data_30010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30010 _Entry.Title ; Amphiphysin SH3 in complex with Chikungunya virus nsP3 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-04 _Entry.Accession_date 2016-02-04 _Entry.Last_release_date 2016-06-13 _Entry.Original_release_date 2016-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 H. Tossavainen H. . . . 30010 2 O. Aitio O. . . . 30010 3 M. Hellman M. . . . 30010 4 K. Saksela K. . . . 30010 5 P. Permi P. . . . 30010 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3 domain' . 30010 Transcription . 30010 'function: protein binding Chikungunya virus nsP3 peptide' . 30010 'function: viral replication' . 30010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 30010 '15N chemical shifts' 105 30010 '1H chemical shifts' 704 30010 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-11-21 2016-02-23 update BMRB 'update entry citation' 30010 1 . . 2016-06-13 2016-02-23 original author 'original release' 30010 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5I22 'BMRB Entry Tracking System' 30010 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27268056 _Citation.Full_citation . _Citation.Title ; Structural Basis of the High Affinity Interaction between the Alphavirus Nonstructural Protein-3 (nsP3) and the SH3 Domain of Amphiphysin-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 16307 _Citation.Page_last 16317 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Tossavainen H. . . . 30010 1 2 O. Aitio O. . . . 30010 1 3 M. Hellman M. . . . 30010 1 4 K. Saksela K. . . . 30010 1 5 P. Permi P. . . . 30010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30010 _Assembly.ID 1 _Assembly.Name 'Myc box-dependent-interacting protein 1, CHIKV nsP3 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30010 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GRLDLPPGFMFKVQAQHDYT ATDTDELQLKAGDVVLVIPF QNPEEQDEGWLMGVKESDWN QHKELEKCRGVFPENFTERV P ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'SH3 fragment, UNP residue 513-593' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9356.412 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Amphiphysin II' na 30010 1 'Amphiphysin-like protein' na 30010 1 'Box-dependent myc-interacting protein 1' na 30010 1 'Bridging integrator 1' na 30010 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 1 513 GLY . 30010 1 2 514 ARG . 30010 1 3 515 LEU . 30010 1 4 516 ASP . 30010 1 5 517 LEU . 30010 1 6 518 PRO . 30010 1 7 519 PRO . 30010 1 8 520 GLY . 30010 1 9 521 PHE . 30010 1 10 522 MET . 30010 1 11 523 PHE . 30010 1 12 524 LYS . 30010 1 13 525 VAL . 30010 1 14 526 GLN . 30010 1 15 527 ALA . 30010 1 16 528 GLN . 30010 1 17 529 HIS . 30010 1 18 530 ASP . 30010 1 19 531 TYR . 30010 1 20 532 THR . 30010 1 21 533 ALA . 30010 1 22 534 THR . 30010 1 23 535 ASP . 30010 1 24 536 THR . 30010 1 25 537 ASP . 30010 1 26 538 GLU . 30010 1 27 539 LEU . 30010 1 28 540 GLN . 30010 1 29 541 LEU . 30010 1 30 542 LYS . 30010 1 31 543 ALA . 30010 1 32 544 GLY . 30010 1 33 545 ASP . 30010 1 34 546 VAL . 30010 1 35 547 VAL . 30010 1 36 548 LEU . 30010 1 37 549 VAL . 30010 1 38 550 ILE . 30010 1 39 551 PRO . 30010 1 40 552 PHE . 30010 1 41 553 GLN . 30010 1 42 554 ASN . 30010 1 43 555 PRO . 30010 1 44 556 GLU . 30010 1 45 557 GLU . 30010 1 46 558 GLN . 30010 1 47 559 ASP . 30010 1 48 560 GLU . 30010 1 49 561 GLY . 30010 1 50 562 TRP . 30010 1 51 563 LEU . 30010 1 52 564 MET . 30010 1 53 565 GLY . 30010 1 54 566 VAL . 30010 1 55 567 LYS . 30010 1 56 568 GLU . 30010 1 57 569 SER . 30010 1 58 570 ASP . 30010 1 59 571 TRP . 30010 1 60 572 ASN . 30010 1 61 573 GLN . 30010 1 62 574 HIS . 30010 1 63 575 LYS . 30010 1 64 576 GLU . 30010 1 65 577 LEU . 30010 1 66 578 GLU . 30010 1 67 579 LYS . 30010 1 68 580 CYS . 30010 1 69 581 ARG . 30010 1 70 582 GLY . 30010 1 71 583 VAL . 30010 1 72 584 PHE . 30010 1 73 585 PRO . 30010 1 74 586 GLU . 30010 1 75 587 ASN . 30010 1 76 588 PHE . 30010 1 77 589 THR . 30010 1 78 590 GLU . 30010 1 79 591 ARG . 30010 1 80 592 VAL . 30010 1 81 593 PRO . 