 100.00 4.17e-51 . . . . 11426 1 5 no REF WP_011172795 . "preprotein translocase subunit SecDF [Thermus thermophilus]" . . . . . 97.83 735 100.00 100.00 4.17e-51 . . . . 11426 1 6 no REF YP_143963 . "bifunctional preprotein translocase subunit SecD/SecF [Thermus thermophilus HB8]" . . . . . 97.83 735 100.00 100.00 4.17e-51 . . . . 11426 1 7 no SP Q5SKE6 . "RecName: Full=Protein translocase subunit SecDF" . . . . . 97.83 735 100.00 100.00 4.17e-51 . . . . 11426 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 1 468 MET . 11426 1 2 469 VAL . 11426 1 3 470 GLY . 11426 1 4 471 PHE . 11426 1 5 472 ASN . 11426 1 6 473 TYR . 11426 1 7 474 SER . 11426 1 8 475 ILE . 11426 1 9 476 ASP . 11426 1 10 477 PHE . 11426 1 11 478 THR . 11426 1 12 479 GLY . 11426 1 13 480 GLY . 11426 1 14 481 THR . 11426 1 15 482 ALA . 11426 1 16 483 TYR . 11426 1 17 484 THR . 11426 1 18 485 LEU . 11426 1 19 486 ARG . 11426 1 20 487 ALA . 11426 1 21 488 GLU . 11426 1 22 489 PRO . 11426 1 23 490 ASN . 11426 1 24 491 VAL . 11426 1 25 492 GLU . 11426 1 26 493 VAL . 11426 1 27 494 GLU . 11426 1 28 495 THR . 11426 1 29 496 LEU . 11426 1 30 497 ARG . 11426 1 31 498 ARG . 11426 1 32 499 PHE . 11426 1 33 500 LEU . 11426 1 34 501 GLU . 11426 1 35 502 GLU . 11426 1 36 503 LYS . 11426 1 37 504 GLY . 11426 1 38 505 PHE . 11426 1 39 506 PRO . 11426 1 40 507 GLY . 11426 1 41 508 LYS . 11426 1 42 509 GLU . 11426 1 43 510 ALA . 11426 1 44 511 VAL . 11426 1 45 512 ILE . 11426 1 46 513 THR . 11426 1 47 514 GLN . 11426 1 48 515 VAL . 11426 1 49 516 GLN . 11426 1 50 517 ALA . 11426 1 51 518 PRO . 11426 1 52 519 THR . 11426 1 53 520 ALA . 11426 1 54 521 ALA . 11426 1 55 522 TYR . 11426 1 56 523 ARG . 11426 1 57 524 GLU . 11426 1 58 525 PHE . 11426 1 59 526 LEU . 11426 1 60 527 VAL . 11426 1 61 528 LYS . 11426 1 62 529 LEU . 11426 1 63 530 PRO . 11426 1 64 531 PRO . 11426 1 65 532 LEU . 11426 1 66 533 SER . 11426 1 67 534 ASP . 11426 1 68 535 GLU . 11426 1 69 536 ARG . 11426 1 70 537 ARG . 11426 1 71 538 LEU . 11426 1 72 539 GLU . 11426 1 73 540 LEU . 11426 1 74 541 GLU . 11426 1 75 542 ARG . 11426 1 76 543 LEU . 11426 1 77 544 PHE . 11426 1 78 545 ALA . 11426 1 79 546 SER . 11426 1 80 547 GLU . 11426 1 81 548 LEU . 11426 1 82 549 LYS . 11426 1 83 550 ALA . 11426 1 84 551 THR . 11426 1 85 552 VAL . 11426 1 86 553 LEU . 11426 1 87 554 ALA . 11426 1 88 555 SER . 11426 1 89 556 GLU . 11426 1 90 557 THR . 11426 1 91 558 VAL . 11426 1 92 559 GLY . 11426 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 . MET 1 1 11426 1 . VAL 2 2 11426 1 . GLY 3 3 11426 1 . PHE 4 4 11426 1 . ASN 5 5 11426 1 . TYR 6 6 11426 1 . SER 7 7 11426 1 . ILE 8 8 11426 1 . ASP 9 9 11426 1 . PHE 10 10 11426 1 . THR 11 11 11426 1 . GLY 12 12 11426 1 . GLY 13 13 11426 1 . THR 14 14 11426 1 . ALA 15 15 11426 1 . TYR 16 16 11426 1 . THR 17 17 11426 1 . LEU 18 18 11426 1 . ARG 19 19 11426 1 . ALA 20 20 11426 1 . GLU 21 21 11426 1 . PRO 22 22 11426 1 . ASN 23 23 11426 1 . VAL 24 24 11426 1 . GLU 25 25 11426 1 . VAL 26 26 11426 1 . GLU 27 27 11426 1 . THR 28 28 11426 1 . LEU 29 29 11426 1 . ARG 30 30 11426 1 . ARG 31 31 11426 1 . PHE 32 32 11426 1 . LEU 33 33 11426 1 . GLU 34 34 11426 1 . GLU 35 35 11426 1 . LYS 36 36 11426 1 . GLY 37 37 11426 1 . PHE 38 38 11426 1 . PRO 39 39 11426 1 . GLY 40 40 11426 1 . LYS 41 41 11426 1 . GLU 42 42 11426 1 . ALA 43 43 11426 1 . VAL 44 44 11426 1 . ILE 45 45 11426 1 . THR 46 46 11426 1 . GLN 47 47 11426 1 . VAL 48 48 11426 1 . GLN 49 49 11426 1 . ALA 50 50 11426 1 . PRO 51 51 11426 1 . THR 52 52 11426 1 . ALA 53 53 11426 1 . ALA 54 54 11426 1 . TYR 55 55 11426 1 . ARG 56 56 11426 1 . GLU 57 57 11426 1 . PHE 58 58 11426 1 . LEU 59 59 11426 1 . VAL 60 60 11426 1 . LYS 61 61 11426 1 . LEU 62 62 11426 1 . PRO 63 63 11426 1 . PRO 64 64 11426 1 . LEU 65 65 11426 1 . SER 66 66 11426 1 . ASP 67 67 11426 1 . GLU 68 68 11426 1 . ARG 69 69 11426 1 . ARG 70 70 11426 1 . LEU 71 71 11426 1 . GLU 72 72 11426 1 . LEU 73 73 11426 1 . GLU 74 74 11426 1 . ARG 75 75 11426 1 . LEU 76 76 11426 1 . PHE 77 77 11426 1 . ALA 78 78 11426 1 . SER 79 79 11426 1 . GLU 80 80 11426 1 . LEU 81 81 11426 1 . LYS 82 82 11426 1 . ALA 83 83 11426 1 . THR 84 84 11426 1 . VAL 85 85 11426 1 . LEU 86 86 11426 1 . ALA 87 87 11426 1 . SER 88 88 11426 1 . GLU 89 89 11426 1 . THR 90 90 11426 1 . VAL 91 91 11426 1 . GLY 92 92 11426 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 11426 _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 . 300852 organism . 'Thermus thermophilus' bacteria . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 11426 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 11426 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pYE79 . . . . . . 11426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11426 _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 'P4 domain' '[U-13C; U-15N]' . . 1 $entity . protein 1 . . mM . . . . 11426 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 11426 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11426 1 4 H2O . . . . . . solvent 90 . . % . . . . 11426 1 5 D2O . . . . . . solvent 10 . . % . . . . 11426 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 11426 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 11426 1 pH 6.5 . pH 11426 1 pressure 1 . atm 11426 1 temperature 303 . K 11426 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11426 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11426 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11426 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11426 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11426 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11426 _Software.ID 3 _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' . . 11426 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11426 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11426 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11426 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11426 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11426 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11426 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11426 5 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 11426 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11426 _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 . . . 11426 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 11426 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11426 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11426 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 11426 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11426 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11426 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11426 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 11426 _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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11426 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11426 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HB2 H 1 2.023 0.002 . 2 . . . A 468 MET HB2 . 11426 1 2 . 1 1 1 1 MET C C 13 177.258 0.000 . 1 . . . A 468 MET C . 11426 1 3 . 1 1 1 1 MET CA C 13 52.373 0.006 . 1 . . . A 468 MET CA . 11426 1 4 . 1 1 1 1 MET CB C 13 36.104 0.000 . 1 . . . A 468 MET CB . 11426 1 5 . 1 1 2 2 VAL H H 1 8.122 0.004 . 1 . . . A 469 VAL H . 11426 1 6 . 1 1 2 2 VAL HA H 1 4.065 0.007 . 1 . . . A 469 VAL HA . 11426 1 7 . 1 1 2 2 VAL HB H 1 2.036 0.006 . 1 . . . A 469 VAL HB . 11426 1 8 . 1 1 2 2 VAL HG11 H 1 0.938 0.010 . 1 . . . A 469 VAL HG11 . 11426 1 9 . 1 1 2 2 VAL HG12 H 1 0.938 0.010 . 1 . . . A 469 VAL HG12 . 11426 1 10 . 1 1 2 2 VAL HG13 H 1 0.938 0.010 . 1 . . . A 469 VAL HG13 . 11426 1 11 . 1 1 2 2 VAL HG21 H 1 0.900 0.010 . 1 . . . A 469 VAL HG21 . 11426 1 12 . 1 1 2 2 VAL HG22 H 1 0.900 0.010 . 1 . . . A 469 VAL HG22 . 11426 1 13 . 1 1 2 2 VAL HG23 H 1 0.900 0.010 . 1 . . . A 469 VAL HG23 . 11426 1 14 . 1 1 2 2 VAL C C 13 177.071 0.004 . 1 . . . A 469 VAL C . 11426 1 15 . 1 1 2 2 VAL CA C 13 62.634 0.076 . 1 . . . A 469 VAL CA . 11426 1 16 . 1 1 2 2 VAL CB C 13 32.607 0.082 . 1 . . . A 469 VAL CB . 11426 1 17 . 1 1 2 2 VAL CG1 C 13 20.452 0.060 . 1 . . . A 469 VAL CG1 . 11426 1 18 . 1 1 2 2 VAL CG2 C 13 20.216 0.006 . 1 . . . A 469 VAL CG2 . 11426 1 19 . 1 1 2 2 VAL N N 15 124.665 0.045 . 1 . . . A 469 VAL N . 11426 1 20 . 1 1 3 3 GLY H H 1 8.408 0.003 . 1 . . . A 470 GLY H . 11426 1 21 . 1 1 3 3 GLY HA2 H 1 3.862 0.005 . 2 . . . A 470 GLY HA2 . 11426 1 22 . 1 1 3 3 GLY C C 13 173.765 0.004 . 1 . . . A 470 GLY C . 11426 1 23 . 1 1 3 3 GLY CA C 13 45.112 0.036 . 1 . . . A 470 GLY CA . 11426 1 24 . 1 1 3 3 GLY N N 15 111.855 0.020 . 1 . . . A 470 GLY N . 11426 1 25 . 1 1 4 4 PHE H H 1 8.024 0.003 . 1 . . . A 471 PHE H . 11426 1 26 . 1 1 4 4 PHE HA H 1 4.523 0.005 . 1 . . . A 471 PHE HA . 11426 1 27 . 1 1 4 4 PHE HB2 H 1 2.890 0.009 . 2 . . . A 471 PHE HB2 . 11426 1 28 . 1 1 4 4 PHE HB3 H 1 2.940 0.006 . 2 . . . A 471 PHE HB3 . 11426 1 29 . 1 1 4 4 PHE HD1 H 1 7.119 0.000 . 1 . . . A 471 PHE HD1 . 11426 1 30 . 1 1 4 4 PHE HE1 H 1 7.117 0.000 . 1 . . . A 471 PHE HE1 . 11426 1 31 . 1 1 4 4 PHE C C 13 175.204 0.016 . 1 . . . A 471 PHE C . 11426 1 32 . 1 1 4 4 PHE CA C 13 57.770 0.076 . 1 . . . A 471 PHE CA . 11426 1 33 . 1 1 4 4 PHE CB C 13 39.723 0.095 . 1 . . . A 471 PHE CB . 11426 1 34 . 1 1 4 4 PHE N N 15 119.928 0.030 . 1 . . . A 471 PHE N . 11426 1 35 . 1 1 5 5 ASN H H 1 8.304 0.008 . 1 . . . A 472 ASN H . 11426 1 36 . 1 1 5 5 ASN HA H 1 4.636 0.007 . 1 . . . A 472 ASN HA . 11426 1 37 . 1 1 5 5 ASN HB2 H 1 2.605 0.006 . 2 . . . A 472 ASN HB2 . 11426 1 38 . 1 1 5 5 ASN HB3 H 1 2.708 0.007 . 2 . . . A 472 ASN HB3 . 11426 1 39 . 1 1 5 5 ASN C C 13 174.402 0.000 . 1 . . . A 472 ASN C . 11426 1 40 . 1 1 5 5 ASN CA C 13 52.979 0.087 . 1 . . . A 472 ASN CA . 11426 1 41 . 1 1 5 5 ASN CB C 13 38.840 0.093 . 1 . . . A 472 ASN CB . 11426 1 42 . 1 1 5 5 ASN N N 15 120.480 0.099 . 1 . . . A 472 ASN N . 11426 1 43 . 1 1 6 6 TYR H H 1 8.019 0.006 . 1 . . . A 473 TYR H . 11426 1 44 . 1 1 6 6 TYR HA H 1 4.524 0.006 . 1 . . . A 473 TYR HA . 11426 1 45 . 1 1 6 6 TYR HB2 H 1 2.918 0.010 . 2 . . . A 473 TYR HB2 . 11426 1 46 . 1 1 6 6 TYR HB3 H 1 3.074 0.008 . 2 . . . A 473 TYR HB3 . 11426 1 47 . 1 1 6 6 TYR HD1 H 1 7.096 0.000 . 1 . . . A 473 TYR HD1 . 11426 1 48 . 1 1 6 6 TYR HE1 H 1 6.787 0.000 . 1 . . . A 473 TYR HE1 . 11426 1 49 . 1 1 6 6 TYR C C 13 175.617 0.003 . 1 . . . A 473 TYR C . 11426 1 50 . 1 1 6 6 TYR CA C 13 58.080 0.063 . 1 . . . A 473 TYR CA . 11426 1 51 . 1 1 6 6 TYR CB C 13 38.821 0.040 . 1 . . . A 473 TYR CB . 11426 1 52 . 1 1 6 6 TYR N N 15 120.706 0.030 . 1 . . . A 473 TYR N . 11426 1 53 . 1 1 7 7 SER H H 1 8.205 0.004 . 1 . . . A 474 SER H . 11426 1 54 . 1 1 7 7 SER HA H 1 4.437 0.008 . 1 . . . A 474 SER HA . 11426 1 55 . 1 1 7 7 SER HB2 H 1 3.824 0.007 . 2 . . . A 474 SER HB2 . 11426 1 56 . 1 1 7 7 SER C C 13 174.157 0.006 . 1 . . . A 474 SER C . 11426 1 57 . 1 1 7 7 SER CA C 13 58.192 0.081 . 1 . . . A 474 SER CA . 11426 1 58 . 1 1 7 7 SER CB C 13 63.985 0.053 . 1 . . . A 474 SER CB . 11426 1 59 . 1 1 7 7 SER N N 15 116.970 0.044 . 1 . . . A 474 SER N . 11426 1 60 . 1 1 8 8 ILE H H 1 8.011 0.003 . 1 . . . A 475 ILE H . 11426 1 61 . 1 1 8 8 ILE HA H 1 4.111 0.006 . 1 . . . A 475 ILE HA . 11426 1 62 . 1 1 8 8 ILE HB H 1 1.759 0.004 . 1 . . . A 475 ILE HB . 11426 1 63 . 1 1 8 8 ILE HG12 H 1 1.088 0.008 . 2 . . . A 475 ILE HG12 . 11426 1 64 . 1 1 8 8 ILE HG13 H 1 1.341 0.005 . 2 . . . A 475 ILE HG13 . 11426 1 65 . 1 1 8 8 ILE HG21 H 1 0.669 0.008 . 1 . . . A 475 ILE HG21 . 11426 1 66 . 1 1 8 8 ILE HG22 H 1 0.669 0.008 . 1 . . . A 475 ILE HG22 . 11426 1 67 . 1 1 8 8 ILE HG23 H 1 0.669 0.008 . 1 . . . A 475 ILE HG23 . 11426 1 68 . 1 1 8 8 ILE HD11 H 1 0.785 0.010 . 1 . . . A 475 ILE HD11 . 11426 1 69 . 1 1 8 8 ILE HD12 H 1 0.785 0.010 . 1 . . . A 475 ILE HD12 . 11426 1 70 . 1 1 8 8 ILE HD13 H 1 0.785 0.010 . 1 . . . A 475 ILE HD13 . 11426 1 71 . 1 1 8 8 ILE C C 13 175.204 0.005 . 1 . . . A 475 ILE C . 11426 1 72 . 1 1 8 8 ILE CA C 13 61.199 0.094 . 1 . . . A 475 ILE CA . 11426 1 73 . 1 1 8 8 ILE CB C 13 39.014 0.044 . 1 . . . A 475 ILE CB . 11426 1 74 . 1 1 8 8 ILE CG1 C 13 27.310 0.076 . 1 . . . A 475 ILE CG1 . 11426 1 75 . 1 1 8 8 ILE CG2 C 13 17.400 0.026 . 1 . . . A 475 ILE CG2 . 11426 1 76 . 1 1 8 8 ILE CD1 C 13 13.238 0.026 . 1 . . . A 475 ILE CD1 . 11426 1 77 . 1 1 8 8 ILE N N 15 121.834 0.049 . 1 . . . A 475 ILE N . 11426 1 78 . 1 1 9 9 ASP H H 1 8.187 0.002 . 1 . . . A 476 ASP H . 11426 1 79 . 1 1 9 9 ASP HA H 1 4.618 0.006 . 1 . . . A 476 ASP HA . 11426 1 80 . 1 1 9 9 ASP HB2 H 1 2.543 0.008 . 2 . . . A 476 ASP HB2 . 11426 1 81 . 1 1 9 9 ASP HB3 H 1 2.673 0.006 . 2 . . . A 476 ASP HB3 . 11426 1 82 . 1 1 9 9 ASP C C 13 175.957 0.011 . 1 . . . A 476 ASP C . 11426 1 83 . 1 1 9 9 ASP CA C 13 53.936 0.089 . 1 . . . A 476 ASP CA . 11426 1 84 . 1 1 9 9 ASP CB C 13 41.391 0.092 . 1 . . . A 476 ASP CB . 11426 1 85 . 1 1 9 9 ASP N N 15 123.239 0.033 . 1 . . . A 476 ASP N . 11426 1 86 . 1 1 10 10 PHE H H 1 8.273 0.011 . 1 . . . A 477 PHE H . 11426 1 87 . 1 1 10 10 PHE HA H 1 4.552 0.009 . 1 . . . A 477 PHE HA . 11426 1 88 . 1 1 10 10 PHE HB2 H 1 2.999 0.010 . 2 . . . A 477 PHE HB2 . 11426 1 89 . 1 1 10 10 PHE HB3 H 1 3.219 0.008 . 2 . . . A 477 PHE HB3 . 11426 1 90 . 1 1 10 10 PHE HD2 H 1 7.281 0.000 . 1 . . . A 477 PHE HD2 . 11426 1 91 . 1 1 10 10 PHE HE2 H 1 7.281 0.000 . 1 . . . A 477 PHE HE2 . 11426 1 92 . 1 1 10 10 PHE C C 13 175.317 0.002 . 1 . . . A 477 PHE C . 11426 1 93 . 1 1 10 10 PHE CA C 13 58.238 0.057 . 1 . . . A 477 PHE CA . 11426 1 94 . 1 1 10 10 PHE CB C 13 39.628 0.080 . 1 . . . A 477 PHE CB . 11426 1 95 . 1 1 10 10 PHE N N 15 121.181 0.035 . 1 . . . A 477 PHE N . 11426 1 96 . 1 1 11 11 THR H H 1 8.222 0.006 . 1 . . . A 478 THR H . 11426 1 97 . 1 1 11 11 THR HA H 1 4.043 0.010 . 1 . . . A 478 THR HA . 11426 1 98 . 1 1 11 11 THR HB H 1 4.131 0.007 . 1 . . . A 478 THR HB . 11426 1 99 . 1 1 11 11 THR HG21 H 1 1.197 0.007 . 1 . . . A 478 THR HG21 . 11426 1 100 . 1 1 11 11 THR HG22 H 1 1.197 0.007 . 1 . . . A 478 THR HG22 . 11426 1 101 . 1 1 11 11 THR HG23 H 1 1.197 0.007 . 1 . . . A 478 THR HG23 . 11426 1 102 . 1 1 11 11 THR C C 13 175.272 0.007 . 1 . . . A 478 THR C . 11426 1 103 . 1 1 11 11 THR CA C 13 63.782 0.083 . 1 . . . A 478 THR CA . 11426 1 104 . 1 1 11 11 THR CB C 13 69.291 0.061 . 1 . . . A 478 THR CB . 11426 1 105 . 1 1 11 11 THR CG2 C 13 21.489 0.026 . 1 . . . A 478 THR CG2 . 11426 1 106 . 1 1 11 11 THR N N 15 116.535 0.040 . 1 . . . A 478 THR N . 11426 1 107 . 1 1 12 12 GLY H H 1 8.381 0.004 . 1 . . . A 479 GLY H . 11426 1 108 . 1 1 12 12 GLY HA2 H 1 3.820 0.007 . 2 . . . A 479 GLY HA2 . 11426 1 109 . 1 1 12 12 GLY HA3 H 1 4.111 0.009 . 2 . . . A 479 GLY HA3 . 11426 1 110 . 1 1 12 12 GLY C C 13 174.395 0.006 . 1 . . . A 479 GLY C . 11426 1 111 . 1 1 12 12 GLY CA C 13 45.387 0.049 . 1 . . . A 479 GLY CA . 11426 1 112 . 1 1 12 12 GLY N N 15 112.889 0.027 . 1 . . . A 479 GLY N . 11426 1 113 . 1 1 13 13 GLY H H 1 8.645 0.009 . 1 . . . A 480 GLY H . 11426 1 114 . 1 1 13 13 GLY HA2 H 1 3.863 0.006 . 2 . . . A 480 GLY HA2 . 11426 1 115 . 1 1 13 13 GLY HA3 H 1 4.412 0.006 . 2 . . . A 480 GLY HA3 . 11426 1 116 . 1 1 13 13 GLY C C 13 172.377 0.005 . 1 . . . A 480 GLY C . 11426 1 117 . 1 1 13 13 GLY CA C 13 44.714 0.072 . 1 . . . A 480 GLY CA . 11426 1 118 . 1 1 13 13 GLY N N 15 108.489 0.053 . 1 . . . A 480 GLY N . 11426 1 119 . 1 1 14 14 THR H H 1 8.262 0.003 . 1 . . . A 481 THR H . 11426 1 120 . 1 1 14 14 THR HA H 1 4.930 0.006 . 1 . . . A 481 THR HA . 11426 1 121 . 1 1 14 14 THR HB H 1 3.665 0.004 . 1 . . . A 481 THR HB . 11426 1 122 . 1 1 14 14 THR HG21 H 1 0.774 0.004 . 1 . . . A 481 THR HG21 . 11426 1 123 . 1 1 14 14 THR HG22 H 1 0.774 0.004 . 1 . . . A 481 THR HG22 . 11426 1 124 . 1 1 14 14 THR HG23 H 1 0.774 0.004 . 1 . . . A 481 THR HG23 . 11426 1 125 . 1 1 14 14 THR C C 13 171.861 0.007 . 1 . . . A 481 THR C . 11426 1 126 . 1 1 14 14 THR CA C 13 62.650 0.087 . 1 . . . A 481 THR CA . 11426 1 127 . 1 1 14 14 THR CB C 13 71.431 0.081 . 1 . . . A 481 THR CB . 11426 1 128 . 1 1 14 14 THR CG2 C 13 22.132 0.069 . 1 . . . A 481 THR CG2 . 11426 1 129 . 1 1 14 14 THR N N 15 117.720 0.041 . 1 . . . A 481 THR N . 11426 1 130 . 1 1 15 15 ALA H H 1 9.015 0.007 . 1 . . . A 482 ALA H . 11426 1 131 . 1 1 15 15 ALA HA H 1 5.541 0.006 . 1 . . . A 482 ALA HA . 11426 1 132 . 1 1 15 15 ALA HB1 H 1 1.174 0.007 . 1 . . . A 482 ALA HB1 . 11426 1 133 . 1 1 15 15 ALA HB2 H 1 1.174 0.007 . 1 . . . A 482 ALA HB2 . 11426 1 134 . 1 1 15 15 ALA HB3 H 1 1.174 0.007 . 1 . . . A 482 ALA HB3 . 11426 1 135 . 1 1 15 15 ALA C C 13 176.472 0.002 . 1 . . . A 482 ALA C . 11426 1 136 . 1 1 15 15 ALA CA C 13 49.911 0.042 . 1 . . . A 482 ALA CA . 11426 1 137 . 1 1 15 15 ALA CB C 13 21.555 0.044 . 1 . . . A 482 ALA CB . 11426 1 138 . 1 1 15 15 ALA N N 15 128.415 0.055 . 1 . . . A 482 ALA N . 11426 1 139 . 1 1 16 16 TYR H H 1 9.386 0.005 . 1 . . . A 483 TYR H . 11426 1 140 . 1 1 16 16 TYR HA H 1 5.097 0.004 . 1 . . . A 483 TYR HA . 11426 1 141 . 1 1 16 16 TYR HB2 H 1 2.668 0.005 . 1 . . . A 483 TYR HB2 . 11426 1 142 . 1 1 16 16 TYR HB3 H 1 2.705 0.004 . 1 . . . A 483 TYR HB3 . 11426 1 143 . 1 1 16 16 TYR HD2 H 1 7.040 0.000 . 1 . . . A 483 TYR HD2 . 11426 1 144 . 1 1 16 16 TYR HE2 H 1 6.676 0.000 . 1 . . . A 483 TYR HE2 . 11426 1 145 . 1 1 16 16 TYR C C 13 175.833 0.006 . 1 . . . A 483 TYR C . 11426 1 146 . 1 1 16 16 TYR CA C 13 57.400 0.045 . 1 . . . A 483 TYR CA . 11426 1 147 . 1 1 16 16 TYR CB C 13 42.632 0.028 . 1 . . . A 483 TYR CB . 11426 1 148 . 1 1 16 16 TYR N N 15 120.565 0.054 . 1 . . . A 483 TYR N . 11426 1 149 . 1 1 17 17 THR H H 1 8.620 0.004 . 1 . . . A 484 THR H . 11426 1 150 . 1 1 17 17 THR HA H 1 5.240 0.005 . 1 . . . A 484 THR HA . 11426 1 151 . 1 1 17 17 THR HB H 1 3.923 0.005 . 1 . . . A 484 THR HB . 11426 1 152 . 1 1 17 17 THR HG21 H 1 1.105 0.003 . 1 . . . A 484 THR HG21 . 11426 1 153 . 1 1 17 17 THR HG22 H 1 1.105 0.003 . 1 . . . A 484 THR HG22 . 11426 1 154 . 1 1 17 17 THR HG23 H 1 1.105 0.003 . 1 . . . A 484 THR HG23 . 11426 1 155 . 1 1 17 17 THR C C 13 173.963 0.005 . 1 . . . A 484 THR C . 11426 1 156 . 1 1 17 17 THR CA C 13 62.213 0.084 . 1 . . . A 484 THR CA . 11426 1 157 . 1 1 17 17 THR CB C 13 69.195 0.038 . 1 . . . A 484 THR CB . 11426 1 158 . 1 1 17 17 THR CG2 C 13 21.578 0.039 . 1 . . . A 484 THR CG2 . 11426 1 159 . 1 1 17 17 THR N N 15 118.225 0.043 . 1 . . . A 484 THR N . 11426 1 160 . 1 1 18 18 LEU H H 1 9.449 0.003 . 1 . . . A 485 LEU H . 11426 1 161 . 1 1 18 18 LEU HA H 1 5.273 0.003 . 1 . . . A 485 LEU HA . 11426 1 162 . 1 1 18 18 LEU HB2 H 1 1.134 0.006 . 1 . . . A 485 LEU HB2 . 11426 1 163 . 1 1 18 18 LEU HB3 H 1 1.366 0.008 . 1 . . . A 485 LEU HB3 . 11426 1 164 . 1 1 18 18 LEU HG H 1 1.218 0.006 . 1 . . . A 485 LEU HG . 11426 1 165 . 1 1 18 18 LEU HD11 H 1 -0.075 0.008 . 1 . . . A 485 LEU HD11 . 11426 1 166 . 1 1 18 18 LEU HD12 H 1 -0.075 0.008 . 1 . . . A 485 LEU HD12 . 11426 1 167 . 1 1 18 18 LEU HD13 H 1 -0.075 0.008 . 1 . . . A 485 LEU HD13 . 11426 1 168 . 1 1 18 18 LEU HD21 H 1 0.031 0.009 . 1 . . . A 485 LEU HD21 . 11426 1 169 . 1 1 18 18 LEU HD22 H 1 0.031 0.009 . 1 . . . A 485 LEU HD22 . 11426 1 170 . 1 1 18 18 LEU HD23 H 1 0.031 0.009 . 1 . . . A 485 LEU HD23 . 11426 1 171 . 1 1 18 18 LEU C C 13 175.180 0.001 . 1 . . . A 485 LEU C . 11426 1 172 . 1 1 18 18 LEU CA C 13 52.937 0.053 . 1 . . . A 485 LEU CA . 11426 1 173 . 1 1 18 18 LEU CB C 13 46.853 0.040 . 1 . . . A 485 LEU CB . 11426 1 174 . 1 1 18 18 LEU CG C 13 26.273 0.020 . 1 . . . A 485 LEU CG . 11426 1 175 . 1 1 18 18 LEU CD1 C 13 25.163 0.031 . 2 . . . A 485 LEU CD1 . 11426 1 176 . 1 1 18 18 LEU CD2 C 13 24.814 0.096 . 2 . . . A 485 LEU CD2 . 11426 1 177 . 1 1 18 18 LEU N N 15 126.373 0.026 . 1 . . . A 485 LEU N . 11426 1 178 . 1 1 19 19 ARG H H 1 8.997 0.003 . 1 . . . A 486 ARG H . 11426 1 179 . 1 1 19 19 ARG HA H 1 5.252 0.005 . 1 . . . A 486 ARG HA . 11426 1 180 . 1 1 19 19 ARG HB2 H 1 1.505 0.004 . 2 . . . A 486 ARG HB2 . 11426 1 181 . 1 1 19 19 ARG HG2 H 1 1.355 0.004 . 2 . . . A 486 ARG HG2 . 11426 1 182 . 1 1 19 19 ARG HD2 H 1 1.968 0.005 . 2 . . . A 486 ARG HD2 . 11426 1 183 . 1 1 19 19 ARG HD3 H 1 2.443 0.003 . 2 . . . A 486 ARG HD3 . 11426 1 184 . 1 1 19 19 ARG HE H 1 7.115 0.001 . 1 . . . A 486 ARG HE . 11426 1 185 . 1 1 19 19 ARG C C 13 174.307 0.005 . 1 . . . A 486 ARG C . 11426 1 186 . 1 1 19 19 ARG CA C 13 55.171 0.064 . 1 . . . A 486 ARG CA . 11426 1 187 . 1 1 19 19 ARG CB C 13 32.961 0.058 . 1 . . . A 486 ARG CB . 11426 1 188 . 1 1 19 19 ARG CG C 13 27.772 0.036 . 1 . . . A 486 ARG CG . 11426 1 189 . 1 1 19 19 ARG CD C 13 43.224 0.020 . 1 . . . A 486 ARG CD . 11426 1 190 . 1 1 19 19 ARG N N 15 121.944 0.032 . 1 . . . A 486 ARG N . 11426 1 191 . 1 1 19 19 ARG NE N 15 116.579 0.002 . 1 . . . A 486 ARG NE . 11426 1 192 . 1 1 20 20 ALA H H 1 9.441 0.003 . 1 . . . A 487 ALA H . 11426 1 193 . 1 1 20 20 ALA HA H 1 5.008 0.003 . 1 . . . A 487 ALA HA . 11426 1 194 . 1 1 20 20 ALA HB1 H 1 1.407 0.009 . 1 . . . A 487 ALA HB1 . 11426 1 195 . 1 1 20 20 ALA HB2 H 1 1.407 0.009 . 1 . . . A 487 ALA HB2 . 11426 1 196 . 1 1 20 20 ALA HB3 H 1 1.407 0.009 . 1 . . . A 487 ALA HB3 . 11426 1 197 . 1 1 20 20 ALA C C 13 175.461 0.073 . 1 . . . A 487 ALA C . 11426 1 198 . 1 1 20 20 ALA CA C 13 50.028 0.097 . 1 . . . A 487 ALA CA . 11426 1 199 . 1 1 20 20 ALA CB C 13 22.787 0.027 . 1 . . . A 487 ALA CB . 11426 1 200 . 1 1 20 20 ALA N N 15 128.476 0.037 . 1 . . . A 487 ALA N . 11426 1 201 . 1 1 21 21 GLU H H 1 8.559 0.002 . 1 . . . A 488 GLU H . 11426 1 202 . 1 1 21 21 GLU HA H 1 4.541 0.008 . 1 . . . A 488 GLU HA . 11426 1 203 . 1 1 21 21 GLU HB2 H 1 2.296 0.009 . 2 . . . A 488 GLU HB2 . 11426 1 204 . 1 1 21 21 GLU HB3 H 1 2.078 0.005 . 2 . . . A 488 GLU HB3 . 