30010 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30010 1 . ARG 2 2 30010 1 . LEU 3 3 30010 1 . ASP 4 4 30010 1 . LEU 5 5 30010 1 . PRO 6 6 30010 1 . PRO 7 7 30010 1 . GLY 8 8 30010 1 . PHE 9 9 30010 1 . MET 10 10 30010 1 . PHE 11 11 30010 1 . LYS 12 12 30010 1 . VAL 13 13 30010 1 . GLN 14 14 30010 1 . ALA 15 15 30010 1 . GLN 16 16 30010 1 . HIS 17 17 30010 1 . ASP 18 18 30010 1 . TYR 19 19 30010 1 . THR 20 20 30010 1 . ALA 21 21 30010 1 . THR 22 22 30010 1 . ASP 23 23 30010 1 . THR 24 24 30010 1 . ASP 25 25 30010 1 . GLU 26 26 30010 1 . LEU 27 27 30010 1 . GLN 28 28 30010 1 . LEU 29 29 30010 1 . LYS 30 30 30010 1 . ALA 31 31 30010 1 . GLY 32 32 30010 1 . ASP 33 33 30010 1 . VAL 34 34 30010 1 . VAL 35 35 30010 1 . LEU 36 36 30010 1 . VAL 37 37 30010 1 . ILE 38 38 30010 1 . PRO 39 39 30010 1 . PHE 40 40 30010 1 . GLN 41 41 30010 1 . ASN 42 42 30010 1 . PRO 43 43 30010 1 . GLU 44 44 30010 1 . GLU 45 45 30010 1 . GLN 46 46 30010 1 . ASP 47 47 30010 1 . GLU 48 48 30010 1 . GLY 49 49 30010 1 . TRP 50 50 30010 1 . LEU 51 51 30010 1 . MET 52 52 30010 1 . GLY 53 53 30010 1 . VAL 54 54 30010 1 . LYS 55 55 30010 1 . GLU 56 56 30010 1 . SER 57 57 30010 1 . ASP 58 58 30010 1 . TRP 59 59 30010 1 . ASN 60 60 30010 1 . GLN 61 61 30010 1 . HIS 62 62 30010 1 . LYS 63 63 30010 1 . GLU 64 64 30010 1 . LEU 65 65 30010 1 . GLU 66 66 30010 1 . LYS 67 67 30010 1 . CYS 68 68 30010 1 . ARG 69 69 30010 1 . GLY 70 70 30010 1 . VAL 71 71 30010 1 . PHE 72 72 30010 1 . PRO 73 73 30010 1 . GLU 74 74 30010 1 . ASN 75 75 30010 1 . PHE 76 76 30010 1 . THR 77 77 30010 1 . GLU 78 78 30010 1 . ARG 79 79 30010 1 . VAL 80 80 30010 1 . PRO 81 81 30010 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30010 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STVPVAPPRRRRGRNLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1938.266 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1728 SER . 30010 2 2 1729 THR . 30010 2 3 1730 VAL . 30010 2 4 1731 PRO . 30010 2 5 1732 VAL . 30010 2 6 1733 ALA . 30010 2 7 1734 PRO . 30010 2 8 1735 PRO . 30010 2 9 1736 ARG . 30010 2 10 1737 ARG . 30010 2 11 1738 ARG . 30010 2 12 1739 ARG . 30010 2 13 1740 GLY . 30010 2 14 1741 ARG . 30010 2 15 1742 ASN . 30010 2 16 1743 LEU . 30010 2 17 1744 THR . 30010 2 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 . SER 1 1 30010 2 . THR 2 2 30010 2 . VAL 3 3 30010 2 . PRO 4 4 30010 2 . VAL 5 5 30010 2 . ALA 6 6 30010 2 . PRO 7 7 30010 2 . PRO 8 8 30010 2 . ARG 9 9 30010 2 . ARG 10 10 30010 2 . ARG 11 11 30010 2 . ARG 12 12 30010 2 . GLY 13 13 30010 2 . ARG 14 14 30010 2 . ASN 15 15 30010 2 . LEU 16 16 30010 2 . THR 17 17 30010 2 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 30010 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BIN1, AMPHL' . 30010 1 2 2 $entity_2 . 37124 organism . 'Chikungunya virus' 'Chikungunya virus' . . Viruses . Chikungunya virus . . . . . . . . . . . . . 30010 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 30010 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30010 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] amphiphysin 2 SH3, 0.5 mM [U-13C; U-15N] CHIKV nsP3 peptide, 90% H2O/10% D2O' _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 'CHIKV nsP3 peptide' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 30010 1 2 'amphiphysin 2 SH3' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30010 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 30010 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 30010 1 pressure 1 . atm 30010 1 temperature 298 . K 30010 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30010 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30010 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30010 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30010 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30010 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30010 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30010 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30010 3 'peak picking' 30010 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30010 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30010 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30010 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30010 _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 NMR_spectrometer_1 Varian INOVA . 800 . . . 30010 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 30010 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 5 '3D C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 9 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30010 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30010 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 30010 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 30010 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 30010 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30010 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30010 1 2 '3D HNCACB' . . . 