11426 1 205 . 1 1 21 21 GLU HG2 H 1 2.467 0.004 . 2 . . . A 488 GLU HG2 . 11426 1 206 . 1 1 21 21 GLU HG3 H 1 2.585 0.004 . 2 . . . A 488 GLU HG3 . 11426 1 207 . 1 1 21 21 GLU C C 13 176.281 0.000 . 1 . . . A 488 GLU C . 11426 1 208 . 1 1 21 21 GLU CA C 13 55.765 0.049 . 1 . . . A 488 GLU CA . 11426 1 209 . 1 1 21 21 GLU CB C 13 29.014 0.080 . 1 . . . A 488 GLU CB . 11426 1 210 . 1 1 21 21 GLU CG C 13 36.944 0.054 . 1 . . . A 488 GLU CG . 11426 1 211 . 1 1 21 21 GLU N N 15 119.155 0.036 . 1 . . . A 488 GLU N . 11426 1 212 . 1 1 22 22 PRO HA H 1 4.145 0.007 . 1 . . . A 489 PRO HA . 11426 1 213 . 1 1 22 22 PRO HB3 H 1 2.047 0.008 . 2 . . . A 489 PRO HB3 . 11426 1 214 . 1 1 22 22 PRO HG2 H 1 1.802 0.005 . 2 . . . A 489 PRO HG2 . 11426 1 215 . 1 1 22 22 PRO HD2 H 1 3.823 0.008 . 2 . . . A 489 PRO HD2 . 11426 1 216 . 1 1 22 22 PRO C C 13 175.386 0.000 . 1 . . . A 489 PRO C . 11426 1 217 . 1 1 22 22 PRO CA C 13 64.855 0.096 . 1 . . . A 489 PRO CA . 11426 1 218 . 1 1 22 22 PRO CB C 13 31.633 0.075 . 1 . . . A 489 PRO CB . 11426 1 219 . 1 1 22 22 PRO CG C 13 27.796 0.048 . 1 . . . A 489 PRO CG . 11426 1 220 . 1 1 22 22 PRO CD C 13 50.627 0.043 . 1 . . . A 489 PRO CD . 11426 1 221 . 1 1 23 23 ASN H H 1 7.758 0.002 . 1 . . . A 490 ASN H . 11426 1 222 . 1 1 23 23 ASN HA H 1 4.668 0.005 . 1 . . . A 490 ASN HA . 11426 1 223 . 1 1 23 23 ASN HB2 H 1 2.723 0.007 . 2 . . . A 490 ASN HB2 . 11426 1 224 . 1 1 23 23 ASN HB3 H 1 3.016 0.006 . 2 . . . A 490 ASN HB3 . 11426 1 225 . 1 1 23 23 ASN HD21 H 1 6.808 0.002 . 2 . . . A 490 ASN HD21 . 11426 1 226 . 1 1 23 23 ASN HD22 H 1 7.621 0.000 . 2 . . . A 490 ASN HD22 . 11426 1 227 . 1 1 23 23 ASN C C 13 175.458 0.011 . 1 . . . A 490 ASN C . 11426 1 228 . 1 1 23 23 ASN CA C 13 53.091 0.079 . 1 . . . A 490 ASN CA . 11426 1 229 . 1 1 23 23 ASN CB C 13 37.596 0.065 . 1 . . . A 490 ASN CB . 11426 1 230 . 1 1 23 23 ASN N N 15 112.734 0.030 . 1 . . . A 490 ASN N . 11426 1 231 . 1 1 23 23 ASN ND2 N 15 112.379 0.006 . 1 . . . A 490 ASN ND2 . 11426 1 232 . 1 1 24 24 VAL H H 1 7.865 0.002 . 1 . . . A 491 VAL H . 11426 1 233 . 1 1 24 24 VAL HA H 1 3.682 0.004 . 1 . . . A 491 VAL HA . 11426 1 234 . 1 1 24 24 VAL HB H 1 2.200 0.006 . 1 . . . A 491 VAL HB . 11426 1 235 . 1 1 24 24 VAL HG11 H 1 0.510 0.008 . 1 . . . A 491 VAL HG11 . 11426 1 236 . 1 1 24 24 VAL HG12 H 1 0.510 0.008 . 1 . . . A 491 VAL HG12 . 11426 1 237 . 1 1 24 24 VAL HG13 H 1 0.510 0.008 . 1 . . . A 491 VAL HG13 . 11426 1 238 . 1 1 24 24 VAL HG21 H 1 0.983 0.010 . 1 . . . A 491 VAL HG21 . 11426 1 239 . 1 1 24 24 VAL HG22 H 1 0.983 0.010 . 1 . . . A 491 VAL HG22 . 11426 1 240 . 1 1 24 24 VAL HG23 H 1 0.983 0.010 . 1 . . . A 491 VAL HG23 . 11426 1 241 . 1 1 24 24 VAL C C 13 174.050 0.004 . 1 . . . A 491 VAL C . 11426 1 242 . 1 1 24 24 VAL CA C 13 64.552 0.075 . 1 . . . A 491 VAL CA . 11426 1 243 . 1 1 24 24 VAL CB C 13 31.507 0.062 . 1 . . . A 491 VAL CB . 11426 1 244 . 1 1 24 24 VAL CG1 C 13 21.637 0.079 . 1 . . . A 491 VAL CG1 . 11426 1 245 . 1 1 24 24 VAL CG2 C 13 22.997 0.018 . 1 . . . A 491 VAL CG2 . 11426 1 246 . 1 1 24 24 VAL N N 15 123.954 0.027 . 1 . . . A 491 VAL N . 11426 1 247 . 1 1 25 25 GLU H H 1 7.653 0.003 . 1 . . . A 492 GLU H . 11426 1 248 . 1 1 25 25 GLU HA H 1 4.967 0.003 . 1 . . . A 492 GLU HA . 11426 1 249 . 1 1 25 25 GLU HB2 H 1 1.912 0.007 . 1 . . . A 492 GLU HB2 . 11426 1 250 . 1 1 25 25 GLU HB3 H 1 2.510 0.004 . 1 . . . A 492 GLU HB3 . 11426 1 251 . 1 1 25 25 GLU HG2 H 1 2.378 0.004 . 1 . . . A 492 GLU HG2 . 11426 1 252 . 1 1 25 25 GLU HG3 H 1 2.312 0.009 . 1 . . . A 492 GLU HG3 . 11426 1 253 . 1 1 25 25 GLU C C 13 177.312 0.001 . 1 . . . A 492 GLU C . 11426 1 254 . 1 1 25 25 GLU CA C 13 53.689 0.057 . 1 . . . A 492 GLU CA . 11426 1 255 . 1 1 25 25 GLU CB C 13 32.579 0.032 . 1 . . . A 492 GLU CB . 11426 1 256 . 1 1 25 25 GLU CG C 13 35.495 0.092 . 1 . . . A 492 GLU CG . 11426 1 257 . 1 1 25 25 GLU N N 15 123.090 0.046 . 1 . . . A 492 GLU N . 11426 1 258 . 1 1 26 26 VAL H H 1 9.184 0.002 . 1 . . . A 493 VAL H . 11426 1 259 . 1 1 26 26 VAL HA H 1 3.239 0.004 . 1 . . . A 493 VAL HA . 11426 1 260 . 1 1 26 26 VAL HB H 1 2.189 0.004 . 1 . . . A 493 VAL HB . 11426 1 261 . 1 1 26 26 VAL HG11 H 1 0.979 0.011 . 1 . . . A 493 VAL HG11 . 11426 1 262 . 1 1 26 26 VAL HG12 H 1 0.979 0.011 . 1 . . . A 493 VAL HG12 . 11426 1 263 . 1 1 26 26 VAL HG13 H 1 0.979 0.011 . 1 . . . A 493 VAL HG13 . 11426 1 264 . 1 1 26 26 VAL HG21 H 1 1.270 0.009 . 1 . . . A 493 VAL HG21 . 11426 1 265 . 1 1 26 26 VAL HG22 H 1 1.270 0.009 . 1 . . . A 493 VAL HG22 . 11426 1 266 . 1 1 26 26 VAL HG23 H 1 1.270 0.009 . 1 . . . A 493 VAL HG23 . 11426 1 267 . 1 1 26 26 VAL C C 13 178.627 0.003 . 1 . . . A 493 VAL C . 11426 1 268 . 1 1 26 26 VAL CA C 13 68.186 0.037 . 1 . . . A 493 VAL CA . 11426 1 269 . 1 1 26 26 VAL CB C 13 31.631 0.085 . 1 . . . A 493 VAL CB . 11426 1 270 . 1 1 26 26 VAL CG1 C 13 21.224 0.084 . 1 . . . A 493 VAL CG1 . 11426 1 271 . 1 1 26 26 VAL CG2 C 13 23.118 0.032 . 1 . . . A 493 VAL CG2 . 11426 1 272 . 1 1 26 26 VAL N N 15 122.164 0.019 . 1 . . . A 493 VAL N . 11426 1 273 . 1 1 27 27 GLU H H 1 8.839 0.002 . 1 . . . A 494 GLU H . 11426 1 274 . 1 1 27 27 GLU HA H 1 4.055 0.007 . 1 . . . A 494 GLU HA . 11426 1 275 . 1 1 27 27 GLU HB2 H 1 2.054 0.010 . 2 . . . A 494 GLU HB2 . 11426 1 276 . 1 1 27 27 GLU HG2 H 1 2.355 0.006 . 2 . . . A 494 GLU HG2 . 11426 1 277 . 1 1 27 27 GLU CA C 13 59.524 0.059 . 1 . . . A 494 GLU CA . 11426 1 278 . 1 1 27 27 GLU CB C 13 28.977 0.045 . 1 . . . A 494 GLU CB . 11426 1 279 . 1 1 27 27 GLU CG C 13 36.496 0.085 . 1 . . . A 494 GLU CG . 11426 1 280 . 1 1 27 27 GLU CD C 13 178.390 0.007 . 1 . . . A 494 GLU CD . 11426 1 281 . 1 1 27 27 GLU N N 15 115.753 0.027 . 1 . . . A 494 GLU N . 11426 1 282 . 1 1 28 28 THR H H 1 7.194 0.002 . 1 . . . A 495 THR H . 11426 1 283 . 1 1 28 28 THR HA H 1 3.907 0.003 . 1 . . . A 495 THR HA . 11426 1 284 . 1 1 28 28 THR HB H 1 4.361 0.005 . 1 . . . A 495 THR HB . 11426 1 285 . 1 1 28 28 THR HG21 H 1 1.300 0.008 . 1 . . . A 495 THR HG21 . 11426 1 286 . 1 1 28 28 THR HG22 H 1 1.300 0.008 . 1 . . . A 495 THR HG22 . 11426 1 287 . 1 1 28 28 THR HG23 H 1 1.300 0.008 . 1 . . . A 495 THR HG23 . 11426 1 288 . 1 1 28 28 THR C C 13 177.545 0.002 . 1 . . . A 495 THR C . 11426 1 289 . 1 1 28 28 THR CA C 13 65.813 0.061 . 1 . . . A 495 THR CA . 11426 1 290 . 1 1 28 28 THR CB C 13 68.299 0.096 . 1 . . . A 495 THR CB . 11426 1 291 . 1 1 28 28 THR CG2 C 13 22.232 0.061 . 1 . . . A 495 THR CG2 . 11426 1 292 . 1 1 28 28 THR N N 15 115.776 0.021 . 1 . . . A 495 THR N . 11426 1 293 . 1 1 29 29 LEU H H 1 7.427 0.002 . 1 . . . A 496 LEU H . 11426 1 294 . 1 1 29 29 LEU HA H 1 3.838 0.007 . 1 . . . A 496 LEU HA . 11426 1 295 . 1 1 29 29 LEU HB2 H 1 1.129 0.011 . 1 . . . A 496 LEU HB2 . 11426 1 296 . 1 1 29 29 LEU HB3 H 1 1.676 0.003 . 1 . . . A 496 LEU HB3 . 11426 1 297 . 1 1 29 29 LEU HG H 1 1.089 0.010 . 1 . . . A 496 LEU HG . 11426 1 298 . 1 1 29 29 LEU HD11 H 1 -0.111 0.009 . 1 . . . A 496 LEU HD11 . 11426 1 299 . 1 1 29 29 LEU HD12 H 1 -0.111 0.009 . 1 . . . A 496 LEU HD12 . 11426 1 300 . 1 1 29 29 LEU HD13 H 1 -0.111 0.009 . 1 . . . A 496 LEU HD13 . 11426 1 301 . 1 1 29 29 LEU HD21 H 1 0.235 0.009 . 1 . . . A 496 LEU HD21 . 11426 1 302 . 1 1 29 29 LEU HD22 H 1 0.235 0.009 . 1 . . . A 496 LEU HD22 . 11426 1 303 . 1 1 29 29 LEU HD23 H 1 0.235 0.009 . 1 . . . A 496 LEU HD23 . 11426 1 304 . 1 1 29 29 LEU C C 13 178.031 0.003 . 1 . . . A 496 LEU C . 11426 1 305 . 1 1 29 29 LEU CA C 13 58.195 0.078 . 1 . . . A 496 LEU CA . 11426 1 306 . 1 1 29 29 LEU CB C 13 42.293 0.057 . 1 . . . A 496 LEU CB . 11426 1 307 . 1 1 29 29 LEU CG C 13 27.230 0.048 . 1 . . . A 496 LEU CG . 11426 1 308 . 1 1 29 29 LEU CD1 C 13 24.612 0.074 . 2 . . . A 496 LEU CD1 . 11426 1 309 . 1 1 29 29 LEU CD2 C 13 24.189 0.074 . 2 . . . A 496 LEU CD2 . 11426 1 310 . 1 1 29 29 LEU N N 15 121.956 0.020 . 1 . . . A 496 LEU N . 11426 1 311 . 1 1 30 30 ARG H H 1 8.256 0.002 . 1 . . . A 497 ARG H . 11426 1 312 . 1 1 30 30 ARG HA H 1 3.640 0.004 . 1 . . . A 497 ARG HA . 11426 1 313 . 1 1 30 30 ARG HB2 H 1 1.713 0.008 . 1 . . . A 497 ARG HB2 . 11426 1 314 . 1 1 30 30 ARG HB3 H 1 1.798 0.010 . 1 . . . A 497 ARG HB3 . 11426 1 315 . 1 1 30 30 ARG HG2 H 1 1.693 0.005 . 1 . . . A 497 ARG HG2 . 11426 1 316 . 1 1 30 30 ARG HG3 H 1 1.586 0.006 . 1 . . . A 497 ARG HG3 . 11426 1 317 . 1 1 30 30 ARG HD2 H 1 3.207 0.004 . 2 . . . A 497 ARG HD2 . 11426 1 318 . 1 1 30 30 ARG HE H 1 7.697 0.000 . 1 . . . A 497 ARG HE . 11426 1 319 . 1 1 30 30 ARG C C 13 178.232 0.003 . 1 . . . A 497 ARG C . 11426 1 320 . 1 1 30 30 ARG CA C 13 61.496 0.048 . 1 . . . A 497 ARG CA . 11426 1 321 . 1 1 30 30 ARG CB C 13 29.691 0.074 . 1 . . . A 497 ARG CB . 11426 1 322 . 1 1 30 30 ARG CG C 13 27.715 0.084 . 1 . . . A 497 ARG CG . 11426 1 323 . 1 1 30 30 ARG CD C 13 43.123 0.012 . 1 . . . A 497 ARG CD . 11426 1 324 . 1 1 30 30 ARG N N 15 119.198 0.025 . 1 . . . A 497 ARG N . 11426 1 325 . 1 1 30 30 ARG NE N 15 114.206 0.006 . 1 . . . A 497 ARG NE . 11426 1 326 . 1 1 31 31 ARG H H 1 8.130 0.002 . 1 . . . A 498 ARG H . 11426 1 327 . 1 1 31 31 ARG HA H 1 4.070 0.006 . 1 . . . A 498 ARG HA . 11426 1 328 . 1 1 31 31 ARG HB2 H 1 1.946 0.005 . 2 . . . A 498 ARG HB2 . 11426 1 329 . 1 1 31 31 ARG HG2 H 1 1.675 0.007 . 2 . . . A 498 ARG HG2 . 11426 1 330 . 1 1 31 31 ARG HG3 H 1 1.820 0.010 . 2 . . . A 498 ARG HG3 . 11426 1 331 . 1 1 31 31 ARG HD2 H 1 3.251 0.004 . 2 . . . A 498 ARG HD2 . 11426 1 332 . 1 1 31 31 ARG HE H 1 7.513 0.002 . 1 . . . A 498 ARG HE . 11426 1 333 . 1 1 31 31 ARG C C 13 178.061 0.014 . 1 . . . A 498 ARG C . 11426 1 334 . 1 1 31 31 ARG CA C 13 59.359 0.049 . 1 . . . A 498 ARG CA . 11426 1 335 . 1 1 31 31 ARG CB C 13 30.069 0.051 . 1 . . . A 498 ARG CB . 11426 1 336 . 1 1 31 31 ARG CG C 13 27.505 0.068 . 1 . . . A 498 ARG CG . 11426 1 337 . 1 1 31 31 ARG CD C 13 43.518 0.065 . 1 . . . A 498 ARG CD . 11426 1 338 . 1 1 31 31 ARG N N 15 117.794 0.036 . 1 . . . A 498 ARG N . 11426 1 339 . 1 1 31 31 ARG NE N 15 116.575 0.005 . 1 . . . A 498 ARG NE . 11426 1 340 . 1 1 32 32 PHE H H 1 7.975 0.001 . 1 . . . A 499 PHE H . 11426 1 341 . 1 1 32 32 PHE HA H 1 4.299 0.005 . 1 . . . A 499 PHE HA . 11426 1 342 . 1 1 32 32 PHE HB2 H 1 3.202 0.006 . 2 . . . A 499 PHE HB2 . 11426 1 343 . 1 1 32 32 PHE HB3 H 1 3.301 0.005 . 2 . . . A 499 PHE HB3 . 11426 1 344 . 1 1 32 32 PHE HD1 H 1 7.156 0.000 . 1 . . . A 499 PHE HD1 . 11426 1 345 . 1 1 32 32 PHE HE1 H 1 7.165 0.000 . 1 . . . A 499 PHE HE1 . 11426 1 346 . 1 1 32 32 PHE C C 13 176.318 0.004 . 1 . . . A 499 PHE C . 11426 1 347 . 1 1 32 32 PHE CA C 13 61.237 0.054 . 1 . . . A 499 PHE CA . 11426 1 348 . 1 1 32 32 PHE CB C 13 39.344 0.065 . 1 . . . A 499 PHE CB . 11426 1 349 . 1 1 32 32 PHE N N 15 120.403 0.024 . 1 . . . A 499 PHE N . 11426 1 350 . 1 1 33 33 LEU H H 1 8.100 0.003 . 1 . . . A 500 LEU H . 11426 1 351 . 1 1 33 33 LEU HA H 1 3.602 0.003 . 1 . . . A 500 LEU HA . 11426 1 352 . 1 1 33 33 LEU HB2 H 1 2.169 0.007 . 1 . . . A 500 LEU HB2 . 11426 1 353 . 1 1 33 33 LEU HB3 H 1 1.036 0.004 . 1 . . . A 500 LEU HB3 . 11426 1 354 . 1 1 33 33 LEU HG H 1 2.069 0.008 . 1 . . . A 500 LEU HG . 11426 1 355 . 1 1 33 33 LEU HD11 H 1 0.829 0.010 . 1 . . . A 500 LEU HD11 . 11426 1 356 . 1 1 33 33 LEU HD12 H 1 0.829 0.010 . 1 . . . A 500 LEU HD12 . 11426 1 357 . 1 1 33 33 LEU HD13 H 1 0.829 0.010 . 1 . . . A 500 LEU HD13 . 11426 1 358 . 1 1 33 33 LEU HD21 H 1 0.671 0.010 . 1 . . . A 500 LEU HD21 . 11426 1 359 . 1 1 33 33 LEU HD22 H 1 0.671 0.010 . 1 . . . A 500 LEU HD22 . 11426 1 360 . 1 1 33 33 LEU HD23 H 1 0.671 0.010 . 1 . . . A 500 LEU HD23 . 11426 1 361 . 1 1 33 33 LEU C C 13 178.800 0.004 . 1 . . . A 500 LEU C . 11426 1 362 . 1 1 33 33 LEU CA C 13 58.432 0.054 . 1 . . . A 500 LEU CA . 11426 1 363 . 1 1 33 33 LEU CB C 13 41.766 0.071 . 1 . . . A 500 LEU CB . 11426 1 364 . 1 1 33 33 LEU CG C 13 27.423 0.028 . 1 . . . A 500 LEU CG . 11426 1 365 . 1 1 33 33 LEU CD1 C 13 26.455 0.099 . 2 . . . A 500 LEU CD1 . 11426 1 366 . 1 1 33 33 LEU CD2 C 13 24.509 0.078 . 2 . . . A 500 LEU CD2 . 11426 1 367 . 1 1 33 33 LEU N N 15 116.561 0.036 . 1 . . . A 500 LEU N . 11426 1 368 . 1 1 34 34 GLU H H 1 8.076 0.003 . 1 . . . A 501 GLU H . 11426 1 369 . 1 1 34 34 GLU HA H 1 4.346 0.005 . 1 . . . A 501 GLU HA . 11426 1 370 . 1 1 34 34 GLU HB2 H 1 2.197 0.004 . 2 . . . A 501 GLU HB2 . 11426 1 371 . 1 1 34 34 GLU HG2 H 1 2.261 0.007 . 2 . . . A 501 GLU HG2 . 11426 1 372 . 1 1 34 34 GLU HG3 H 1 2.449 0.005 . 2 . . . A 501 GLU HG3 . 11426 1 373 . 1 1 34 34 GLU C C 13 181.132 0.002 . 1 . . . A 501 GLU C . 11426 1 374 . 1 1 34 34 GLU CA C 13 59.672 0.055 . 1 . . . A 501 GLU CA . 11426 1 375 . 1 1 34 34 GLU CB C 13 30.294 0.055 . 1 . . . A 501 GLU CB . 11426 1 376 . 1 1 34 34 GLU CG C 13 36.878 0.048 . 1 . . . A 501 GLU CG . 11426 1 377 . 1 1 34 34 GLU N N 15 117.687 0.032 . 1 . . . A 501 GLU N . 11426 1 378 . 1 1 35 35 GLU H H 1 8.790 0.002 . 1 . . . A 502 GLU H . 11426 1 379 . 1 1 35 35 GLU HA H 1 4.001 0.006 . 1 . . . A 502 GLU HA . 11426 1 380 . 1 1 35 35 GLU HB2 H 1 2.015 0.004 . 2 . . . A 502 GLU HB2 . 11426 1 381 . 1 1 35 35 GLU HB3 H 1 2.184 0.003 . 2 . . . A 502 GLU HB3 . 11426 1 382 . 1 1 35 35 GLU HG2 H 1 2.272 0.004 . 2 . . . A 502 GLU HG2 . 11426 1 383 . 1 1 35 35 GLU HG3 H 1 2.457 0.007 . 2 . . . A 502 GLU HG3 . 11426 1 384 . 1 1 35 35 GLU C C 13 178.463 0.001 . 1 . . . A 502 GLU C . 11426 1 385 . 1 1 35 35 GLU CA C 13 59.251 0.057 . 1 . . . A 502 GLU CA . 11426 1 386 . 1 1 35 35 GLU CB C 13 29.308 0.047 . 1 . . . A 502 GLU CB . 11426 1 387 . 1 1 35 35 GLU CG C 13 36.844 0.055 . 1 . . . A 502 GLU CG . 11426 1 388 . 1 1 35 35 GLU N N 15 121.032 0.035 . 1 . . . A 502 GLU N . 11426 1 389 . 1 1 36 36 LYS H H 1 7.492 0.002 . 1 . . . A 503 LYS H . 11426 1 390 . 1 1 36 36 LYS HA H 1 4.284 0.009 . 1 . . . A 503 LYS HA . 11426 1 391 . 1 1 36 36 LYS HB2 H 1 1.649 0.007 . 2 . . . A 503 LYS HB2 . 11426 1 392 . 1 1 36 36 LYS HB3 H 1 2.021 0.007 . 2 . . . A 503 LYS HB3 . 11426 1 393 . 1 1 36 36 LYS HG2 H 1 0.572 0.003 . 2 . . . A 503 LYS HG2 . 11426 1 394 . 1 1 36 36 LYS HG3 H 1 1.034 0.007 . 2 . . . A 503 LYS HG3 . 11426 1 395 . 1 1 36 36 LYS HD2 H 1 1.353 0.005 . 2 . . . A 503 LYS HD2 . 11426 1 396 . 1 1 36 36 LYS HE2 H 1 2.546 0.002 . 2 . . . A 503 LYS HE2 . 11426 1 397 . 1 1 36 36 LYS HE3 H 1 2.629 0.004 . 2 . . . A 503 LYS HE3 . 11426 1 398 . 1 1 36 36 LYS C C 13 176.085 0.004 . 1 . . . A 503 LYS C . 11426 1 399 . 1 1 36 36 LYS CA C 13 53.772 0.081 . 1 . . . A 503 LYS CA . 11426 1 400 . 1 1 36 36 LYS CB C 13 31.260 0.064 . 1 . . . A 503 LYS CB . 11426 1 401 . 1 1 36 36 LYS CG C 13 23.569 0.064 . 1 . . . A 503 LYS CG . 11426 1 402 . 1 1 36 36 LYS CD C 13 27.268 0.090 . 1 . . . A 503 LYS CD . 11426 1 403 . 1 1 36 36 LYS CE C 13 42.842 0.073 . 1 . . . A 503 LYS CE . 11426 1 404 . 1 1 36 36 LYS N N 15 114.801 0.021 . 1 . . . A 503 LYS N . 11426 1 405 . 1 1 37 37 GLY H H 1 7.783 0.003 . 1 . . . A 504 GLY H . 11426 1 406 . 1 1 37 37 GLY HA2 H 1 3.742 0.009 . 2 . . . A 504 GLY HA2 . 11426 1 407 . 1 1 37 37 GLY HA3 H 1 3.869 0.010 . 2 . . . A 504 GLY HA3 . 11426 1 408 . 1 1 37 37 GLY C C 13 174.233 0.009 . 1 . . . A 504 GLY C . 11426 1 409 . 1 1 37 37 GLY CA C 13 46.058 0.079 . 1 . . . A 504 GLY CA . 11426 1 410 . 1 1 37 37 GLY N N 15 106.768 0.032 . 1 . . . A 504 GLY N . 11426 1 411 . 1 1 38 38 PHE H H 1 8.524 0.001 . 1 . . . A 505 PHE H . 11426 1 412 . 1 1 38 38 PHE HA H 1 4.636 0.007 . 1 . . . A 505 PHE HA . 11426 1 413 . 1 1 38 38 PHE HB2 H 1 2.682 0.010 . 2 . . . A 505 PHE HB2 . 11426 1 414 . 1 1 38 38 PHE HD1 H 1 6.939 0.000 . 1 . . . A 505 PHE HD1 . 11426 1 415 . 1 1 38 38 PHE HE1 H 1 6.943 0.000 . 1 . . . A 505 PHE HE1 . 11426 1 416 . 1 1 38 38 PHE C C 13 174.567 0.000 . 1 . . . A 505 PHE C . 11426 1 417 . 1 1 38 38 PHE CA C 13 56.687 0.022 . 1 . . . A 505 PHE CA . 11426 1 418 . 1 1 38 38 PHE CB C 13 39.947 0.035 . 1 . . . A 505 PHE CB . 11426 1 419 . 1 1 38 38 PHE N N 15 120.048 0.030 . 1 . . . A 505 PHE N . 11426 1 420 . 1 1 39 39 PRO HA H 1 4.877 0.002 . 1 . . . A 506 PRO HA . 11426 1 421 . 1 1 39 39 PRO HB2 H 1 2.352 0.006 . 1 . . . A 506 PRO HB2 . 11426 1 422 . 1 1 39 39 PRO HB3 H 1 2.082 0.007 . 1 . . . A 506 PRO HB3 . 11426 1 423 . 1 1 39 39 PRO HG2 H 1 1.969 0.002 . 1 . . . A 506 PRO HG2 . 11426 1 424 . 1 1 39 39 PRO HG3 H 1 2.095 0.003 . 1 . . . A 506 PRO HG3 . 11426 1 425 . 1 1 39 39 PRO HD2 H 1 3.539 0.005 . 1 . . . A 506 PRO HD2 . 11426 1 426 . 1 1 39 39 PRO HD3 H 1 3.902 0.007 . 1 . . . A 506 PRO HD3 . 11426 1 427 . 1 1 39 39 PRO C C 13 175.569 0.000 . 1 . . . A 506 PRO C . 11426 1 428 . 1 1 39 39 PRO CA C 13 62.687 0.085 . 1 . . . A 506 PRO CA . 11426 1 429 . 1 1 39 39 PRO CB C 13 28.472 0.095 . 1 . . . A 506 PRO CB . 11426 1 430 . 1 1 39 39 PRO CG C 13 27.932 0.089 . 1 . . . A 506 PRO CG . 11426 1 431 . 1 1 39 39 PRO CD C 13 51.045 0.052 . 1 . . . A 506 PRO CD . 11426 1 432 . 1 1 40 40 GLY H H 1 8.623 0.003 . 1 . . . A 507 GLY H . 11426 1 433 . 1 1 40 40 GLY HA2 H 1 3.837 0.009 . 1 . . . A 507 GLY HA2 . 11426 1 434 . 1 1 40 40 GLY HA3 H 1 3.934 0.007 . 1 . . . A 507 GLY HA3 . 11426 1 435 . 1 1 40 40 GLY C C 13 175.760 0.004 . 1 . . . A 507 GLY C . 11426 1 436 . 1 1 40 40 GLY CA C 13 48.453 0.077 . 1 . . . A 507 GLY CA . 11426 1 437 . 1 1 40 40 GLY N N 15 111.588 0.028 . 1 . . . A 507 GLY N . 11426 1 438 . 1 1 41 41 LYS H H 1 9.070 0.002 . 1 . . . A 508 LYS H . 11426 1 439 . 1 1 41 41 LYS HA H 1 4.059 0.003 . 1 . . . A 508 LYS HA . 11426 1 440 . 1 1 41 41 LYS HB2 H 1 1.808 0.009 . 2 . . . A 508 LYS HB2 . 11426 1 441 . 1 1 41 41 LYS HB3 H 1 1.856 0.009 . 2 . . . A 508 LYS HB3 . 11426 1 442 . 1 1 41 41 LYS HG2 H 1 1.408 0.006 . 2 . . . A 508 LYS HG2 . 11426 1 443 . 1 1 41 41 LYS HG3 H 1 1.475 0.010 . 2 . . . A 508 LYS HG3 . 11426 1 444 . 1 1 41 41 LYS HD2 H 1 1.677 0.004 . 2 . . . A 508 LYS HD2 . 11426 1 445 . 1 1 41 41 LYS HE2 H 1 2.990 0.002 . 2 . . . A 508 LYS HE2 . 11426 1 446 . 1 1 41 41 LYS C C 13 177.738 0.004 . 1 . . . A 508 LYS C . 11426 1 447 . 1 1 41 41 LYS CA C 13 59.552 0.090 . 1 . . . A 508 LYS CA . 11426 1 448 . 1 1 41 41 LYS CB C 13 32.006 0.043 . 1 . . . A 508 LYS CB . 11426 1 449 . 1 1 41 41 LYS CG C 13 25.221 0.053 . 1 . . . A 508 LYS CG . 11426 1 450 . 1 1 41 41 LYS CD C 13 29.316 0.078 . 1 . . . A 508 LYS CD . 11426 1 451 . 1 1 41 41 LYS CE C 13 42.026 0.067 . 1 . . . A 508 LYS CE . 11426 1 452 . 1 1 41 41 LYS N N 15 121.654 0.023 . 1 . . . A 508 LYS N . 11426 1 453 . 1 1 42 42 GLU H H 1 8.148 0.003 . 1 . . . A 509 GLU H . 11426 1 454 . 1 1 42 42 GLU HA H 1 4.244 0.006 . 1 . . . A 509 GLU HA . 11426 1 455 . 1 1 42 42 GLU HB2 H 1 1.936 0.010 . 2 . . . A 509 GLU HB2 . 11426 1 456 . 1 1 42 42 GLU HB3 H 1 2.160 0.008 . 2 . . . A 509 GLU HB3 . 11426 1 457 . 1 1 42 42 GLU HG2 H 1 2.187 0.009 . 2 . . . A 509 GLU HG2 . 11426 1 458 . 1 1 42 42 GLU HG3 H 1 2.348 0.004 . 2 . . . A 509 GLU HG3 . 11426 1 459 . 1 1 42 42 GLU C C 13 176.155 0.003 . 1 . . . A 509 GLU C . 11426 1 460 . 1 1 42 42 GLU CA C 13 57.183 0.073 . 1 . . . A 509 GLU CA . 11426 1 461 . 1 1 42 42 GLU CB C 13 30.129 0.042 . 1 . . . A 509 GLU CB . 11426 1 462 . 1 1 42 42 GLU CG C 13 36.992 0.043 . 1 . . . A 509 GLU CG . 11426 1 463 . 1 1 42 42 GLU N N 15 115.978 0.023 . 1 . . . A 509 GLU N . 11426 1 464 . 1 1 43 43 ALA H H 1 7.277 0.002 . 1 . . . A 510 ALA H . 11426 1 465 . 1 1 43 43 ALA HA H 1 4.660 0.007 . 1 . . . A 510 ALA HA . 11426 1 466 . 1 1 43 43 ALA HB1 H 1 1.372 0.008 . 1 . . . A 510 ALA HB1 . 11426 1 467 . 1 1 43 43 ALA HB2 H 1 1.372 0.008 . 1 . . . A 510 ALA HB2 . 11426 1 468 . 1 1 43 43 ALA HB3 H 1 1.372 0.008 . 1 . . . A 510 ALA HB3 . 11426 1 469 . 1 1 43 43 ALA C C 13 177.426 0.002 . 1 . . . A 510 ALA C . 11426 1 470 . 1 1 43 43 ALA CA C 13 52.498 0.042 . 1 . . . A 510 ALA CA . 11426 1 471 . 1 1 43 43 ALA CB C 13 19.345 0.073 . 1 . . . A 510 ALA CB . 11426 1 472 . 1 1 43 43 ALA N N 15 120.095 0.028 . 1 . . . A 510 ALA N . 11426 1 473 . 1 1 44 44 VAL H H 1 8.767 0.003 . 1 . . . A 511 VAL H . 11426 1 474 . 1 1 44 44 VAL HA H 1 4.366 0.005 . 1 . . . A 511 VAL HA . 11426 1 475 . 1 1 44 44 VAL HB H 1 1.945 0.008 . 1 . . . A 511 VAL HB . 11426 1 476 . 1 1 44 44 VAL HG11 H 1 0.934 0.010 . 1 . . . A 511 VAL HG11 . 11426 1 477 . 1 1 44 44 VAL HG12 H 1 0.934 0.010 . 1 . . . A 511 VAL HG12 . 11426 1 478 . 1 1 44 44 VAL HG13 H 1 0.934 0.010 . 1 . . . A 511 VAL HG13 . 11426 1 479 . 1 1 44 44 VAL HG21 H 1 0.973 0.001 . 1 . . . A 511 VAL HG21 . 11426 1 480 . 1 1 44 44 VAL HG22 H 1 0.973 0.001 . 1 . . . A 511 VAL HG22 . 11426 1 481 . 1 1 44 44 VAL HG23 H 1 0.973 0.001 . 1 . . . A 511 VAL HG23 . 11426 1 482 . 1 1 44 44 VAL C C 13 175.899 0.003 . 1 . . . A 511 VAL C . 11426 1 483 . 1 1 44 44 VAL CA C 13 62.511 0.071 . 1 . . . A 511 VAL CA . 11426 1 484 . 1 1 44 44 VAL CB C 13 32.618 0.062 . 1 . . . A 511 VAL CB . 11426 1 485 . 1 1 44 44 VAL CG1 C 13 20.911 0.046 . 1 . . . A 511 VAL CG1 . 11426 1 486 . 1 1 44 44 VAL N N 15 124.949 0.023 . 1 . . . A 511 VAL N . 11426 1 487 . 1 1 45 45 ILE H H 1 8.671 0.003 . 1 . . . A 512 ILE H . 11426 1 488 . 1 1 45 45 ILE HA H 1 5.286 0.003 . 1 . . . A 512 ILE HA . 11426 1 489 . 1 1 45 45 ILE HB H 1 1.726 0.008 . 1 . . . A 512 ILE HB . 11426 1 490 . 1 1 45 45 ILE HG12 H 1 0.916 0.010 . 2 . . . A 512 ILE HG12 . 11426 1 491 . 1 1 45 45 ILE HG13 H 1 1.564 0.005 . 2 . . . A 512 ILE HG13 . 11426 1 492 . 1 1 45 45 ILE HG21 H 1 0.896 0.009 . 1 . . . A 512 ILE HG21 . 11426 1 493 . 1 1 45 45 ILE HG22 H 1 0.896 0.009 . 1 . . . A 512 ILE HG22 . 11426 1 494 . 1 1 45 45 ILE HG23 H 1 0.896 0.009 . 1 . . . A 512 ILE HG23 . 11426 1 495 . 1 1 45 45 ILE HD11 H 1 0.751 0.009 . 1 . . . A 512 ILE HD11 . 11426 1 496 . 1 1 45 45 ILE HD12 H 1 0.751 0.009 . 1 . . . A 512 ILE HD12 . 11426 1 497 . 1 1 45 45 ILE HD13 H 1 0.751 0.009 . 1 . . . A 512 ILE HD13 . 11426 1 498 . 1 1 45 45 ILE C C 13 174.820 0.002 . 1 . . . A 512 ILE C . 11426 1 499 . 1 1 45 45 ILE CA C 13 60.318 0.061 . 