30010 1 3 '3D CBCA(CO)NH' . . . 30010 1 4 '3D H(CCO)NH' . . . 30010 1 5 '3D C(CCO)NH' . . . 30010 1 6 '3D HCCH-COSY' . . . 30010 1 7 '3D 1H-15N NOESY' . . . 30010 1 8 '3D 1H-13C NOESY' . . . 30010 1 9 '2D (HB)CB(CGCDCE)HE' . . . 30010 1 10 '2D (HB)CB(CGCD)HD' . . . 30010 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30010 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 44.483 0.024 . . . . . . 513 GLY CA . 30010 1 2 . 1 1 1 1 GLY HA2 H 1 3.738 0.001 . . . . . . 513 GLY QA . 30010 1 3 . 1 1 1 1 GLY HA3 H 1 3.738 0.001 . . . . . . 513 GLY QA . 30010 1 4 . 1 1 2 2 ARG CA C 13 57.404 0.013 . . . . . . 514 ARG CA . 30010 1 5 . 1 1 2 2 ARG CB C 13 33.165 0.060 . . . . . . 514 ARG CB . 30010 1 6 . 1 1 2 2 ARG CD C 13 45.517 0.053 . . . . . . 514 ARG CD . 30010 1 7 . 1 1 2 2 ARG CG C 13 26.499 0.062 . . . . . . 514 ARG CG . 30010 1 8 . 1 1 2 2 ARG HA H 1 4.381 0.004 . . . . . . 514 ARG HA . 30010 1 9 . 1 1 2 2 ARG HE H 1 7.509 0.005 . . . . . . 514 ARG HE . 30010 1 10 . 1 1 2 2 ARG HG2 H 1 1.670 0.001 . . . . . . 514 ARG HG2 . 30010 1 11 . 1 1 2 2 ARG HG3 H 1 1.579 0.009 . . . . . . 514 ARG HG3 . 30010 1 12 . 1 1 2 2 ARG NE N 15 84.570 0.836 . . . . . . 514 ARG NE . 30010 1 13 . 1 1 2 2 ARG HB2 H 1 1.795 0.003 . . . . . . 514 ARG QB . 30010 1 14 . 1 1 2 2 ARG HB3 H 1 1.795 0.003 . . . . . . 514 ARG QB . 30010 1 15 . 1 1 2 2 ARG HD2 H 1 3.604 0.000 . . . . . . 514 ARG QD . 30010 1 16 . 1 1 2 2 ARG HD3 H 1 3.604 0.000 . . . . . . 514 ARG QD . 30010 1 17 . 1 1 3 3 LEU CA C 13 57.082 0.089 . . . . . . 515 LEU CA . 30010 1 18 . 1 1 3 3 LEU CB C 13 43.877 0.017 . . . . . . 515 LEU CB . 30010 1 19 . 1 1 3 3 LEU CD1 C 13 25.932 0.028 . . . . . . 515 LEU CD1 . 30010 1 20 . 1 1 3 3 LEU CD2 C 13 24.199 0.063 . . . . . . 515 LEU CD2 . 30010 1 21 . 1 1 3 3 LEU CG C 13 28.056 0.029 . . . . . . 515 LEU CG . 30010 1 22 . 1 1 3 3 LEU H H 1 8.917 0.006 . . . . . . 515 LEU H . 30010 1 23 . 1 1 3 3 LEU HA H 1 4.317 0.014 . . . . . . 515 LEU HA . 30010 1 24 . 1 1 3 3 LEU HB2 H 1 1.714 0.008 . . . . . . 515 LEU HB2 . 30010 1 25 . 1 1 3 3 LEU HB3 H 1 1.628 0.020 . . . . . . 515 LEU HB3 . 30010 1 26 . 1 1 3 3 LEU HG H 1 1.730 0.018 . . . . . . 515 LEU HG . 30010 1 27 . 1 1 3 3 LEU N N 15 122.413 0.030 . . . . . . 515 LEU N . 30010 1 28 . 1 1 3 3 LEU HD11 H 1 0.932 0.016 . . . . . . 515 LEU QD1 . 30010 1 29 . 1 1 3 3 LEU HD12 H 1 0.932 0.016 . . . . . . 515 LEU QD1 . 30010 1 30 . 1 1 3 3 LEU HD13 H 1 0.932 0.016 . . . . . . 515 LEU QD1 . 30010 1 31 . 1 1 3 3 LEU HD21 H 1 0.861 0.012 . . . . . . 515 LEU QD2 . 30010 1 32 . 1 1 3 3 LEU HD22 H 1 0.861 0.012 . . . . . . 515 LEU QD2 . 30010 1 33 . 1 1 3 3 LEU HD23 H 1 0.861 0.012 . . . . . . 515 LEU QD2 . 30010 1 34 . 1 1 4 4 ASP CA C 13 53.801 0.012 . . . . . . 516 ASP CA . 30010 1 35 . 1 1 4 4 ASP CB C 13 41.401 0.030 . . . . . . 516 ASP CB . 30010 1 36 . 1 1 4 4 ASP H H 1 8.884 0.004 . . . . . . 516 ASP H . 30010 1 37 . 1 1 4 4 ASP HA H 1 4.659 0.003 . . . . . . 516 ASP HA . 30010 1 38 . 1 1 4 4 ASP HB2 H 1 2.765 0.007 . . . . . . 516 ASP HB2 . 30010 1 39 . 1 1 4 4 ASP HB3 H 1 2.717 0.005 . . . . . . 516 ASP HB3 . 30010 1 40 . 1 1 4 4 ASP N N 15 114.959 0.015 . . . . . . 516 ASP N . 30010 1 41 . 1 1 5 5 LEU CA C 13 53.435 0.064 . . . . . . 517 LEU CA . 30010 1 42 . 1 1 5 5 LEU CB C 13 43.076 0.009 . . . . . . 517 LEU CB . 30010 1 43 . 1 1 5 5 LEU CD1 C 13 25.525 0.025 . . . . . . 517 LEU CD1 . 30010 1 44 . 1 1 5 5 LEU CD2 C 13 23.173 0.016 . . . . . . 517 LEU CD2 . 30010 1 45 . 1 1 5 5 LEU CG C 13 27.887 0.023 . . . . . . 517 LEU CG . 30010 1 46 . 1 1 5 5 LEU H H 1 8.496 0.003 . . . . . . 517 LEU H . 30010 1 47 . 1 1 5 5 LEU HA H 1 4.409 0.012 . . . . . . 517 LEU HA . 30010 1 48 . 1 1 5 5 LEU HB2 H 1 1.375 0.006 . . . . . . 517 LEU HB2 . 30010 1 49 . 1 1 5 5 LEU HB3 H 1 0.722 0.004 . . . . . . 517 LEU HB3 . 30010 1 50 . 1 1 5 5 LEU HG H 1 1.367 0.015 . . . . . . 517 LEU HG . 30010 1 51 . 1 1 5 5 LEU N N 15 121.762 0.006 . . . . . . 517 LEU N . 30010 1 52 . 1 1 5 5 LEU HD11 H 1 0.300 0.006 . . . . . . 517 LEU QD1 . 30010 1 53 . 1 1 5 5 LEU HD12 H 1 0.300 0.006 . . . . . . 517 LEU QD1 . 30010 1 54 . 1 1 5 5 LEU HD13 H 1 0.300 0.006 . . . . . . 517 LEU QD1 . 30010 1 55 . 1 1 5 5 LEU HD21 H 1 0.207 0.004 . . . . . . 517 LEU QD2 . 30010 1 56 . 1 1 5 5 LEU HD22 H 1 0.207 0.004 . . . . . . 