1 . . . A 512 ILE CA . 11426 1 500 . 1 1 45 45 ILE CB C 13 40.531 0.048 . 1 . . . A 512 ILE CB . 11426 1 501 . 1 1 45 45 ILE CG1 C 13 27.588 0.088 . 1 . . . A 512 ILE CG1 . 11426 1 502 . 1 1 45 45 ILE CG2 C 13 19.139 0.070 . 1 . . . A 512 ILE CG2 . 11426 1 503 . 1 1 45 45 ILE CD1 C 13 13.845 0.032 . 1 . . . A 512 ILE CD1 . 11426 1 504 . 1 1 45 45 ILE N N 15 128.844 0.022 . 1 . . . A 512 ILE N . 11426 1 505 . 1 1 46 46 THR H H 1 9.134 0.003 . 1 . . . A 513 THR H . 11426 1 506 . 1 1 46 46 THR HA H 1 4.714 0.006 . 1 . . . A 513 THR HA . 11426 1 507 . 1 1 46 46 THR HB H 1 4.061 0.009 . 1 . . . A 513 THR HB . 11426 1 508 . 1 1 46 46 THR HG21 H 1 1.194 0.005 . 1 . . . A 513 THR HG21 . 11426 1 509 . 1 1 46 46 THR HG22 H 1 1.194 0.005 . 1 . . . A 513 THR HG22 . 11426 1 510 . 1 1 46 46 THR HG23 H 1 1.194 0.005 . 1 . . . A 513 THR HG23 . 11426 1 511 . 1 1 46 46 THR C C 13 173.121 0.001 . 1 . . . A 513 THR C . 11426 1 512 . 1 1 46 46 THR CA C 13 60.381 0.093 . 1 . . . A 513 THR CA . 11426 1 513 . 1 1 46 46 THR CB C 13 71.726 0.034 . 1 . . . A 513 THR CB . 11426 1 514 . 1 1 46 46 THR CG2 C 13 21.939 0.065 . 1 . . . A 513 THR CG2 . 11426 1 515 . 1 1 46 46 THR N N 15 121.213 0.015 . 1 . . . A 513 THR N . 11426 1 516 . 1 1 47 47 GLN H H 1 9.105 0.003 . 1 . . . A 514 GLN H . 11426 1 517 . 1 1 47 47 GLN HA H 1 4.580 0.008 . 1 . . . A 514 GLN HA . 11426 1 518 . 1 1 47 47 GLN HB2 H 1 1.863 0.009 . 2 . . . A 514 GLN HB2 . 11426 1 519 . 1 1 47 47 GLN HB3 H 1 1.973 0.005 . 2 . . . A 514 GLN HB3 . 11426 1 520 . 1 1 47 47 GLN HG2 H 1 1.851 0.009 . 2 . . . A 514 GLN HG2 . 11426 1 521 . 1 1 47 47 GLN HG3 H 1 2.063 0.006 . 2 . . . A 514 GLN HG3 . 11426 1 522 . 1 1 47 47 GLN HE21 H 1 6.763 0.001 . 2 . . . A 514 GLN HE21 . 11426 1 523 . 1 1 47 47 GLN HE22 H 1 7.443 0.002 . 2 . . . A 514 GLN HE22 . 11426 1 524 . 1 1 47 47 GLN C C 13 175.624 0.002 . 1 . . . A 514 GLN C . 11426 1 525 . 1 1 47 47 GLN CA C 13 55.702 0.064 . 1 . . . A 514 GLN CA . 11426 1 526 . 1 1 47 47 GLN CB C 13 29.875 0.067 . 1 . . . A 514 GLN CB . 11426 1 527 . 1 1 47 47 GLN CG C 13 33.918 0.084 . 1 . . . A 514 GLN CG . 11426 1 528 . 1 1 47 47 GLN N N 15 125.968 0.030 . 1 . . . A 514 GLN N . 11426 1 529 . 1 1 47 47 GLN NE2 N 15 109.910 0.007 . 1 . . . A 514 GLN NE2 . 11426 1 530 . 1 1 48 48 VAL H H 1 8.454 0.003 . 1 . . . A 515 VAL H . 11426 1 531 . 1 1 48 48 VAL HA H 1 4.125 0.004 . 1 . . . A 515 VAL HA . 11426 1 532 . 1 1 48 48 VAL HB H 1 1.903 0.003 . 1 . . . A 515 VAL HB . 11426 1 533 . 1 1 48 48 VAL HG11 H 1 0.841 0.009 . 1 . . . A 515 VAL HG11 . 11426 1 534 . 1 1 48 48 VAL HG12 H 1 0.841 0.009 . 1 . . . A 515 VAL HG12 . 11426 1 535 . 1 1 48 48 VAL HG13 H 1 0.841 0.009 . 1 . . . A 515 VAL HG13 . 11426 1 536 . 1 1 48 48 VAL HG21 H 1 0.763 0.010 . 1 . . . A 515 VAL HG21 . 11426 1 537 . 1 1 48 48 VAL HG22 H 1 0.763 0.010 . 1 . . . A 515 VAL HG22 . 11426 1 538 . 1 1 48 48 VAL HG23 H 1 0.763 0.010 . 1 . . . A 515 VAL HG23 . 11426 1 539 . 1 1 48 48 VAL C C 13 175.645 0.006 . 1 . . . A 515 VAL C . 11426 1 540 . 1 1 48 48 VAL CA C 13 61.620 0.090 . 1 . . . A 515 VAL CA . 11426 1 541 . 1 1 48 48 VAL CB C 13 33.250 0.031 . 1 . . . A 515 VAL CB . 11426 1 542 . 1 1 48 48 VAL CG1 C 13 20.998 0.079 . 1 . . . A 515 VAL CG1 . 11426 1 543 . 1 1 48 48 VAL CG2 C 13 20.288 0.046 . 1 . . . A 515 VAL CG2 . 11426 1 544 . 1 1 48 48 VAL N N 15 126.324 0.036 . 1 . . . A 515 VAL N . 11426 1 545 . 1 1 49 49 GLN H H 1 8.479 0.004 . 1 . . . A 516 GLN H . 11426 1 546 . 1 1 49 49 GLN HA H 1 4.206 0.005 . 1 . . . A 516 GLN HA . 11426 1 547 . 1 1 49 49 GLN HB2 H 1 1.958 0.010 . 2 . . . A 516 GLN HB2 . 11426 1 548 . 1 1 49 49 GLN HB3 H 1 2.016 0.010 . 2 . . . A 516 GLN HB3 . 11426 1 549 . 1 1 49 49 GLN HG2 H 1 2.349 0.004 . 2 . . . A 516 GLN HG2 . 11426 1 550 . 1 1 49 49 GLN HE21 H 1 6.843 0.001 . 2 . . . A 516 GLN HE21 . 11426 1 551 . 1 1 49 49 GLN HE22 H 1 7.534 0.006 . 2 . . . A 516 GLN HE22 . 11426 1 552 . 1 1 49 49 GLN C C 13 174.813 0.002 . 1 . . . A 516 GLN C . 11426 1 553 . 1 1 49 49 GLN CA C 13 56.314 0.075 . 1 . . . A 516 GLN CA . 11426 1 554 . 1 1 49 49 GLN CB C 13 28.521 0.055 . 1 . . . A 516 GLN CB . 11426 1 555 . 1 1 49 49 GLN CG C 13 33.486 0.036 . 1 . . . A 516 GLN CG . 11426 1 556 . 1 1 49 49 GLN N N 15 124.662 0.016 . 1 . . . A 516 GLN N . 11426 1 557 . 1 1 49 49 GLN NE2 N 15 112.617 0.024 . 1 . . . A 516 GLN NE2 . 11426 1 558 . 1 1 50 50 ALA H H 1 8.364 0.002 . 1 . . . A 517 ALA H . 11426 1 559 . 1 1 50 50 ALA HA H 1 4.692 0.004 . 1 . . . A 517 ALA HA . 11426 1 560 . 1 1 50 50 ALA HB1 H 1 1.341 0.008 . 1 . . . A 517 ALA HB1 . 11426 1 561 . 1 1 50 50 ALA HB2 H 1 1.341 0.008 . 1 . . . A 517 ALA HB2 . 11426 1 562 . 1 1 50 50 ALA HB3 H 1 1.341 0.008 . 1 . . . A 517 ALA HB3 . 11426 1 563 . 1 1 50 50 ALA C C 13 176.411 0.000 . 1 . . . A 517 ALA C . 11426 1 564 . 1 1 50 50 ALA CA C 13 50.106 0.025 . 1 . . . A 517 ALA CA . 11426 1 565 . 1 1 50 50 ALA CB C 13 19.283 0.082 . 1 . . . A 517 ALA CB . 11426 1 566 . 1 1 50 50 ALA N N 15 128.387 0.023 . 1 . . . A 517 ALA N . 11426 1 567 . 1 1 51 51 PRO HA H 1 4.491 0.003 . 1 . . . A 518 PRO HA . 11426 1 568 . 1 1 51 51 PRO HB2 H 1 2.208 0.006 . 2 . . . A 518 PRO HB2 . 11426 1 569 . 1 1 51 51 PRO HB3 H 1 2.066 0.006 . 2 . . . A 518 PRO HB3 . 11426 1 570 . 1 1 51 51 PRO HG2 H 1 1.973 0.008 . 1 . . . A 518 PRO HG2 . 11426 1 571 . 1 1 51 51 PRO HG3 H 1 2.057 0.005 . 1 . . . A 518 PRO HG3 . 11426 1 572 . 1 1 51 51 PRO HD2 H 1 3.699 0.005 . 2 . . . A 518 PRO HD2 . 11426 1 573 . 1 1 51 51 PRO C C 13 176.239 0.006 . 1 . . . A 518 PRO C . 11426 1 574 . 1 1 51 51 PRO CA C 13 63.965 0.035 . 1 . . . A 518 PRO CA . 11426 1 575 . 1 1 51 51 PRO CB C 13 31.440 0.060 . 1 . . . A 518 PRO CB . 11426 1 576 . 1 1 51 51 PRO CG C 13 27.233 0.059 . 1 . . . A 518 PRO CG . 11426 1 577 . 1 1 51 51 PRO CD C 13 50.492 0.054 . 1 . . . A 518 PRO CD . 11426 1 578 . 1 1 52 52 THR H H 1 7.491 0.002 . 1 . . . A 519 THR H . 11426 1 579 . 1 1 52 52 THR HA H 1 4.460 0.004 . 1 . . . A 519 THR HA . 11426 1 580 . 1 1 52 52 THR HB H 1 4.237 0.009 . 1 . . . A 519 THR HB . 11426 1 581 . 1 1 52 52 THR HG21 H 1 0.884 0.005 . 1 . . . A 519 THR HG21 . 11426 1 582 . 1 1 52 52 THR HG22 H 1 0.884 0.005 . 1 . . . A 519 THR HG22 . 11426 1 583 . 1 1 52 52 THR HG23 H 1 0.884 0.005 . 1 . . . A 519 THR HG23 . 11426 1 584 . 1 1 52 52 THR C C 13 172.826 0.003 . 1 . . . A 519 THR C . 11426 1 585 . 1 1 52 52 THR CA C 13 59.842 0.070 . 1 . . . A 519 THR CA . 11426 1 586 . 1 1 52 52 THR CB C 13 69.685 0.047 . 1 . . . A 519 THR CB . 11426 1 587 . 1 1 52 52 THR CG2 C 13 20.742 0.034 . 1 . . . A 519 THR CG2 . 11426 1 588 . 1 1 52 52 THR N N 15 110.768 0.035 . 1 . . . A 519 THR N . 11426 1 589 . 1 1 53 53 ALA H H 1 8.102 0.003 . 1 . . . A 520 ALA H . 11426 1 590 . 1 1 53 53 ALA HA H 1 4.336 0.006 . 1 . . . A 520 ALA HA . 11426 1 591 . 1 1 53 53 ALA HB1 H 1 1.265 0.010 . 1 . . . A 520 ALA HB1 . 11426 1 592 . 1 1 53 53 ALA HB2 H 1 1.265 0.010 . 1 . . . A 520 ALA HB2 . 11426 1 593 . 1 1 53 53 ALA HB3 H 1 1.265 0.010 . 1 . . . A 520 ALA HB3 . 11426 1 594 . 1 1 53 53 ALA C C 13 177.860 0.005 . 1 . . . A 520 ALA C . 11426 1 595 . 1 1 53 53 ALA CA C 13 52.263 0.065 . 1 . . . A 520 ALA CA . 11426 1 596 . 1 1 53 53 ALA CB C 13 19.125 0.064 . 1 . . . A 520 ALA CB . 11426 1 597 . 1 1 53 53 ALA N N 15 124.420 0.020 . 1 . . . A 520 ALA N . 11426 1 598 . 1 1 54 54 ALA H H 1 8.132 0.004 . 1 . . . A 521 ALA H . 11426 1 599 . 1 1 54 54 ALA HA H 1 4.137 0.005 . 1 . . . A 521 ALA HA . 11426 1 600 . 1 1 54 54 ALA HB1 H 1 1.330 0.007 . 1 . . . A 521 ALA HB1 . 11426 1 601 . 1 1 54 54 ALA HB2 H 1 1.330 0.007 . 1 . . . A 521 ALA HB2 . 11426 1 602 . 1 1 54 54 ALA HB3 H 1 1.330 0.007 . 1 . . . A 521 ALA HB3 . 11426 1 603 . 1 1 54 54 ALA C C 13 176.223 0.005 . 1 . . . A 521 ALA C . 11426 1 604 . 1 1 54 54 ALA CA C 13 53.384 0.094 . 1 . . . A 521 ALA CA . 11426 1 605 . 1 1 54 54 ALA CB C 13 19.514 0.059 . 1 . . . A 521 ALA CB . 11426 1 606 . 1 1 54 54 ALA N N 15 120.888 0.021 . 1 . . . A 521 ALA N . 11426 1 607 . 1 1 55 55 TYR H H 1 6.946 0.001 . 1 . . . A 522 TYR H . 11426 1 608 . 1 1 55 55 TYR HA H 1 4.743 0.008 . 1 . . . A 522 TYR HA . 11426 1 609 . 1 1 55 55 TYR HB2 H 1 3.050 0.004 . 2 . . . A 522 TYR HB2 . 11426 1 610 . 1 1 55 55 TYR HD1 H 1 6.754 0.000 . 1 . . . A 522 TYR HD1 . 11426 1 611 . 1 1 55 55 TYR HE1 H 1 6.727 0.000 . 1 . . . A 522 TYR HE1 . 11426 1 612 . 1 1 55 55 TYR C C 13 173.661 0.002 . 1 . . . A 522 TYR C . 11426 1 613 . 1 1 55 55 TYR CA C 13 55.628 0.084 . 1 . . . A 522 TYR CA . 11426 1 614 . 1 1 55 55 TYR CB C 13 40.214 0.048 . 1 . . . A 522 TYR CB . 11426 1 615 . 1 1 55 55 TYR N N 15 110.588 0.022 . 1 . . . A 522 TYR N . 11426 1 616 . 1 1 56 56 ARG H H 1 8.928 0.002 . 1 . . . A 523 ARG H . 11426 1 617 . 1 1 56 56 ARG HA H 1 4.487 0.005 . 1 . . . A 523 ARG HA . 11426 1 618 . 1 1 56 56 ARG HB2 H 1 1.308 0.005 . 2 . . . A 523 ARG HB2 . 11426 1 619 . 1 1 56 56 ARG HB3 H 1 1.437 0.008 . 2 . . . A 523 ARG HB3 . 11426 1 620 . 1 1 56 56 ARG HG2 H 1 1.427 0.005 . 2 . . . A 523 ARG HG2 . 11426 1 621 . 1 1 56 56 ARG HG3 H 1 1.565 0.006 . 2 . . . A 523 ARG HG3 . 11426 1 622 . 1 1 56 56 ARG HD2 H 1 3.072 0.003 . 2 . . . A 523 ARG HD2 . 11426 1 623 . 1 1 56 56 ARG HD3 H 1 3.287 0.005 . 2 . . . A 523 ARG HD3 . 11426 1 624 . 1 1 56 56 ARG HE H 1 7.155 0.001 . 1 . . . A 523 ARG HE . 11426 1 625 . 1 1 56 56 ARG C C 13 174.079 0.006 . 1 . . . A 523 ARG C . 11426 1 626 . 1 1 56 56 ARG CA C 13 54.993 0.059 . 1 . . . A 523 ARG CA . 11426 1 627 . 1 1 56 56 ARG CB C 13 34.651 0.073 . 1 . . . A 523 ARG CB . 11426 1 628 . 1 1 56 56 ARG CG C 13 28.126 0.095 . 1 . . . A 523 ARG CG . 11426 1 629 . 1 1 56 56 ARG CD C 13 44.014 0.046 . 1 . . . A 523 ARG CD . 11426 1 630 . 1 1 56 56 ARG N N 15 118.218 0.016 . 1 . . . A 523 ARG N . 11426 1 631 . 1 1 56 56 ARG NE N 15 117.207 0.002 . 1 . . . A 523 ARG NE . 11426 1 632 . 1 1 57 57 GLU H H 1 8.629 0.003 . 1 . . . A 524 GLU H . 11426 1 633 . 1 1 57 57 GLU HA H 1 5.503 0.003 . 1 . . . A 524 GLU HA . 11426 1 634 . 1 1 57 57 GLU HB2 H 1 1.826 0.003 . 2 . . . A 524 GLU HB2 . 11426 1 635 . 1 1 57 57 GLU HG2 H 1 1.975 0.005 . 2 . . . A 524 GLU HG2 . 11426 1 636 . 1 1 57 57 GLU HG3 H 1 2.130 0.006 . 2 . . . A 524 GLU HG3 . 11426 1 637 . 1 1 57 57 GLU C C 13 174.550 0.002 . 1 . . . A 524 GLU C . 11426 1 638 . 1 1 57 57 GLU CA C 13 54.544 0.082 . 1 . . . A 524 GLU CA . 11426 1 639 . 1 1 57 57 GLU CB C 13 33.712 0.075 . 1 . . . A 524 GLU CB . 11426 1 640 . 1 1 57 57 GLU CG C 13 37.415 0.063 . 1 . . . A 524 GLU CG . 11426 1 641 . 1 1 57 57 GLU N N 15 123.232 0.030 . 1 . . . A 524 GLU N . 11426 1 642 . 1 1 58 58 PHE H H 1 9.027 0.005 . 1 . . . A 525 PHE H . 11426 1 643 . 1 1 58 58 PHE HA H 1 5.391 0.006 . 1 . . . A 525 PHE HA . 11426 1 644 . 1 1 58 58 PHE HB2 H 1 2.275 0.006 . 1 . . . A 525 PHE HB2 . 11426 1 645 . 1 1 58 58 PHE HB3 H 1 2.700 0.007 . 1 . . . A 525 PHE HB3 . 11426 1 646 . 1 1 58 58 PHE HD2 H 1 6.710 0.000 . 1 . . . A 525 PHE HD2 . 