517 LEU QD2 . 30010 1 57 . 1 1 5 5 LEU HD23 H 1 0.207 0.004 . . . . . . 517 LEU QD2 . 30010 1 58 . 1 1 6 6 PRO CA C 13 62.444 0.059 . . . . . . 518 PRO CA . 30010 1 59 . 1 1 6 6 PRO CB C 13 30.698 0.084 . . . . . . 518 PRO CB . 30010 1 60 . 1 1 6 6 PRO CD C 13 50.035 0.036 . . . . . . 518 PRO CD . 30010 1 61 . 1 1 6 6 PRO CG C 13 27.484 0.017 . . . . . . 518 PRO CG . 30010 1 62 . 1 1 6 6 PRO HA H 1 4.062 0.013 . . . . . . 518 PRO HA . 30010 1 63 . 1 1 6 6 PRO HB3 H 1 1.186 0.004 . . . . . . 518 PRO HB3 . 30010 1 64 . 1 1 6 6 PRO HB2 H 1 0.960 0.014 . . . . . . 518 PRO HB2 . 30010 1 65 . 1 1 6 6 PRO HD2 H 1 2.741 0.013 . . . . . . 518 PRO HD2 . 30010 1 66 . 1 1 6 6 PRO HD3 H 1 1.806 0.006 . . . . . . 518 PRO HD3 . 30010 1 67 . 1 1 6 6 PRO HG2 H 1 1.126 0.010 . . . . . . 518 PRO HG2 . 30010 1 68 . 1 1 6 6 PRO HG3 H 1 0.258 0.014 . . . . . . 518 PRO HG3 . 30010 1 69 . 1 1 7 7 PRO CA C 13 64.535 0.042 . . . . . . 519 PRO CA . 30010 1 70 . 1 1 7 7 PRO CB C 13 32.241 0.024 . . . . . . 519 PRO CB . 30010 1 71 . 1 1 7 7 PRO CD C 13 51.792 0.007 . . . . . . 519 PRO CD . 30010 1 72 . 1 1 7 7 PRO CG C 13 28.807 0.032 . . . . . . 519 PRO CG . 30010 1 73 . 1 1 7 7 PRO HA H 1 4.285 0.007 . . . . . . 519 PRO HA . 30010 1 74 . 1 1 7 7 PRO HB2 H 1 2.281 0.005 . . . . . . 519 PRO HB2 . 30010 1 75 . 1 1 7 7 PRO HB3 H 1 1.837 0.007 . . . . . . 519 PRO HB3 . 30010 1 76 . 1 1 7 7 PRO HD3 H 1 3.884 0.001 . . . . . . 519 PRO HD3 . 30010 1 77 . 1 1 7 7 PRO HD2 H 1 3.356 0.007 . . . . . . 519 PRO HD2 . 30010 1 78 . 1 1 7 7 PRO HG3 H 1 2.125 0.003 . . . . . . 519 PRO HG3 . 30010 1 79 . 1 1 7 7 PRO HG2 H 1 2.057 0.010 . . . . . . 519 PRO HG2 . 30010 1 80 . 1 1 8 8 GLY CA C 13 46.305 0.012 . . . . . . 520 GLY CA . 30010 1 81 . 1 1 8 8 GLY H H 1 8.754 0.004 . . . . . . 520 GLY H . 30010 1 82 . 1 1 8 8 GLY HA2 H 1 3.791 0.007 . . . . . . 520 GLY HA2 . 30010 1 83 . 1 1 8 8 GLY HA3 H 1 3.581 0.006 . . . . . . 520 GLY HA3 . 30010 1 84 . 1 1 8 8 GLY N N 15 109.518 0.024 . . . . . . 520 GLY N . 30010 1 85 . 1 1 9 9 PHE CA C 13 60.293 0.022 . . . . . . 521 PHE CA . 30010 1 86 . 1 1 9 9 PHE CB C 13 41.141 0.026 . . . . . . 521 PHE CB . 30010 1 87 . 1 1 9 9 PHE CD1 C 13 132.466 0.029 . . . . . . 521 PHE CD1 . 30010 1 88 . 1 1 9 9 PHE CE1 C 13 132.321 0.037 . . . . . . 521 PHE CE1 . 30010 1 89 . 1 1 9 9 PHE CZ C 13 129.502 0.035 . . . . . . 521 PHE CZ . 30010 1 90 . 1 1 9 9 PHE H H 1 7.572 0.003 . . . . . . 521 PHE H . 30010 1 91 . 1 1 9 9 PHE HA H 1 3.946 0.002 . . . . . . 521 PHE HA . 30010 1 92 . 1 1 9 9 PHE HB2 H 1 3.144 0.005 . . . . . . 521 PHE HB2 . 30010 1 93 . 1 1 9 9 PHE HB3 H 1 2.637 0.009 . . . . . . 521 PHE HB3 . 30010 1 94 . 1 1 9 9 PHE HZ H 1 7.203 0.003 . . . . . . 521 PHE HZ . 30010 1 95 . 1 1 9 9 PHE N N 15 116.479 0.014 . . . . . . 521 PHE N . 30010 1 96 . 1 1 9 9 PHE HD1 H 1 6.855 0.003 . . . . . . 521 PHE QD . 30010 1 97 . 1 1 9 9 PHE HD2 H 1 6.855 0.003 . . . . . . 521 PHE QD . 30010 1 98 . 1 1 9 9 PHE HE1 H 1 7.096 0.005 . . . . . . 521 PHE QE . 30010 1 99 . 1 1 9 9 PHE HE2 H 1 7.096 0.005 . . . . . . 521 PHE QE . 30010 1 100 . 1 1 10 10 MET CA C 13 58.200 0.027 . . . . . . 522 MET CA . 30010 1 101 . 1 1 10 10 MET CB C 13 37.024 0.013 . . . . . . 522 MET CB . 30010 1 102 . 1 1 10 10 MET CE C 13 17.198 0.020 . . . . . . 522 MET CE . 30010 1 103 . 1 1 10 10 MET CG C 13 31.773 0.020 . . . . . . 522 MET CG . 30010 1 104 . 1 1 10 10 MET H H 1 8.206 0.004 . . . . . . 522 MET H . 30010 1 105 . 1 1 10 10 MET HA H 1 4.026 0.004 . . . . . . 522 MET HA . 30010 1 106 . 1 1 10 10 MET HB3 H 1 1.945 0.004 . . . . . . 522 MET HB3 . 30010 1 107 . 1 1 10 10 MET HB2 H 1 0.792 0.004 . . . . . . 522 MET HB2 . 30010 1 108 . 1 1 10 10 MET HG2 H 1 2.428 0.019 . . . . . . 522 MET HG2 . 30010 1 109 . 1 1 10 10 MET HG3 H 1 2.342 0.002 . . . . . . 522 MET HG3 . 30010 1 110 . 1 1 10 10 MET N N 15 125.696 0.023 . . . . . . 522 MET N . 30010 1 111 . 1 1 10 10 MET HE1 H 1 1.887 0.000 . . . . . . 522 MET QE . 30010 1 112 . 1 1 10 10 MET HE2 H 1 1.887 0.000 . . . . . . 522 MET QE . 30010 1 113 . 1 1 10 10 MET HE3 H 1 1.887 0.000 . . . . . . 522 MET QE . 30010 1 114 . 1 1 11 11 PHE CA C 13 57.516 0.054 . . . . . . 523 PHE CA . 30010 1 115 . 1 1 11 11 PHE CB C 13 39.209 0.020 . . . . . . 523 PHE CB . 30010 1 116 . 1 1 11 11 PHE CD1 C 13 133.014 0.009 . . . . . . 523 PHE CD1 . 30010 1 117 . 1 1 11 11 PHE CE1 C 13 131.779 0.088 . . . . . . 523 PHE CE1 . 30010 1 118 . 1 1 11 11 PHE CZ C 13 131.225 0.003 . . . . . . 523 PHE CZ . 30010 1 119 . 1 1 11 11 PHE H H 1 5.935 0.007 . . . . . . 523 PHE H . 30010 1 120 . 1 1 11 11 PHE HA H 1 4.214 0.002 . . . . . . 523 PHE HA . 30010 1 121 . 1 1 11 11 PHE HB2 H 1 3.450 0.005 . . . . . . 523 PHE HB2 . 30010 1 122 . 1 1 11 11 PHE HB3 H 1 3.215 0.005 . . . . . . 523 PHE HB3 . 30010 1 123 . 1 1 11 11 PHE HZ H 1 6.887 0.002 . . . . . . 523 PHE HZ . 30010 1 124 . 1 1 11 11 PHE N N 15 109.161 0.016 . . . . . . 523 PHE N . 30010 1 125 . 1 1 11 11 PHE HD1 H 1 6.809 0.003 . . . . . . 523 PHE QD . 30010 1 126 . 1 1 11 11 PHE HD2 H 1 6.809 0.003 . . . . . . 523 PHE QD . 30010 1 127 . 1 1 11 11 PHE HE1 H 1 7.119 0.009 . . . . . . 523 PHE QE . 30010 1 128 . 1 1 11 11 PHE HE2 H 1 7.119 0.009 . . . . . . 523 PHE QE . 30010 1 129 . 1 1 12 12 LYS CA C 13 56.472 0.017 . . . . . . 524 LYS CA . 30010 1 130 . 1 1 12 12 LYS CB C 13 36.779 0.039 . . . . . . 524 LYS CB . 30010 1 131 . 1 1 12 12 LYS CD C 13 30.980 0.100 . . . . . . 524 LYS CD . 30010 1 132 . 1 1 12 12 LYS CE C 13 42.881 0.015 . . . . . . 524 LYS CE . 30010 1 133 . 1 1 12 12 LYS CG C 13 27.339 0.025 . . . . . . 524 LYS CG . 30010 1 134 . 1 1 12 12 LYS H H 1 9.298 0.004 . . . . . . 524 LYS H . 30010 1 135 . 1 1 12 12 LYS HA H 1 5.575 0.002 . . . . . . 524 LYS HA . 30010 1 136 . 1 1 12 12 LYS HB2 H 1 2.045 0.007 . . . . . . 524 LYS HB2 . 30010 1 137 . 1 1 12 12 LYS HB3 H 1 1.742 0.003 . . . . . . 524 LYS HB3 . 30010 1 138 . 1 1 12 12 LYS HD2 H 1 1.683 0.000 . . . . . . 524 LYS HD2 . 30010 1 139 . 1 1 12 12 LYS HD3 H 1 1.601 0.011 . . . . . . 524 LYS HD3 . 30010 1 140 . 1 1 12 12 LYS HE3 H 1 2.888 0.008 . . . . . . 524 LYS HE3 . 30010 1 141 . 1 1 12 12 LYS HE2 H 1 2.665 0.011 . . . . . . 524 LYS HE2 . 30010 1 142 . 1 1 12 12 LYS HG3 H 1 1.788 0.004 . . . . . . 524 LYS HG3 . 30010 1 143 . 1 1 12 12 LYS HG2 H 1 1.454 0.007 . . . . . . 524 LYS HG2 . 30010 1 144 . 1 1 12 12 LYS N N 15 116.620 0.024 . . . . . . 524 LYS N . 30010 1 145 . 1 1 13 13 VAL CA C 13 59.588 0.045 . . . . . . 525 VAL CA . 30010 1 146 . 1 1 13 13 VAL CB C 13 37.084 0.037 . . . . . . 525 VAL CB . 30010 1 147 . 1 1 13 13 VAL CG1 C 13 23.635 0.036 . . . . . . 525 VAL CG1 . 30010 1 148 . 1 1 13 13 VAL CG2 C 13 20.845 0.001 . . . . . . 525 VAL CG2 . 30010 1 149 . 1 1 13 13 VAL H H 1 8.966 0.003 . . . . . . 525 VAL H . 30010 1 150 . 1 1 13 13 VAL HA H 1 5.334 0.001 . . . . . . 525 VAL HA . 30010 1 151 . 1 1 13 13 VAL HB H 1 2.006 0.009 . . . . . . 525 VAL HB . 30010 1 152 . 1 1 13 13 VAL N N 15 110.045 0.041 . . . . . . 525 VAL N . 30010 1 153 . 1 1 13 13 VAL HG11 H 1 1.104 0.005 . . . . . . 525 VAL QG1 . 30010 1 154 . 1 1 13 13 VAL HG12 H 1 1.104 0.005 . . . . . . 525 VAL QG1 . 30010 1 155 . 1 1 13 13 VAL HG13 H 1 1.104 0.005 . . . . . . 525 VAL QG1 . 30010 1 156 . 1 1 13 13 VAL HG21 H 1 0.693 0.001 . . . . . . 525 VAL QG2 . 30010 1 157 . 1 1 13 13 VAL HG22 H 1 0.693 0.001 . . . . . . 525 VAL QG2 . 30010 1 158 . 1 1 13 13 VAL HG23 H 1 0.693 0.001 . . . . . . 525 VAL QG2 . 30010 1 159 . 1 1 14 14 GLN CA C 13 54.295 0.029 . . . . . . 526 GLN CA . 30010 1 160 . 1 1 14 14 GLN CB C 13 33.509 0.039 . . . . . . 526 GLN CB . 30010 1 161 . 1 1 14 14 GLN CG C 13 34.337 0.039 . . . . . . 526 GLN CG . 30010 1 162 . 1 1 14 14 GLN H H 1 9.396 0.004 . . . . . . 526 GLN H . 30010 1 163 . 1 1 14 14 GLN HA H 1 5.414 0.006 . . . . . . 526 GLN HA . 30010 1 164 . 1 1 14 14 GLN HB2 H 1 1.906 0.008 . . . . . . 526 GLN HB2 . 30010 1 165 . 1 1 14 14 GLN HB3 H 1 1.692 0.004 . . . . . . 526 GLN HB3 . 30010 1 166 . 1 1 14 14 GLN HE21 H 1 7.636 0.001 . . . . . . 526 GLN HE21 . 30010 1 167 . 1 1 14 14 GLN HE22 H 1 6.826 0.005 . . . . . . 526 GLN HE22 . 30010 1 168 . 1 1 14 14 GLN N N 15 117.783 0.011 . . . . . . 526 GLN N . 30010 1 169 . 1 1 14 14 GLN NE2 N 15 110.206 0.007 . . . . . . 526 GLN NE2 . 30010 1 170 . 1 1 14 14 GLN HG2 H 1 1.975 0.007 . . . . . . 526 GLN QG . 30010 1 171 . 1 1 14 14 GLN HG3 H 1 1.975 0.007 . . . . . . 526 GLN QG . 30010 1 172 . 1 1 15 15 ALA CA C 13 54.188 0.025 . . . . . . 527 ALA CA . 30010 1 173 . 1 1 15 15 ALA CB C 13 19.401 0.046 . . . . . . 527 ALA CB . 30010 1 174 . 1 1 15 15 ALA H H 1 9.500 0.003 . . . . . . 527 ALA H . 30010 1 175 . 1 1 15 15 ALA HA H 1 4.405 0.003 . . . . . . 527 ALA HA . 30010 1 176 . 1 1 15 15 ALA N N 15 128.760 0.014 . . . . . . 527 ALA N . 30010 1 177 . 1 1 15 15 ALA HB1 H 1 1.550 0.006 . . . . . . 527 ALA QB . 30010 1 178 . 1 1 15 15 ALA HB2 H 1 1.550 0.006 . . . . . . 527 ALA QB . 30010 1 179 . 