11426 1 647 . 1 1 58 58 PHE HE2 H 1 6.716 0.000 . 1 . . . A 525 PHE HE2 . 11426 1 648 . 1 1 58 58 PHE C C 13 173.900 0.005 . 1 . . . A 525 PHE C . 11426 1 649 . 1 1 58 58 PHE CA C 13 56.268 0.049 . 1 . . . A 525 PHE CA . 11426 1 650 . 1 1 58 58 PHE CB C 13 44.281 0.071 . 1 . . . A 525 PHE CB . 11426 1 651 . 1 1 58 58 PHE N N 15 119.582 0.042 . 1 . . . A 525 PHE N . 11426 1 652 . 1 1 59 59 LEU H H 1 9.084 0.005 . 1 . . . A 526 LEU H . 11426 1 653 . 1 1 59 59 LEU HA H 1 5.319 0.006 . 1 . . . A 526 LEU HA . 11426 1 654 . 1 1 59 59 LEU HB2 H 1 1.478 0.008 . 1 . . . A 526 LEU HB2 . 11426 1 655 . 1 1 59 59 LEU HB3 H 1 1.733 0.006 . 1 . . . A 526 LEU HB3 . 11426 1 656 . 1 1 59 59 LEU HG H 1 1.467 0.005 . 1 . . . A 526 LEU HG . 11426 1 657 . 1 1 59 59 LEU HD11 H 1 0.790 0.008 . 1 . . . A 526 LEU HD11 . 11426 1 658 . 1 1 59 59 LEU HD12 H 1 0.790 0.008 . 1 . . . A 526 LEU HD12 . 11426 1 659 . 1 1 59 59 LEU HD13 H 1 0.790 0.008 . 1 . . . A 526 LEU HD13 . 11426 1 660 . 1 1 59 59 LEU HD21 H 1 0.809 0.010 . 1 . . . A 526 LEU HD21 . 11426 1 661 . 1 1 59 59 LEU HD22 H 1 0.809 0.010 . 1 . . . A 526 LEU HD22 . 11426 1 662 . 1 1 59 59 LEU HD23 H 1 0.809 0.010 . 1 . . . A 526 LEU HD23 . 11426 1 663 . 1 1 59 59 LEU C C 13 176.148 0.006 . 1 . . . A 526 LEU C . 11426 1 664 . 1 1 59 59 LEU CA C 13 53.906 0.080 . 1 . . . A 526 LEU CA . 11426 1 665 . 1 1 59 59 LEU CB C 13 43.281 0.093 . 1 . . . A 526 LEU CB . 11426 1 666 . 1 1 59 59 LEU CG C 13 27.507 0.069 . 1 . . . A 526 LEU CG . 11426 1 667 . 1 1 59 59 LEU CD1 C 13 23.870 0.092 . 2 . . . A 526 LEU CD1 . 11426 1 668 . 1 1 59 59 LEU CD2 C 13 25.083 0.058 . 2 . . . A 526 LEU CD2 . 11426 1 669 . 1 1 59 59 LEU N N 15 123.751 0.042 . 1 . . . A 526 LEU N . 11426 1 670 . 1 1 60 60 VAL H H 1 9.318 0.003 . 1 . . . A 527 VAL H . 11426 1 671 . 1 1 60 60 VAL HA H 1 4.740 0.005 . 1 . . . A 527 VAL HA . 11426 1 672 . 1 1 60 60 VAL HB H 1 2.147 0.005 . 1 . . . A 527 VAL HB . 11426 1 673 . 1 1 60 60 VAL HG11 H 1 0.897 0.010 . 1 . . . A 527 VAL HG11 . 11426 1 674 . 1 1 60 60 VAL HG12 H 1 0.897 0.010 . 1 . . . A 527 VAL HG12 . 11426 1 675 . 1 1 60 60 VAL HG13 H 1 0.897 0.010 . 1 . . . A 527 VAL HG13 . 11426 1 676 . 1 1 60 60 VAL HG21 H 1 0.794 0.009 . 1 . . . A 527 VAL HG21 . 11426 1 677 . 1 1 60 60 VAL HG22 H 1 0.794 0.009 . 1 . . . A 527 VAL HG22 . 11426 1 678 . 1 1 60 60 VAL HG23 H 1 0.794 0.009 . 1 . . . A 527 VAL HG23 . 11426 1 679 . 1 1 60 60 VAL C C 13 174.119 0.007 . 1 . . . A 527 VAL C . 11426 1 680 . 1 1 60 60 VAL CA C 13 61.051 0.066 . 1 . . . A 527 VAL CA . 11426 1 681 . 1 1 60 60 VAL CB C 13 34.817 0.071 . 1 . . . A 527 VAL CB . 11426 1 682 . 1 1 60 60 VAL CG1 C 13 20.944 0.095 . 1 . . . A 527 VAL CG1 . 11426 1 683 . 1 1 60 60 VAL CG2 C 13 21.516 0.081 . 1 . . . A 527 VAL CG2 . 11426 1 684 . 1 1 60 60 VAL N N 15 125.617 0.028 . 1 . . . A 527 VAL N . 11426 1 685 . 1 1 61 61 LYS H H 1 9.344 0.004 . 1 . . . A 528 LYS H . 11426 1 686 . 1 1 61 61 LYS HA H 1 5.235 0.003 . 1 . . . A 528 LYS HA . 11426 1 687 . 1 1 61 61 LYS HB2 H 1 1.790 0.006 . 1 . . . A 528 LYS HB2 . 11426 1 688 . 1 1 61 61 LYS HB3 H 1 1.642 0.007 . 1 . . . A 528 LYS HB3 . 11426 1 689 . 1 1 61 61 LYS HG2 H 1 1.158 0.005 . 2 . . . A 528 LYS HG2 . 11426 1 690 . 1 1 61 61 LYS HG3 H 1 1.314 0.005 . 2 . . . A 528 LYS HG3 . 11426 1 691 . 1 1 61 61 LYS HD2 H 1 1.494 0.003 . 2 . . . A 528 LYS HD2 . 11426 1 692 . 1 1 61 61 LYS HE2 H 1 2.541 0.004 . 2 . . . A 528 LYS HE2 . 11426 1 693 . 1 1 61 61 LYS HE3 H 1 2.676 0.004 . 2 . . . A 528 LYS HE3 . 11426 1 694 . 1 1 61 61 LYS C C 13 174.852 0.002 . 1 . . . A 528 LYS C . 11426 1 695 . 1 1 61 61 LYS CA C 13 55.677 0.086 . 1 . . . A 528 LYS CA . 11426 1 696 . 1 1 61 61 LYS CB C 13 34.214 0.049 . 1 . . . A 528 LYS CB . 11426 1 697 . 1 1 61 61 LYS CG C 13 25.154 0.030 . 1 . . . A 528 LYS CG . 11426 1 698 . 1 1 61 61 LYS CD C 13 29.555 0.047 . 1 . . . A 528 LYS CD . 11426 1 699 . 1 1 61 61 LYS CE C 13 41.705 0.089 . 1 . . . A 528 LYS CE . 11426 1 700 . 1 1 61 61 LYS N N 15 128.128 0.020 . 1 . . . A 528 LYS N . 11426 1 701 . 1 1 62 62 LEU H H 1 9.200 0.003 . 1 . . . A 529 LEU H . 11426 1 702 . 1 1 62 62 LEU HA H 1 5.001 0.004 . 1 . . . A 529 LEU HA . 11426 1 703 . 1 1 62 62 LEU HB2 H 1 1.819 0.008 . 1 . . . A 529 LEU HB2 . 11426 1 704 . 1 1 62 62 LEU HB3 H 1 1.785 0.001 . 1 . . . A 529 LEU HB3 . 11426 1 705 . 1 1 62 62 LEU HG H 1 1.688 0.007 . 1 . . . A 529 LEU HG . 11426 1 706 . 1 1 62 62 LEU HD11 H 1 0.936 0.008 . 1 . . . A 529 LEU HD11 . 11426 1 707 . 1 1 62 62 LEU HD12 H 1 0.936 0.008 . 1 . . . A 529 LEU HD12 . 11426 1 708 . 1 1 62 62 LEU HD13 H 1 0.936 0.008 . 1 . . . A 529 LEU HD13 . 11426 1 709 . 1 1 62 62 LEU HD21 H 1 0.932 0.008 . 1 . . . A 529 LEU HD21 . 11426 1 710 . 1 1 62 62 LEU HD22 H 1 0.932 0.008 . 1 . . . A 529 LEU HD22 . 11426 1 711 . 1 1 62 62 LEU HD23 H 1 0.932 0.008 . 1 . . . A 529 LEU HD23 . 11426 1 712 . 1 1 62 62 LEU C C 13 173.995 0.000 . 1 . . . A 529 LEU C . 11426 1 713 . 1 1 62 62 LEU CA C 13 52.428 0.016 . 1 . . . A 529 LEU CA . 11426 1 714 . 1 1 62 62 LEU CB C 13 44.158 0.033 . 1 . . . A 529 LEU CB . 11426 1 715 . 1 1 62 62 LEU CG C 13 27.816 0.081 . 1 . . . A 529 LEU CG . 11426 1 716 . 1 1 62 62 LEU CD1 C 13 27.141 0.047 . 2 . . . A 529 LEU CD1 . 11426 1 717 . 1 1 62 62 LEU CD2 C 13 25.156 0.080 . 2 . . . A 529 LEU CD2 . 11426 1 718 . 1 1 62 62 LEU N N 15 126.681 0.032 . 1 . . . A 529 LEU N . 11426 1 719 . 1 1 63 63 PRO HA H 1 4.550 0.003 . 1 . . . A 530 PRO HA . 11426 1 720 . 1 1 63 63 PRO HB2 H 1 2.201 0.004 . 2 . . . A 530 PRO HB2 . 11426 1 721 . 1 1 63 63 PRO HB3 H 1 1.881 0.004 . 2 . . . A 530 PRO HB3 . 11426 1 722 . 1 1 63 63 PRO HG2 H 1 1.815 0.004 . 2 . . . A 530 PRO HG2 . 11426 1 723 . 1 1 63 63 PRO HG3 H 1 1.971 0.004 . 2 . . . A 530 PRO HG3 . 11426 1 724 . 1 1 63 63 PRO HD2 H 1 3.460 0.003 . 2 . . . A 530 PRO HD2 . 11426 1 725 . 1 1 63 63 PRO HD3 H 1 3.635 0.004 . 2 . . . A 530 PRO HD3 . 11426 1 726 . 1 1 63 63 PRO CA C 13 61.919 0.020 . 1 . . . A 530 PRO CA . 11426 1 727 . 1 1 63 63 PRO CB C 13 30.227 0.067 . 1 . . . A 530 PRO CB . 11426 1 728 . 1 1 63 63 PRO CG C 13 27.180 0.069 . 1 . . . A 530 PRO CG . 11426 1 729 . 1 1 63 63 PRO CD C 13 50.012 0.040 . 1 . . . A 530 PRO CD . 11426 1 730 . 1 1 64 64 PRO HA H 1 4.243 0.003 . 1 . . . A 531 PRO HA . 11426 1 731 . 1 1 64 64 PRO HB2 H 1 2.086 0.005 . 2 . . . A 531 PRO HB2 . 11426 1 732 . 1 1 64 64 PRO HB3 H 1 1.801 0.004 . 2 . . . A 531 PRO HB3 . 11426 1 733 . 1 1 64 64 PRO HG2 H 1 1.867 0.008 . 2 . . . A 531 PRO HG2 . 11426 1 734 . 1 1 64 64 PRO HG3 H 1 2.096 0.003 . 2 . . . A 531 PRO HG3 . 11426 1 735 . 1 1 64 64 PRO HD2 H 1 3.456 0.004 . 2 . . . A 531 PRO HD2 . 11426 1 736 . 1 1 64 64 PRO HD3 H 1 3.548 0.003 . 2 . . . A 531 PRO HD3 . 11426 1 737 . 1 1 64 64 PRO C C 13 176.501 0.009 . 1 . . . A 531 PRO C . 11426 1 738 . 1 1 64 64 PRO CA C 13 64.101 0.053 . 1 . . . A 531 PRO CA . 11426 1 739 . 1 1 64 64 PRO CB C 13 31.660 0.094 . 1 . . . A 531 PRO CB . 11426 1 740 . 1 1 64 64 PRO CG C 13 27.830 0.079 . 1 . . . A 531 PRO CG . 11426 1 741 . 1 1 64 64 PRO CD C 13 49.874 0.066 . 1 . . . A 531 PRO CD . 11426 1 742 . 1 1 65 65 LEU H H 1 8.329 0.002 . 1 . . . A 532 LEU H . 11426 1 743 . 1 1 65 65 LEU HA H 1 4.786 0.006 . 1 . . . A 532 LEU HA . 11426 1 744 . 1 1 65 65 LEU HB2 H 1 1.583 0.005 . 2 . . . A 532 LEU HB2 . 11426 1 745 . 1 1 65 65 LEU HB3 H 1 1.711 0.005 . 2 . . . A 532 LEU HB3 . 11426 1 746 . 1 1 65 65 LEU HG H 1 2.116 0.006 . 1 . . . A 532 LEU HG . 11426 1 747 . 1 1 65 65 LEU HD11 H 1 1.001 0.007 . 1 . . . A 532 LEU HD11 . 11426 1 748 . 1 1 65 65 LEU HD12 H 1 1.001 0.007 . 1 . . . A 532 LEU HD12 . 11426 1 749 . 1 1 65 65 LEU HD13 H 1 1.001 0.007 . 1 . . . A 532 LEU HD13 . 11426 1 750 . 1 1 65 65 LEU HD21 H 1 1.025 0.009 . 1 . . . A 532 LEU HD21 . 11426 1 751 . 1 1 65 65 LEU HD22 H 1 1.025 0.009 . 1 . . . A 532 LEU HD22 . 11426 1 752 . 1 1 65 65 LEU HD23 H 1 1.025 0.009 . 1 . . . A 532 LEU HD23 . 11426 1 753 . 1 1 65 65 LEU C C 13 177.715 0.003 . 1 . . . A 532 LEU C . 11426 1 754 . 1 1 65 65 LEU CA C 13 52.731 0.035 . 1 . . . A 532 LEU CA . 11426 1 755 . 1 1 65 65 LEU CB C 13 46.850 0.056 . 1 . . . A 532 LEU CB . 11426 1 756 . 1 1 65 65 LEU CG C 13 26.016 0.066 . 1 . . . A 532 LEU CG . 11426 1 757 . 1 1 65 65 LEU CD1 C 13 26.884 0.067 . 2 . . . A 532 LEU CD1 . 11426 1 758 . 1 1 65 65 LEU CD2 C 13 23.685 0.048 . 2 . . . A 532 LEU CD2 . 11426 1 759 . 1 1 65 65 LEU N N 15 124.045 0.030 . 1 . . . A 532 LEU N . 11426 1 760 . 1 1 66 66 SER H H 1 8.668 0.003 . 1 . . . A 533 SER H . 11426 1 761 . 1 1 66 66 SER HA H 1 4.420 0.009 . 1 . . . A 533 SER HA . 11426 1 762 . 1 1 66 66 SER HB2 H 1 4.094 0.006 . 2 . . . A 533 SER HB2 . 11426 1 763 . 1 1 66 66 SER HB3 H 1 4.377 0.004 . 2 . . . A 533 SER HB3 . 11426 1 764 . 1 1 66 66 SER C C 13 174.562 0.003 . 1 . . . A 533 SER C . 11426 1 765 . 1 1 66 66 SER CA C 13 57.540 0.073 . 1 . . . A 533 SER CA . 11426 1 766 . 1 1 66 66 SER CB C 13 64.296 0.073 . 1 . . . A 533 SER CB . 11426 1 767 . 1 1 66 66 SER N N 15 118.700 0.017 . 1 . . . A 533 SER N . 11426 1 768 . 1 1 67 67 ASP H H 1 9.056 0.003 . 1 . . . A 534 ASP H . 11426 1 769 . 1 1 67 67 ASP HA H 1 4.364 0.009 . 1 . . . A 534 ASP HA . 11426 1 770 . 1 1 67 67 ASP HB2 H 1 2.662 0.003 . 2 . . . A 534 ASP HB2 . 11426 1 771 . 1 1 67 67 ASP C C 13 178.204 0.005 . 1 . . . A 534 ASP C . 11426 1 772 . 1 1 67 67 ASP CA C 13 58.538 0.074 . 1 . . . A 534 ASP CA . 11426 1 773 . 1 1 67 67 ASP CB C 13 40.400 0.062 . 1 . . . A 534 ASP CB . 11426 1 774 . 1 1 67 67 ASP N N 15 122.537 0.033 . 1 . . . A 534 ASP N . 11426 1 775 . 1 1 68 68 GLU H H 1 8.868 0.003 . 1 . . . A 535 GLU H . 11426 1 776 . 1 1 68 68 GLU HA H 1 4.043 0.006 . 1 . . . A 535 GLU HA . 11426 1 777 . 1 1 68 68 GLU HB2 H 1 2.014 0.010 . 2 . . . A 535 GLU HB2 . 11426 1 778 . 1 1 68 68 GLU HB3 H 1 2.074 0.007 . 2 . . . A 535 GLU HB3 . 11426 1 779 . 1 1 68 68 GLU HG2 H 1 2.352 0.005 . 2 . . . A 535 GLU HG2 . 11426 1 780 . 1 1 68 68 GLU C C 13 179.806 0.001 . 1 . . . A 535 GLU C . 11426 1 781 . 1 1 68 68 GLU CA C 13 60.141 0.045 . 1 . . . A 535 GLU CA . 11426 1 782 . 1 1 68 68 GLU CB C 13 29.067 0.097 . 1 . . . A 535 GLU CB . 11426 1 783 . 1 1 68 68 GLU CG C 13 36.628 0.000 . 1 . . . A 535 GLU CG . 11426 1 784 . 1 1 68 68 GLU N N 15 117.059 0.039 . 1 . . . A 535 GLU N . 11426 1 785 . 1 1 69 69 ARG H H 1 7.699 0.002 . 1 . . . A 536 ARG H . 11426 1 786 . 1 1 69 69 ARG HA H 1 4.317 0.003 . 1 . . . A 536 ARG HA . 11426 1 787 . 1 1 69 69 ARG HB2 H 1 2.127 0.007 . 1 . . . A 536 ARG HB2 . 11426 1 788 . 1 1 69 69 ARG HB3 H 1 2.008 0.005 . 1 . . . A 536 ARG HB3 . 11426 1 789 . 1 1 69 69 ARG HG2 H 1 1.883 0.002 . 1 . . . A 536 ARG HG2 . 11426 1 790 . 1 1 69 69 ARG HG3 H 1 1.680 0.009 . 1 . . . A 536 ARG HG3 . 11426 1 791 . 1 1 69 69 ARG HD2 H 1 3.142 0.007 . 2 . . . A 536 ARG HD2 . 11426 1 792 . 1 1 69 69 ARG HD3 H 1 3.261 0.006 . 2 . . . A 536 ARG HD3 . 11426 1 793 . 1 1 69 69 ARG HE H 1 6.996 0.002 . 1 . . . A 536 ARG HE . 