1 1 15 15 ALA HB3 H 1 1.550 0.006 . . . . . . 527 ALA QB . 30010 1 180 . 1 1 16 16 GLN CA C 13 55.998 0.021 . . . . . . 528 GLN CA . 30010 1 181 . 1 1 16 16 GLN CB C 13 31.520 0.057 . . . . . . 528 GLN CB . 30010 1 182 . 1 1 16 16 GLN CG C 13 35.424 0.078 . . . . . . 528 GLN CG . 30010 1 183 . 1 1 16 16 GLN H H 1 9.799 0.003 . . . . . . 528 GLN H . 30010 1 184 . 1 1 16 16 GLN HA H 1 4.250 0.006 . . . . . . 528 GLN HA . 30010 1 185 . 1 1 16 16 GLN HB3 H 1 1.898 0.002 . . . . . . 528 GLN HB3 . 30010 1 186 . 1 1 16 16 GLN HB2 H 1 1.729 0.005 . . . . . . 528 GLN HB2 . 30010 1 187 . 1 1 16 16 GLN HE22 H 1 7.023 0.002 . . . . . . 528 GLN HE22 . 30010 1 188 . 1 1 16 16 GLN HE21 H 1 6.883 0.001 . . . . . . 528 GLN HE21 . 30010 1 189 . 1 1 16 16 GLN HG3 H 1 2.327 0.007 . . . . . . 528 GLN HG3 . 30010 1 190 . 1 1 16 16 GLN HG2 H 1 2.151 0.010 . . . . . . 528 GLN HG2 . 30010 1 191 . 1 1 16 16 GLN N N 15 122.690 0.032 . . . . . . 528 GLN N . 30010 1 192 . 1 1 16 16 GLN NE2 N 15 112.189 0.007 . . . . . . 528 GLN NE2 . 30010 1 193 . 1 1 17 17 HIS CA C 13 54.961 0.015 . . . . . . 529 HIS CA . 30010 1 194 . 1 1 17 17 HIS CB C 13 36.816 0.068 . . . . . . 529 HIS CB . 30010 1 195 . 1 1 17 17 HIS CD2 C 13 120.717 0.058 . . . . . . 529 HIS CD2 . 30010 1 196 . 1 1 17 17 HIS CE1 C 13 139.391 0.042 . . . . . . 529 HIS CE1 . 30010 1 197 . 1 1 17 17 HIS H H 1 7.492 0.003 . . . . . . 529 HIS H . 30010 1 198 . 1 1 17 17 HIS HA H 1 4.613 0.008 . . . . . . 529 HIS HA . 30010 1 199 . 1 1 17 17 HIS HB3 H 1 3.207 0.004 . . . . . . 529 HIS HB3 . 30010 1 200 . 1 1 17 17 HIS HB2 H 1 2.575 0.007 . . . . . . 529 HIS HB2 . 30010 1 201 . 1 1 17 17 HIS HD2 H 1 6.687 0.006 . . . . . . 529 HIS HD2 . 30010 1 202 . 1 1 17 17 HIS HE1 H 1 7.730 0.009 . . . . . . 529 HIS HE1 . 30010 1 203 . 1 1 17 17 HIS N N 15 113.656 0.031 . . . . . . 529 HIS N . 30010 1 204 . 1 1 18 18 ASP CA C 13 55.641 0.022 . . . . . . 530 ASP CA . 30010 1 205 . 1 1 18 18 ASP CB C 13 41.844 0.018 . . . . . . 530 ASP CB . 30010 1 206 . 1 1 18 18 ASP H H 1 8.638 0.002 . . . . . . 530 ASP H . 30010 1 207 . 1 1 18 18 ASP HA H 1 4.485 0.009 . . . . . . 530 ASP HA . 30010 1 208 . 1 1 18 18 ASP HB2 H 1 2.811 0.001 . . . . . . 530 ASP HB2 . 30010 1 209 . 1 1 18 18 ASP HB3 H 1 2.659 0.006 . . . . . . 530 ASP HB3 . 30010 1 210 . 1 1 18 18 ASP N N 15 118.031 0.024 . . . . . . 530 ASP N . 30010 1 211 . 1 1 19 19 TYR CA C 13 59.689 0.020 . . . . . . 531 TYR CA . 30010 1 212 . 1 1 19 19 TYR CB C 13 42.567 0.059 . . . . . . 531 TYR CB . 30010 1 213 . 1 1 19 19 TYR CD1 C 13 133.818 0.033 . . . . . . 531 TYR CD1 . 30010 1 214 . 1 1 19 19 TYR CE1 C 13 118.391 0.041 . . . . . . 531 TYR CE1 . 30010 1 215 . 1 1 19 19 TYR H H 1 9.066 0.006 . . . . . . 531 TYR H . 30010 1 216 . 1 1 19 19 TYR HA H 1 4.717 0.004 . . . . . . 531 TYR HA . 30010 1 217 . 1 1 19 19 TYR HB2 H 1 2.656 0.007 . . . . . . 531 TYR HB2 . 30010 1 218 . 1 1 19 19 TYR HB3 H 1 2.504 0.004 . . . . . . 531 TYR HB3 . 30010 1 219 . 1 1 19 19 TYR N N 15 119.646 0.033 . . . . . . 531 TYR N . 30010 1 220 . 1 1 19 19 TYR HD1 H 1 6.860 0.006 . . . . . . 531 TYR QD . 30010 1 221 . 1 1 19 19 TYR HD2 H 1 6.860 0.006 . . . . . . 531 TYR QD . 30010 1 222 . 1 1 19 19 TYR HE1 H 1 6.776 0.008 . . . . . . 531 TYR QE . 30010 1 223 . 1 1 19 19 TYR HE2 H 1 6.776 0.008 . . . . . . 531 TYR QE . 30010 1 224 . 1 1 20 20 THR CA C 13 62.418 0.022 . . . . . . 532 THR CA . 30010 1 225 . 1 1 20 20 THR CB C 13 70.135 0.027 . . . . . . 532 THR CB . 30010 1 226 . 1 1 20 20 THR CG2 C 13 22.529 0.058 . . . . . . 532 THR CG2 . 30010 1 227 . 1 1 20 20 THR H H 1 7.563 0.001 . . . . . . 532 THR H . 30010 1 228 . 1 1 20 20 THR HA H 1 4.099 0.001 . . . . . . 532 THR HA . 30010 1 229 . 1 1 20 20 THR HB H 1 3.718 0.005 . . . . . . 532 THR HB . 30010 1 230 . 1 1 20 20 THR N N 15 123.402 0.041 . . . . . . 532 THR N . 30010 1 231 . 1 1 20 20 THR HG21 H 1 1.098 0.007 . . . . . . 532 THR QG2 . 30010 1 232 . 1 1 20 20 THR HG22 H 1 1.098 0.007 . . . . . . 532 THR QG2 . 30010 1 233 . 1 1 20 20 THR HG23 H 1 1.098 0.007 . . . . . . 532 THR QG2 . 30010 1 234 . 1 1 21 21 ALA CA C 13 54.099 0.027 . . . . . . 533 ALA CA . 30010 1 235 . 1 1 21 21 ALA CB C 13 20.862 0.033 . . . . . . 533 ALA CB . 30010 1 236 . 1 1 21 21 ALA H H 1 7.701 0.002 . . . . . . 533 ALA H . 30010 1 237 . 1 1 21 21 ALA HA H 1 4.300 0.007 . . . . . . 533 ALA HA . 30010 1 238 . 1 1 21 21 ALA N N 15 126.470 0.023 . . . . . . 533 ALA N . 30010 1 239 . 