11426 1 794 . 1 1 69 69 ARG C C 13 177.941 0.003 . 1 . . . A 536 ARG C . 11426 1 795 . 1 1 69 69 ARG CA C 13 58.603 0.071 . 1 . . . A 536 ARG CA . 11426 1 796 . 1 1 69 69 ARG CB C 13 30.096 0.080 . 1 . . . A 536 ARG CB . 11426 1 797 . 1 1 69 69 ARG CG C 13 27.362 0.096 . 1 . . . A 536 ARG CG . 11426 1 798 . 1 1 69 69 ARG CD C 13 42.823 0.095 . 1 . . . A 536 ARG CD . 11426 1 799 . 1 1 69 69 ARG N N 15 120.461 0.020 . 1 . . . A 536 ARG N . 11426 1 800 . 1 1 69 69 ARG NE N 15 115.599 0.001 . 1 . . . A 536 ARG NE . 11426 1 801 . 1 1 70 70 ARG H H 1 8.936 0.003 . 1 . . . A 537 ARG H . 11426 1 802 . 1 1 70 70 ARG HA H 1 4.097 0.006 . 1 . . . A 537 ARG HA . 11426 1 803 . 1 1 70 70 ARG HB2 H 1 1.783 0.009 . 2 . . . A 537 ARG HB2 . 11426 1 804 . 1 1 70 70 ARG HB3 H 1 2.114 0.009 . 2 . . . A 537 ARG HB3 . 11426 1 805 . 1 1 70 70 ARG HG2 H 1 1.544 0.008 . 2 . . . A 537 ARG HG2 . 11426 1 806 . 1 1 70 70 ARG HG3 H 1 1.693 0.007 . 2 . . . A 537 ARG HG3 . 11426 1 807 . 1 1 70 70 ARG HD2 H 1 3.164 0.007 . 2 . . . A 537 ARG HD2 . 11426 1 808 . 1 1 70 70 ARG HE H 1 7.056 0.002 . 1 . . . A 537 ARG HE . 11426 1 809 . 1 1 70 70 ARG CA C 13 59.274 0.055 . 1 . . . A 537 ARG CA . 11426 1 810 . 1 1 70 70 ARG CB C 13 30.061 0.066 . 1 . . . A 537 ARG CB . 11426 1 811 . 1 1 70 70 ARG CG C 13 27.553 0.083 . 1 . . . A 537 ARG CG . 11426 1 812 . 1 1 70 70 ARG CD C 13 43.185 0.040 . 1 . . . A 537 ARG CD . 11426 1 813 . 1 1 70 70 ARG CZ C 13 179.490 0.001 . 1 . . . A 537 ARG CZ . 11426 1 814 . 1 1 70 70 ARG N N 15 121.402 0.021 . 1 . . . A 537 ARG N . 11426 1 815 . 1 1 70 70 ARG NE N 15 113.114 0.011 . 1 . . . A 537 ARG NE . 11426 1 816 . 1 1 71 71 LEU H H 1 8.193 0.002 . 1 . . . A 538 LEU H . 11426 1 817 . 1 1 71 71 LEU HA H 1 4.092 0.004 . 1 . . . A 538 LEU HA . 11426 1 818 . 1 1 71 71 LEU HB2 H 1 1.577 0.005 . 2 . . . A 538 LEU HB2 . 11426 1 819 . 1 1 71 71 LEU HB3 H 1 1.850 0.006 . 2 . . . A 538 LEU HB3 . 11426 1 820 . 1 1 71 71 LEU HG H 1 1.752 0.006 . 1 . . . A 538 LEU HG . 11426 1 821 . 1 1 71 71 LEU HD11 H 1 0.903 0.009 . 1 . . . A 538 LEU HD11 . 11426 1 822 . 1 1 71 71 LEU HD12 H 1 0.903 0.009 . 1 . . . A 538 LEU HD12 . 11426 1 823 . 1 1 71 71 LEU HD13 H 1 0.903 0.009 . 1 . . . A 538 LEU HD13 . 11426 1 824 . 1 1 71 71 LEU HD21 H 1 0.902 0.011 . 1 . . . A 538 LEU HD21 . 11426 1 825 . 1 1 71 71 LEU HD22 H 1 0.902 0.011 . 1 . . . A 538 LEU HD22 . 11426 1 826 . 1 1 71 71 LEU HD23 H 1 0.902 0.011 . 1 . . . A 538 LEU HD23 . 11426 1 827 . 1 1 71 71 LEU C C 13 179.590 0.008 . 1 . . . A 538 LEU C . 11426 1 828 . 1 1 71 71 LEU CA C 13 57.937 0.052 . 1 . . . A 538 LEU CA . 11426 1 829 . 1 1 71 71 LEU CB C 13 41.683 0.046 . 1 . . . A 538 LEU CB . 11426 1 830 . 1 1 71 71 LEU CG C 13 27.438 0.058 . 1 . . . A 538 LEU CG . 11426 1 831 . 1 1 71 71 LEU CD1 C 13 24.817 0.011 . 2 . . . A 538 LEU CD1 . 11426 1 832 . 1 1 71 71 LEU CD2 C 13 23.525 0.055 . 2 . . . A 538 LEU CD2 . 11426 1 833 . 1 1 71 71 LEU N N 15 119.823 0.040 . 1 . . . A 538 LEU N . 11426 1 834 . 1 1 72 72 GLU H H 1 7.769 0.002 . 1 . . . A 539 GLU H . 11426 1 835 . 1 1 72 72 GLU HA H 1 4.153 0.006 . 1 . . . A 539 GLU HA . 11426 1 836 . 1 1 72 72 GLU HB2 H 1 2.290 0.001 . 2 . . . A 539 GLU HB2 . 11426 1 837 . 1 1 72 72 GLU HB3 H 1 2.256 0.010 . 2 . . . A 539 GLU HB3 . 11426 1 838 . 1 1 72 72 GLU HG2 H 1 2.290 0.004 . 2 . . . A 539 GLU HG2 . 11426 1 839 . 1 1 72 72 GLU HG3 H 1 2.378 0.006 . 2 . . . A 539 GLU HG3 . 11426 1 840 . 1 1 72 72 GLU C C 13 178.495 0.001 . 1 . . . A 539 GLU C . 11426 1 841 . 1 1 72 72 GLU CA C 13 59.185 0.050 . 1 . . . A 539 GLU CA . 11426 1 842 . 1 1 72 72 GLU CB C 13 29.611 0.069 . 1 . . . A 539 GLU CB . 11426 1 843 . 1 1 72 72 GLU CG C 13 35.223 0.039 . 1 . . . A 539 GLU CG . 11426 1 844 . 1 1 72 72 GLU N N 15 121.162 0.019 . 1 . . . A 539 GLU N . 11426 1 845 . 1 1 73 73 LEU H H 1 8.238 0.004 . 1 . . . A 540 LEU H . 11426 1 846 . 1 1 73 73 LEU HA H 1 3.512 0.007 . 1 . . . A 540 LEU HA . 11426 1 847 . 1 1 73 73 LEU HB2 H 1 0.795 0.006 . 2 . . . A 540 LEU HB2 . 11426 1 848 . 1 1 73 73 LEU HB3 H 1 1.608 0.005 . 2 . . . A 540 LEU HB3 . 11426 1 849 . 1 1 73 73 LEU HG H 1 0.181 0.005 . 1 . . . A 540 LEU HG . 11426 1 850 . 1 1 73 73 LEU HD11 H 1 -0.498 0.008 . 1 . . . A 540 LEU HD11 . 11426 1 851 . 1 1 73 73 LEU HD12 H 1 -0.498 0.008 . 1 . . . A 540 LEU HD12 . 11426 1 852 . 1 1 73 73 LEU HD13 H 1 -0.498 0.008 . 1 . . . A 540 LEU HD13 . 11426 1 853 . 1 1 73 73 LEU HD21 H 1 0.043 0.011 . 1 . . . A 540 LEU HD21 . 11426 1 854 . 1 1 73 73 LEU HD22 H 1 0.043 0.011 . 1 . . . A 540 LEU HD22 . 11426 1 855 . 1 1 73 73 LEU HD23 H 1 0.043 0.011 . 1 . . . A 540 LEU HD23 . 11426 1 856 . 1 1 73 73 LEU C C 13 177.667 0.007 . 1 . . . A 540 LEU C . 11426 1 857 . 1 1 73 73 LEU CA C 13 57.582 0.094 . 1 . . . A 540 LEU CA . 11426 1 858 . 1 1 73 73 LEU CB C 13 39.398 0.059 . 1 . . . A 540 LEU CB . 11426 1 859 . 1 1 73 73 LEU CG C 13 25.389 0.085 . 1 . . . A 540 LEU CG . 11426 1 860 . 1 1 73 73 LEU CD1 C 13 20.789 0.025 . 2 . . . A 540 LEU CD1 . 11426 1 861 . 1 1 73 73 LEU CD2 C 13 25.212 0.042 . 2 . . . A 540 LEU CD2 . 11426 1 862 . 1 1 73 73 LEU N N 15 120.367 0.034 . 1 . . . A 540 LEU N . 11426 1 863 . 1 1 74 74 GLU H H 1 8.058 0.006 . 1 . . . A 541 GLU H . 11426 1 864 . 1 1 74 74 GLU HA H 1 3.790 0.003 . 1 . . . A 541 GLU HA . 11426 1 865 . 1 1 74 74 GLU HB2 H 1 2.267 0.009 . 1 . . . A 541 GLU HB2 . 11426 1 866 . 1 1 74 74 GLU HB3 H 1 2.343 0.008 . 1 . . . A 541 GLU HB3 . 11426 1 867 . 1 1 74 74 GLU HG2 H 1 2.271 0.006 . 2 . . . A 541 GLU HG2 . 11426 1 868 . 1 1 74 74 GLU HG3 H 1 2.728 0.003 . 2 . . . A 541 GLU HG3 . 11426 1 869 . 1 1 74 74 GLU C C 13 179.571 0.003 . 1 . . . A 541 GLU C . 11426 1 870 . 1 1 74 74 GLU CA C 13 60.795 0.041 . 1 . . . A 541 GLU CA . 11426 1 871 . 1 1 74 74 GLU CB C 13 29.436 0.021 . 1 . . . A 541 GLU CB . 11426 1 872 . 1 1 74 74 GLU CG C 13 37.302 0.068 . 1 . . . A 541 GLU CG . 11426 1 873 . 1 1 74 74 GLU N N 15 117.441 0.046 . 1 . . . A 541 GLU N . 11426 1 874 . 1 1 75 75 ARG H H 1 7.868 0.002 . 1 . . . A 542 ARG H . 11426 1 875 . 1 1 75 75 ARG HA H 1 4.198 0.004 . 1 . . . A 542 ARG HA . 11426 1 876 . 1 1 75 75 ARG HB2 H 1 2.069 0.005 . 2 . . . A 542 ARG HB2 . 11426 1 877 . 1 1 75 75 ARG HG2 H 1 1.642 0.005 . 2 . . . A 542 ARG HG2 . 11426 1 878 . 1 1 75 75 ARG HG3 H 1 1.871 0.006 . 2 . . . A 542 ARG HG3 . 11426 1 879 . 1 1 75 75 ARG HD2 H 1 3.239 0.009 . 2 . . . A 542 ARG HD2 . 11426 1 880 . 1 1 75 75 ARG HD3 H 1 3.281 0.009 . 2 . . . A 542 ARG HD3 . 11426 1 881 . 1 1 75 75 ARG HE H 1 7.548 0.001 . 1 . . . A 542 ARG HE . 11426 1 882 . 1 1 75 75 ARG C C 13 179.681 0.008 . 1 . . . A 542 ARG C . 11426 1 883 . 1 1 75 75 ARG CA C 13 59.649 0.060 . 1 . . . A 542 ARG CA . 11426 1 884 . 1 1 75 75 ARG CB C 13 30.121 0.072 . 1 . . . A 542 ARG CB . 11426 1 885 . 1 1 75 75 ARG CG C 13 27.581 0.039 . 1 . . . A 542 ARG CG . 11426 1 886 . 1 1 75 75 ARG CD C 13 43.557 0.017 . 1 . . . A 542 ARG CD . 11426 1 887 . 1 1 75 75 ARG N N 15 119.407 0.021 . 1 . . . A 542 ARG N . 11426 1 888 . 1 1 75 75 ARG NE N 15 115.353 0.002 . 1 . . . A 542 ARG NE . 11426 1 889 . 1 1 76 76 LEU H H 1 8.422 0.002 . 1 . . . A 543 LEU H . 11426 1 890 . 1 1 76 76 LEU HA H 1 4.342 0.008 . 1 . . . A 543 LEU HA . 11426 1 891 . 1 1 76 76 LEU HB2 H 1 1.394 0.005 . 2 . . . A 543 LEU HB2 . 11426 1 892 . 1 1 76 76 LEU HB3 H 1 2.046 0.007 . 2 . . . A 543 LEU HB3 . 11426 1 893 . 1 1 76 76 LEU HG H 1 1.967 0.006 . 1 . . . A 543 LEU HG . 11426 1 894 . 1 1 76 76 LEU HD11 H 1 0.855 0.009 . 1 . . . A 543 LEU HD11 . 11426 1 895 . 1 1 76 76 LEU HD12 H 1 0.855 0.009 . 1 . . . A 543 LEU HD12 . 11426 1 896 . 1 1 76 76 LEU HD13 H 1 0.855 0.009 . 1 . . . A 543 LEU HD13 . 11426 1 897 . 1 1 76 76 LEU HD21 H 1 0.906 0.008 . 1 . . . A 543 LEU HD21 . 11426 1 898 . 1 1 76 76 LEU HD22 H 1 0.906 0.008 . 1 . . . A 543 LEU HD22 . 11426 1 899 . 1 1 76 76 LEU HD23 H 1 0.906 0.008 . 1 . . . A 543 LEU HD23 . 11426 1 900 . 1 1 76 76 LEU C C 13 180.745 0.001 . 1 . . . A 543 LEU C . 11426 1 901 . 1 1 76 76 LEU CA C 13 57.899 0.078 . 1 . . . A 543 LEU CA . 11426 1 902 . 1 1 76 76 LEU CB C 13 42.637 0.060 . 1 . . . A 543 LEU CB . 11426 1 903 . 1 1 76 76 LEU CG C 13 26.468 0.063 . 1 . . . A 543 LEU CG . 11426 1 904 . 1 1 76 76 LEU CD1 C 13 25.993 0.063 . 2 . . . A 543 LEU CD1 . 11426 1 905 . 1 1 76 76 LEU CD2 C 13 23.053 0.064 . 2 . . . A 543 LEU CD2 . 11426 1 906 . 1 1 76 76 LEU N N 15 122.117 0.033 . 1 . . . A 543 LEU N . 11426 1 907 . 1 1 77 77 PHE H H 1 8.999 0.005 . 1 . . . A 544 PHE H . 11426 1 908 . 1 1 77 77 PHE HA H 1 4.253 0.006 . 1 . . . A 544 PHE HA . 11426 1 909 . 1 1 77 77 PHE HB2 H 1 2.750 0.009 . 2 . . . A 544 PHE HB2 . 11426 1 910 . 1 1 77 77 PHE HB3 H 1 3.107 0.008 . 2 . . . A 544 PHE HB3 . 11426 1 911 . 1 1 77 77 PHE HD2 H 1 6.646 0.000 . 1 . . . A 544 PHE HD2 . 11426 1 912 . 1 1 77 77 PHE HE2 H 1 6.209 0.000 . 1 . . . A 544 PHE HE2 . 11426 1 913 . 1 1 77 77 PHE C C 13 177.808 0.003 . 1 . . . A 544 PHE C . 11426 1 914 . 1 1 77 77 PHE CA C 13 58.967 0.042 . 1 . . . A 544 PHE CA . 11426 1 915 . 1 1 77 77 PHE CB C 13 37.942 0.079 . 1 . . . A 544 PHE CB . 11426 1 916 . 1 1 77 77 PHE N N 15 119.457 0.031 . 1 . . . A 544 PHE N . 11426 1 917 . 1 1 78 78 ALA H H 1 7.326 0.003 . 1 . . . A 545 ALA H . 11426 1 918 . 1 1 78 78 ALA HA H 1 4.679 0.009 . 1 . . . A 545 ALA HA . 11426 1 919 . 1 1 78 78 ALA HB1 H 1 1.601 0.009 . 1 . . . A 545 ALA HB1 . 11426 1 920 . 1 1 78 78 ALA HB2 H 1 1.601 0.009 . 1 . . . A 545 ALA HB2 . 11426 1 921 . 1 1 78 78 ALA HB3 H 1 1.601 0.009 . 1 . . . A 545 ALA HB3 . 11426 1 922 . 1 1 78 78 ALA C C 13 180.051 0.003 . 1 . . . A 545 ALA C . 11426 1 923 . 1 1 78 78 ALA CA C 13 54.604 0.082 . 1 . . . A 545 ALA CA . 11426 1 924 . 1 1 78 78 ALA CB C 13 19.353 0.074 . 1 . . . A 545 ALA CB . 11426 1 925 . 1 1 78 78 ALA N N 15 118.837 0.032 . 1 . . . A 545 ALA N . 11426 1 926 . 1 1 79 79 SER H H 1 8.841 0.003 . 1 . . . A 546 SER H . 11426 1 927 . 1 1 79 79 SER HA H 1 4.353 0.008 . 1 . . . A 546 SER HA . 11426 1 928 . 1 1 79 79 SER HB2 H 1 3.991 0.009 . 2 . . . A 546 SER HB2 . 11426 1 929 . 1 1 79 79 SER C C 13 176.003 0.003 . 1 . . . A 546 SER C . 11426 1 930 . 1 1 79 79 SER CA C 13 60.965 0.076 . 1 . . . A 546 SER CA . 11426 1 931 . 1 1 79 79 SER CB C 13 63.783 0.098 . 1 . . . A 546 SER CB . 11426 1 932 . 1 1 79 79 SER N N 15 112.310 0.032 . 1 . . . A 546 SER N . 11426 1 933 . 1 1 80 80 GLU H H 1 8.549 0.004 . 1 . . . A 547 GLU H . 11426 1 934 . 1 1 80 80 GLU HA H 1 4.632 0.006 . 1 . . . A 547 GLU HA . 11426 1 935 . 1 1 80 80 GLU HB2 H 1 2.217 0.009 . 2 . . . A 547 GLU HB2 . 11426 1 936 . 1 1 80 80 GLU HB3 H 1 2.345 0.006 . 2 . . . A 547 GLU HB3 . 11426 1 937 . 1 1 80 80 GLU HG2 H 1 2.355 0.006 . 2 . . . A 547 GLU HG2 . 11426 1 938 . 1 1 80 80 GLU HG3 H 1 2.452 0.005 . 2 . . . A 547 GLU HG3 . 11426 1 939 . 1 1 80 80 GLU C C 13 177.185 0.002 . 1 . . . A 547 GLU C . 11426 1 940 . 1 1 80 80 GLU CA C 13 57.861 0.064 . 1 . . . A 547 GLU CA . 11426 1 941 . 1 1 80 80 GLU CB C 13 30.708 0.061 . 1 . . . A 547 GLU CB . 11426 1 942 . 1 1 80 80 GLU CG C 13 36.858 0.021 . 1 . . . A 547 GLU CG . 11426 1 943 . 1 1 80 80 GLU N N 15 119.482 0.018 . 1 . . . A 547 GLU N . 11426 1 944 . 1 1 81 81 LEU H H 1 7.017 0.003 . 1 . . . A 548 LEU H . 11426 1 945 . 1 1 81 81 LEU HA H 1 4.198 0.003 . 1 . . . A 548 LEU HA . 11426 1 946 . 1 1 81 81 LEU HB2 H 1 0.872 0.006 . 2 . . . A 548 LEU HB2 . 11426 1 947 . 1 1 81 81 LEU HB3 H 1 1.743 0.004 . 2 . . . A 548 LEU HB3 . 11426 1 948 . 1 1 81 81 LEU HG H 1 1.236 0.006 . 1 . . . A 548 LEU HG . 11426 1 949 . 1 1 81 81 LEU HD11 H 1 0.317 0.010 . 1 . . . A 548 LEU HD11 . 11426 1 950 . 1 1 81 81 LEU HD12 H 1 0.317 0.010 . 1 . . . A 548 LEU HD12 . 11426 1 951 . 1 1 81 81 LEU HD13 H 1 0.317 0.010 . 1 . . . A 548 LEU HD13 . 11426 1 952 . 1 1 81 81 LEU HD21 H 1 0.351 0.010 . 1 . . . A 548 LEU HD21 . 11426 1 953 . 1 1 81 81 LEU HD22 H 1 0.351 0.010 . 1 . . . A 548 LEU HD22 . 11426 1 954 . 1 1 81 81 LEU HD23 H 1 0.351 0.010 . 1 . . . A 548 LEU HD23 . 11426 1 955 . 1 1 81 81 LEU C C 13 176.014 0.005 . 1 . . . A 548 LEU C . 11426 1 956 . 1 1 81 81 LEU CA C 13 54.596 0.073 . 1 . . . A 548 LEU CA . 11426 1 957 . 1 1 81 81 LEU CB C 13 42.144 0.055 . 1 . . . A 548 LEU CB . 11426 1 958 . 1 1 81 81 LEU CG C 13 26.477 0.044 . 1 . . . A 548 LEU CG . 11426 1 959 . 1 1 81 81 LEU CD1 C 13 23.694 0.061 . 2 . . . A 548 LEU CD1 . 11426 1 960 . 1 1 81 81 LEU CD2 C 13 24.807 0.041 . 2 . . . A 548 LEU CD2 . 11426 1 961 . 1 1 81 81 LEU N N 15 117.466 0.024 . 1 . . . A 548 LEU N . 11426 1 962 . 1 1 82 82 LYS H H 1 7.067 0.002 . 1 . . . A 549 LYS H . 11426 1 963 . 1 1 82 82 LYS HA H 1 4.094 0.006 . 1 . . . A 549 LYS HA . 11426 1 964 . 1 1 82 82 LYS HB2 H 1 1.923 0.007 . 2 . . . A 549 LYS HB2 . 11426 1 965 . 1 1 82 82 LYS HB3 H 1 2.102 0.007 . 2 . . . A 549 LYS HB3 . 11426 1 966 . 1 1 82 82 LYS HG2 H 1 1.624 0.010 . 2 . . . A 549 LYS HG2 . 11426 1 967 . 1 1 82 82 LYS HD2 H 1 1.281 0.005 . 2 . . . A 549 LYS HD2 . 11426 1 968 . 1 1 82 82 LYS HE2 H 1 2.998 0.004 . 2 . . . A 549 LYS HE2 . 11426 1 969 . 1 1 82 82 LYS C C 13 176.010 0.013 . 1 . . . A 549 LYS C . 11426 1 970 . 1 1 82 82 LYS CA C 13 56.828 0.050 . 1 . . . A 549 LYS CA . 11426 1 971 . 1 1 82 82 LYS CB C 13 28.540 0.078 . 1 . . . A 549 LYS CB . 11426 1 972 . 1 1 82 82 LYS CD C 13 24.706 0.099 . 1 . . . A 549 LYS CD . 11426 1 973 . 1 1 82 82 LYS CE C 13 42.495 0.025 . 1 . . . A 549 LYS CE . 11426 1 974 . 1 1 82 82 LYS N N 15 112.303 0.021 . 1 . . . A 549 LYS N . 11426 1 975 . 1 1 83 83 ALA H H 1 8.055 0.003 . 1 . . . A 550 ALA H . 11426 1 976 . 1 1 83 83 ALA HA H 1 4.846 0.003 . 1 . . . A 550 ALA HA . 11426 1 977 . 1 1 83 83 ALA HB1 H 1 0.965 0.007 . 1 . . . A 550 ALA HB1 . 11426 1 978 . 1 1 83 83 ALA HB2 H 1 0.965 0.007 . 1 . . . A 550 ALA HB2 . 11426 1 979 . 1 1 83 83 ALA HB3 H 1 0.965 0.007 . 1 . . . A 550 ALA HB3 . 11426 1 980 . 1 1 83 83 ALA C C 13 176.381 0.002 . 1 . . . A 550 ALA C . 11426 1 981 . 1 1 83 83 ALA CA C 13 50.506 0.038 . 1 . . . A 550 ALA CA . 11426 1 982 . 1 1 83 83 ALA CB C 13 21.108 0.085 . 1 . . . A 550 ALA CB . 11426 1 983 . 1 1 83 83 ALA N N 15 122.140 0.022 . 1 . . . A 550 ALA N . 11426 1 984 . 1 1 84 84 THR H H 1 8.739 0.003 . 1 . . . A 551 THR H . 11426 1 985 . 1 1 84 84 THR HA H 1 4.332 0.004 . 1 . . . A 551 THR HA . 11426 1 986 . 1 1 84 84 THR HB H 1 3.810 0.009 . 1 . . . A 551 THR HB . 11426 1 987 . 1 1 84 84 THR HG21 H 1 1.045 0.003 . 1 . . . A 551 THR HG21 . 11426 1 988 . 1 1 84 84 THR HG22 H 1 1.045 0.003 . 1 . . . A 551 THR HG22 . 11426 1 989 . 1 1 84 84 THR HG23 H 1 1.045 0.003 . 1 . . . A 551 THR HG23 . 11426 1 990 . 1 1 84 84 THR C C 13 174.049 0.005 . 1 . . . A 551 THR C . 11426 1 991 . 1 1 84 84 THR CA C 13 62.027 0.083 . 1 . . . A 551 THR CA . 11426 1 992 . 1 1 84 84 THR CB C 13 70.716 0.088 . 1 . . . A 551 THR CB . 11426 1 993 . 1 1 84 84 THR CG2 C 13 21.385 0.094 . 1 . . . A 551 THR CG2 . 11426 1 994 . 1 1 84 84 THR N N 15 116.196 0.038 . 1 . . . A 551 THR N . 11426 1 995 . 1 1 85 85 VAL H H 1 9.039 0.007 . 1 . . . A 552 VAL H . 11426 1 996 . 1 1 85 85 VAL HA H 1 4.065 0.004 . 1 . . . A 552 VAL HA . 11426 1 997 . 1 1 85 85 VAL HB H 1 2.199 0.003 . 1 . . . A 552 VAL HB . 11426 1 998 . 1 1 85 85 VAL HG11 H 1 1.005 0.007 . 1 . . . A 552 VAL HG11 . 11426 1 999 . 1 1 85 85 VAL HG12 H 1 1.005 0.007 . 1 . . . A 552 VAL HG12 . 11426 1 1000 . 1 1 85 85 VAL HG13 H 1 1.005 0.007 . 1 . . . A 552 VAL HG13 . 11426 1 1001 . 1 1 85 85 VAL HG21 H 1 0.963 0.008 . 1 . . . A 552 VAL HG21 . 11426 1 1002 . 1 1 85 85 VAL HG22 H 1 0.963 0.008 . 1 . . . A 552 VAL HG22 . 11426 1 1003 . 1 1 85 85 VAL HG23 H 1 0.963 0.008 . 1 . . . A 552 VAL HG23 . 11426 1 1004 . 1 1 85 85 VAL C C 13 175.524 0.002 . 1 . . . A 552 VAL C . 11426 1 1005 . 1 1 85 85 VAL CA C 13 62.788 0.083 . 1 . . . A 552 VAL CA . 11426 1 1006 . 1 1 85 85 VAL CB C 13 31.149 0.088 . 1 . . . A 552 VAL CB . 11426 1 1007 . 1 1 85 85 VAL CG1 C 13 22.250 0.078 . 1 . . . A 552 VAL CG1 . 11426 1 1008 . 1 1 85 85 VAL CG2 C 13 21.904 0.011 . 1 . . . A 552 VAL CG2 . 11426 1 1009 . 1 1 85 85 VAL N N 15 128.245 0.069 . 1 . . . A 552 VAL N . 11426 1 1010 . 1 1 86 86 LEU H H 1 8.889 0.003 . 1 . . . A 553 LEU H . 11426 1 1011 . 1 1 86 86 LEU HA H 1 4.235 0.006 . 1 . . . A 553 LEU HA . 11426 1 1012 . 1 1 86 86 LEU HB2 H 1 1.412 0.007 . 2 . . . A 553 LEU HB2 . 11426 1 1013 . 1 1 86 86 LEU HB3 H 1 1.483 0.009 . 2 . . . A 553 LEU HB3 . 11426 1 1014 . 1 1 86 86 LEU HG H 1 1.455 0.006 . 1 . . . A 553 LEU HG . 11426 1 1015 . 1 1 86 86 LEU HD11 H 1 0.702 0.008 . 1 . . . A 553 LEU HD11 . 11426 1 1016 . 1 1 86 86 LEU HD12 H 1 0.702 0.008 . 1 . . . A 553 LEU HD12 . 11426 1 1017 . 1 1 86 86 LEU HD13 H 1 0.702 0.008 . 1 . . . A 553 LEU HD13 . 11426 1 1018 . 1 1 86 86 LEU HD21 H 1 0.651 0.010 . 1 . . . A 553 LEU HD21 . 11426 1 1019 . 1 1 86 86 LEU HD22 H 1 0.651 0.010 . 1 . . . A 553 LEU HD22 . 11426 1 1020 . 1 1 86 86 LEU HD23 H 1 0.651 0.010 . 1 . . . A 553 LEU HD23 . 11426 1 1021 . 1 1 86 86 LEU C C 13 177.227 0.002 . 1 . . . A 553 LEU C . 11426 1 1022 . 1 1 86 86 LEU CA C 13 55.925 0.080 . 1 . . . A 553 LEU CA . 11426 1 1023 . 1 1 86 86 LEU CB C 13 42.465 0.063 . 1 . . . A 553 LEU CB . 11426 1 1024 . 1 1 86 86 LEU CG C 13 26.994 0.022 . 1 . . . A 553 LEU CG . 11426 1 1025 . 1 1 86 86 LEU CD1 C 13 25.142 0.053 . 2 . . . A 553 LEU CD1 . 11426 1 1026 . 1 1 86 86 LEU CD2 C 13 22.632 0.037 . 2 . . . A 553 LEU CD2 . 11426 1 1027 . 1 1 86 86 LEU N N 15 130.286 0.033 . 1 . . . A 553 LEU N . 11426 1 1028 . 1 1 87 87 ALA H H 1 7.733 0.003 . 1 . . . A 554 ALA H . 11426 1 1029 . 1 1 87 87 ALA HA H 1 4.519 0.005 . 1 . . . A 554 ALA HA . 11426 1 1030 . 1 1 87 87 ALA HB1 H 1 1.353 0.010 . 1 . . . A 554 ALA HB1 . 11426 1 1031 . 1 1 87 87 ALA HB2 H 1 1.353 0.010 . 1 . . . A 554 ALA HB2 . 11426 1 1032 . 1 1 87 87 ALA HB3 H 1 1.353 0.010 . 1 . . . A 554 ALA HB3 . 11426 1 1033 . 1 1 87 87 ALA C C 13 175.553 0.001 . 1 . . . A 554 ALA C . 11426 1 1034 . 1 1 87 87 ALA CA C 13 52.116 0.081 . 1 . . . A 554 ALA CA . 11426 1 1035 . 1 1 87 87 ALA CB C 13 21.842 0.050 . 1 . . . A 554 ALA CB . 11426 1 1036 . 1 1 87 87 ALA N N 15 118.809 0.027 . 1 . . . A 554 ALA N . 11426 1 1037 . 1 1 88 88 SER H H 1 8.265 0.002 . 1 . . . A 555 SER H . 11426 1 1038 . 1 1 88 88 SER HA H 1 5.004 0.006 . 1 . . . A 555 SER HA . 11426 1 1039 . 1 1 88 88 SER HB2 H 1 3.314 0.008 . 2 . . . A 555 SER HB2 . 11426 1 1040 . 1 1 88 88 SER HB3 H 1 3.646 0.009 . 2 . . . A 555 SER HB3 . 11426 1 1041 . 1 1 88 88 SER C C 13 173.145 0.002 . 1 . . . A 555 SER C . 11426 1 1042 . 1 1 88 88 SER CA C 13 57.002 0.072 . 1 . . . A 555 SER CA . 11426 1 1043 . 1 1 88 88 SER CB C 13 65.822 0.073 . 1 . . . A 555 SER CB . 11426 1 1044 . 1 1 88 88 SER N N 15 114.206 0.031 . 1 . . . A 555 SER N . 11426 1 1045 . 1 1 89 89 GLU H H 1 8.404 0.002 . 1 . . . A 556 GLU H . 11426 1 1046 . 1 1 89 89 GLU HA H 1 4.647 0.004 . 1 . . . A 556 GLU HA . 11426 1 1047 . 1 1 89 89 GLU HB2 H 1 1.903 0.008 . 2 . . . A 556 GLU HB2 . 11426 1 1048 . 1 1 89 89 GLU HB3 H 1 2.026 0.009 . 2 . . . A 556 GLU HB3 . 11426 1 1049 . 1 1 89 89 GLU HG2 H 1 2.102 0.003 . 2 . . . A 556 GLU HG2 . 11426 1 1050 . 1 1 89 89 GLU C C 13 174.581 0.000 . 1 . . . A 556 GLU C . 11426 1 1051 . 1 1 89 89 GLU CA C 13 55.205 0.050 . 1 . . . A 556 GLU CA . 11426 1 1052 . 1 1 89 89 GLU CB C 13 33.145 0.068 . 1 . . . A 556 GLU CB . 11426 1 1053 . 1 1 89 89 GLU CG C 13 35.645 0.024 . 1 . . . A 556 GLU CG . 11426 1 1054 . 1 1 89 89 GLU N N 15 120.733 0.037 . 1 . . . A 556 GLU N . 11426 1 1055 . 1 1 90 90 THR H H 1 8.730 0.002 . 1 . . . A 557 THR H . 11426 1 1056 . 1 1 90 90 THR HA H 1 4.885 0.005 . 1 . . . A 557 THR HA . 11426 1 1057 . 1 1 90 90 THR HB H 1 4.003 0.004 . 1 . . . A 557 THR HB . 11426 1 1058 . 1 1 90 90 THR HG21 H 1 1.193 0.009 . 1 . . . A 557 THR HG21 . 11426 1 1059 . 1 1 90 90 THR HG22 H 1 1.193 0.009 . 1 . . . A 557 THR HG22 . 11426 1 1060 . 1 1 90 90 THR HG23 H 1 1.193 0.009 . 1 . . . A 557 THR HG23 . 11426 1 1061 . 1 1 90 90 THR C C 13 174.228 0.002 . 1 . . . A 557 THR C . 11426 1 1062 . 1 1 90 90 THR CA C 13 62.105 0.097 . 1 . . . A 557 THR CA . 11426 1 1063 . 1 1 90 90 THR CB C 13 69.975 0.024 . 1 . . . A 557 THR CB . 11426 1 1064 . 1 1 90 90 THR CG2 C 13 21.974 0.016 . 1 . . . A 557 THR CG2 . 11426 1 1065 . 1 1 90 90 THR N N 15 120.158 0.015 . 1 . . . A 557 THR N . 11426 1 1066 . 1 1 91 91 VAL H H 1 8.508 0.003 . 1 . . . A 558 VAL H . 11426 1 1067 . 1 1 91 91 VAL HA H 1 4.123 0.007 . 1 . . . A 558 VAL HA . 11426 1 1068 . 1 1 91 91 VAL HB H 1 2.016 0.004 . 1 . . . A 558 VAL HB . 11426 1 1069 . 1 1 91 91 VAL HG11 H 1 0.908 0.010 . 1 . . . A 558 VAL HG11 . 11426 1 1070 . 1 1 91 91 VAL HG12 H 1 0.908 0.010 . 1 . . . A 558 VAL HG12 . 11426 1 1071 . 1 1 91 91 VAL HG13 H 1 0.908 0.010 . 1 . . . A 558 VAL HG13 . 11426 1 1072 . 1 1 91 91 VAL HG21 H 1 0.834 0.010 . 1 . . . A 558 VAL HG21 . 11426 1 1073 . 1 1 91 91 VAL HG22 H 1 0.834 0.010 . 1 . . . A 558 VAL HG22 . 11426 1 1074 . 1 1 91 91 VAL HG23 H 1 0.834 0.010 . 1 . . . A 558 VAL HG23 . 11426 1 1075 . 1 1 91 91 VAL C C 13 175.310 0.002 . 1 . . . A 558 VAL C . 11426 1 1076 . 1 1 91 91 VAL CA C 13 62.217 0.057 . 1 . . . A 558 VAL CA . 11426 1 1077 . 1 1 91 91 VAL CB C 13 33.089 0.051 . 1 . . . A 558 VAL CB . 11426 1 1078 . 1 1 91 91 VAL CG1 C 13 21.562 0.033 . 1 . . . A 558 VAL CG1 . 11426 1 1079 . 1 1 91 91 VAL CG2 C 13 20.643 0.094 . 1 . . . A 558 VAL CG2 . 11426 1 1080 . 1 1 91 91 VAL N N 15 127.231 0.032 . 1 . . . A 558 VAL N . 11426 1 1081 . 1 1 92 92 GLY H H 1 8.198 0.002 . 1 . . . A 559 GLY H . 11426 1 1082 . 1 1 92 92 GLY HA2 H 1 3.762 0.010 . 2 . . . A 559 GLY HA2 . 11426 1 1083 . 1 1 92 92 GLY HA3 H 1 3.833 0.008 . 2 . . . A 559 GLY HA3 . 11426 1 1084 . 1 1 92 92 GLY C C 13 178.621 0.000 . 1 . . . A 559 GLY C . 11426 1 1085 . 1 1 92 92 GLY CA C 13 46.156 0.041 . 1 . . . A 559 GLY CA . 11426 1 1086 . 1 1 92 92 GLY N N 15 120.687 0.017 . 1 . . . A 559 GLY N . 11426 1 stop_ save_