1 1 21 21 ALA HB1 H 1 1.445 0.007 . . . . . . 533 ALA QB . 30010 1 240 . 1 1 21 21 ALA HB2 H 1 1.445 0.007 . . . . . . 533 ALA QB . 30010 1 241 . 1 1 21 21 ALA HB3 H 1 1.445 0.007 . . . . . . 533 ALA QB . 30010 1 242 . 1 1 22 22 THR CA C 13 62.691 0.052 . . . . . . 534 THR CA . 30010 1 243 . 1 1 22 22 THR CB C 13 71.348 0.025 . . . . . . 534 THR CB . 30010 1 244 . 1 1 22 22 THR CG2 C 13 22.832 0.059 . . . . . . 534 THR CG2 . 30010 1 245 . 1 1 22 22 THR H H 1 9.164 0.005 . . . . . . 534 THR H . 30010 1 246 . 1 1 22 22 THR HA H 1 4.402 0.001 . . . . . . 534 THR HA . 30010 1 247 . 1 1 22 22 THR HB H 1 4.378 0.000 . . . . . . 534 THR HB . 30010 1 248 . 1 1 22 22 THR N N 15 112.058 0.038 . . . . . . 534 THR N . 30010 1 249 . 1 1 22 22 THR HG21 H 1 1.257 0.005 . . . . . . 534 THR QG2 . 30010 1 250 . 1 1 22 22 THR HG22 H 1 1.257 0.005 . . . . . . 534 THR QG2 . 30010 1 251 . 1 1 22 22 THR HG23 H 1 1.257 0.005 . . . . . . 534 THR QG2 . 30010 1 252 . 1 1 23 23 ASP CA C 13 53.367 0.018 . . . . . . 535 ASP CA . 30010 1 253 . 1 1 23 23 ASP CB C 13 44.581 0.036 . . . . . . 535 ASP CB . 30010 1 254 . 1 1 23 23 ASP H H 1 7.545 0.003 . . . . . . 535 ASP H . 30010 1 255 . 1 1 23 23 ASP HA H 1 4.807 0.000 . . . . . . 535 ASP HA . 30010 1 256 . 1 1 23 23 ASP HB2 H 1 2.818 0.011 . . . . . . 535 ASP HB2 . 30010 1 257 . 1 1 23 23 ASP HB3 H 1 2.593 0.000 . . . . . . 535 ASP HB3 . 30010 1 258 . 1 1 23 23 ASP N N 15 117.222 0.010 . . . . . . 535 ASP N . 30010 1 259 . 1 1 24 24 THR CA C 13 64.983 0.017 . . . . . . 536 THR CA . 30010 1 260 . 1 1 24 24 THR CB C 13 69.835 0.027 . . . . . . 536 THR CB . 30010 1 261 . 1 1 24 24 THR CG2 C 13 23.177 0.056 . . . . . . 536 THR CG2 . 30010 1 262 . 1 1 24 24 THR H H 1 9.414 0.002 . . . . . . 536 THR H . 30010 1 263 . 1 1 24 24 THR HA H 1 4.176 0.004 . . . . . . 536 THR HA . 30010 1 264 . 1 1 24 24 THR HB H 1 4.446 0.011 . . . . . . 536 THR HB . 30010 1 265 . 1 1 24 24 THR N N 15 110.209 0.011 . . . . . . 536 THR N . 30010 1 266 . 1 1 24 24 THR HG21 H 1 1.324 0.011 . . . . . . 536 THR QG2 . 30010 1 267 . 1 1 24 24 THR HG22 H 1 1.324 0.011 . . . . . . 536 THR QG2 . 30010 1 268 . 1 1 24 24 THR HG23 H 1 1.324 0.011 . . . . . . 536 THR QG2 . 30010 1 269 . 1 1 25 25 ASP CA C 13 54.044 0.022 . . . . . . 537 ASP CA . 30010 1 270 . 1 1 25 25 ASP CB C 13 40.868 0.011 . . . . . . 537 ASP CB . 30010 1 271 . 1 1 25 25 ASP H H 1 8.411 0.003 . . . . . . 537 ASP H . 30010 1 272 . 1 1 25 25 ASP HA H 1 4.798 0.000 . . . . . . 537 ASP HA . 30010 1 273 . 1 1 25 25 ASP HB2 H 1 3.137 0.004 . . . . . . 537 ASP HB2 . 30010 1 274 . 1 1 25 25 ASP HB3 H 1 2.566 0.004 . . . . . . 537 ASP HB3 . 30010 1 275 . 1 1 25 25 ASP N N 15 117.450 0.037 . . . . . . 537 ASP N . 30010 1 276 . 1 1 26 26 GLU CA C 13 55.655 0.043 . . . . . . 538 GLU CA . 30010 1 277 . 1 1 26 26 GLU CB C 13 33.545 0.011 . . . . . . 538 GLU CB . 30010 1 278 . 1 1 26 26 GLU CG C 13 37.446 0.079 . . . . . . 538 GLU CG . 30010 1 279 . 1 1 26 26 GLU H H 1 7.319 0.003 . . . . . . 538 GLU H . 30010 1 280 . 1 1 26 26 GLU HA H 1 5.222 0.012 . . . . . . 538 GLU HA . 30010 1 281 . 1 1 26 26 GLU HB3 H 1 2.526 0.007 . . . . . . 538 GLU HB3 . 30010 1 282 . 1 1 26 26 GLU HB2 H 1 2.282 0.004 . . . . . . 538 GLU HB2 . 30010 1 283 . 1 1 26 26 GLU HG2 H 1 2.359 0.007 . . . . . . 538 GLU HG2 . 30010 1 284 . 1 1 26 26 GLU HG3 H 1 2.207 0.005 . . . . . . 538 GLU HG3 . 30010 1 285 . 1 1 26 26 GLU N N 15 116.850 0.036 . . . . . . 538 GLU N . 30010 1 286 . 1 1 27 27 LEU CA C 13 55.081 0.033 . . . . . . 539 LEU CA . 30010 1 287 . 1 1 27 27 LEU CB C 13 44.951 0.018 . . . . . . 539 LEU CB . 30010 1 288 . 1 1 27 27 LEU CD1 C 13 27.118 0.072 . . . . . . 539 LEU CD1 . 30010 1 289 . 1 1 27 27 LEU CD2 C 13 24.399 0.000 . . . . . . 539 LEU CD2 . 30010 1 290 . 1 1 27 27 LEU CG C 13 27.606 0.008 . . . . . . 539 LEU CG . 30010 1 291 . 1 1 27 27 LEU H H 1 8.874 0.003 . . . . . . 539 LEU H . 30010 1 292 . 1 1 27 27 LEU HA H 1 4.380 0.004 . . . . . . 539 LEU HA . 30010 1 293 . 1 1 27 27 LEU HB3 H 1 1.448 0.000 . . . . . . 539 LEU HB3 . 30010 1 294 . 1 1 27 27 LEU HB2 H 1 1.291 0.002 . . . . . . 539 LEU HB2 . 30010 1 295 . 1 1 27 27 LEU HG H 1 1.456 0.013 . . . . . . 539 LEU HG . 30010 1 296 . 1 1 27 27 LEU N N 15 119.795 0.026 . . . . . . 539 LEU N . 30010 1 297 . 1 1 27 27 LEU HD11 H 1 0.706 0.011 . . . . . . 539 LEU QD1 . 30010 1 298 . 1 1 27 27 LEU HD12 H 1 0.706 0.011 . . . . . . 539 LEU QD1 . 30010 1 299 . 1 1 27 27 LEU HD13 H 1 0.706 0.011 . . . . . . 539 LEU QD1 . 30010 1 300 . 1 1 27 27 LEU HD21 H 1 0.867 0.005 . . . . . . 539 LEU QD2 . 30010 1 301 . 1 1 27 27 LEU HD22 H 1 0.867 0.005 . . . . . . 539 LEU QD2 . 30010 1 302 . 1 1 27 27 LEU HD23 H 1 0.867 0.005 . . . . . . 539 LEU QD2 . 30010 1 303 . 1 1 28 28 GLN CA C 13 56.144 0.095 . . . . . . 540 GLN CA . 30010 1 304 . 1 1 28 28 GLN CB C 13 29.929 0.056 . . . . . . 540 GLN CB . 30010 1 305 . 1 1 28 28 GLN CG C 13 33.737 0.067 . . . . . . 540 GLN CG . 30010 1 306 . 1 1 28 28 GLN H H 1 7.916 0.002 . . . . . . 540 GLN H . 30010 1 307 . 1 1 28 28 GLN HA H 1 4.721 0.000 . . . . . . 540 GLN HA . 30010 1 308 . 1 1 28 28 GLN HE21 H 1 7.500 0.000 . . . . . . 540 GLN HE21 . 30010 1 309 . 1 1 28 28 GLN HE22 H 1 6.808 0.000 . . . . . . 540 GLN HE22 . 30010 1 310 . 1 1 28 28 GLN HG2 H 1 2.536 0.019 . . . . . . 540 GLN HG2 . 30010 1 311 . 1 1 28 28 GLN HG3 H 1 2.413 0.008 . . . . . . 540 GLN HG3 . 30010 1 312 . 1 1 28 28 GLN N N 15 117.999 0.015 . . . . . . 540 GLN N . 30010 1 313 . 1 1 28 28 GLN NE2 N 15 110.011 0.023 . . . . . . 540 GLN NE2 . 30010 1 314 . 1 1 28 28 GLN HB2 H 1 2.055 0.001 . . . . . . 540 GLN QB . 30010 1 315 . 1 1 28 28 GLN HB3 H 1 2.055 0.001 . . . . . . 540 GLN QB . 30010 1 316 . 1 1 29 29 LEU CA C 13 54.226 0.033 . . . . . . 541 LEU CA . 30010 1 317 . 1 1 29 29 LEU CB C 13 46.267 0.062 . . . . . . 541 LEU CB . 30010 1 318 . 1 1 29 29 LEU CD1 C 13 25.826 0.064 . . . . . . 541 LEU CD1 . 30010 1 319 . 1 1 29 29 LEU CD2 C 13 24.907 0.015 . . . . . . 541 LEU CD2 . 30010 1 320 . 1 1 29 29 LEU CG C 13 26.979 0.038 . . . . . . 541 LEU CG . 30010 1 321 . 1 1 29 29 LEU H H 1 9.095 0.002 . . . . . . 541 LEU H . 30010 1 322 . 1 1 29 29 LEU HA H 1 4.982 0.003 . . . . . . 541 LEU HA . 30010 1 323 . 1 1 29 29 LEU HB2 H 1 1.946 0.011 . . . . . . 541 LEU HB2 . 30010 1 324 . 1 1 29 29 LEU HB3 H 1 1.175 0.004 . . . . . . 541 LEU HB3 . 30010 1 325 . 1 1 29 29 LEU HG H 1 1.756 0.012 . . . . . . 541 LEU HG . 30010 1 326 . 1 1 29 29 LEU N N 15 122.523 0.024 . . . . . . 541 LEU N . 30010 1 327 . 1 1 29 29 LEU HD11 H 1 0.640 0.008 . . . . . . 541 LEU QD1 . 30010 1 328 . 1 1 29 29 LEU HD12 H 1 0.640 0.008 . . . . . . 541 LEU QD1 . 30010 1 329 . 1 1 29 29 LEU HD13 H 1 0.640 0.008 . . . . . . 541 LEU QD1 . 30010 1 330 . 1 1 29 29 LEU HD21 H 1 0.605 0.010 . . . . . . 541 LEU QD2 . 30010 1 331 . 1 1 29 29 LEU HD22 H 1 0.605 0.010 . . . . . . 541 LEU QD2 . 30010 1 332 . 1 1 29 29 LEU HD23 H 1 0.605 0.010 . . . . . . 541 LEU QD2 . 30010 1 333 . 1 1 30 30 LYS CA C 13 54.153 0.043 . . . . . . 542 LYS CA . 30010 1 334 . 1 1 30 30 LYS CB C 13 35.023 0.021 . . . . . . 542 LYS CB . 30010 1 335 . 1 1 30 30 LYS CD C 13 29.571 0.027 . . . . . . 542 LYS CD . 30010 1 336 . 1 1 30 30 LYS CE C 13 43.168 0.022 . . . . . . 542 LYS CE . 30010 1 337 . 1 1 30 30 LYS CG C 13 25.339 0.051 . . . . . . 542 LYS CG . 30010 1 338 . 1 1 30 30 LYS H H 1 9.153 0.004 . . . . . . 542 LYS H . 30010 1 339 . 1 1 30 30 LYS HA H 1 4.784 0.005 . . . . . . 542 LYS HA . 30010 1 340 . 1 1 30 30 LYS HB2 H 1 1.715 0.002 . . . . . . 542 LYS HB2 . 30010 1 341 . 1 1 30 30 LYS HB3 H 1 1.637 0.008 . . . . . . 542 LYS HB3 . 30010 1 342 . 1 1 30 30 LYS HE2 H 1 3.034 0.000 . . . . . . 542 LYS HE2 . 30010 1 343 . 1 1 30 30 LYS HE3 H 1 2.971 0.006 . . . . . . 542 LYS HE3 . 30010 1 344 . 1 1 30 30 LYS N N 15 124.327 0.038 . . . . . . 542 LYS N . 30010 1 345 . 1 1 30 30 LYS HD2 H 1 1.677 0.000 . . . . . . 542 LYS QD . 30010 1 346 . 1 1 30 30 LYS HD3 H 1 1.677 0.000 . . . . . . 542 LYS QD . 30010 1 347 . 1 1 30 30 LYS HG2 H 1 1.431 0.006 . . . . . . 542 LYS QG . 30010 1 348 . 1 1 30 30 LYS HG3 H 1 1.431 0.006 . . . . . . 542 LYS QG . 30010 1 349 . 1 1 31 31 ALA CA C 13 55.377 0.017 . . . . . . 543 ALA CA . 30010 1 350 . 1 1 31 31 ALA CB C 13 18.442 0.044 . . . . . . 543 ALA CB . 30010 1 351 . 1 1 31 31 ALA H H 1 8.996 0.005 . . . . . . 543 ALA H . 30010 1 352 . 1 1 31 31 ALA HA H 1 3.313 0.014 . . . . . . 543 ALA HA . 30010 1 353 . 1 1 31 31 ALA N N 15 123.485 0.019 . . . . . . 543 ALA N . 30010 1 354 . 1 1 31 31 ALA HB1 H 1 1.098 0.008 . . . . . . 543 ALA QB . 30010 1 355 . 1 1 31 31 ALA HB2 H 1 1.098 0.008 . . . . . . 543 ALA QB . 30010 1 356 . 1 1 31 31 ALA HB3 H 1 1.098 0.008 . . . . . . 543 ALA QB . 30010 1 357 . 1 1 32 32 GLY CA C 13 45.596 0.007 . . . . . . 544 GLY CA . 30010 1 358 . 1 1 32 32 GLY H H 1 8.802 0.004 . . . . . . 544 GLY H . 30010 1 359 . 1 1 32 32 GLY HA3 H 1 4.537 0.002 . . . . . . 544 GLY HA3 . 30010 1 360 . 1 1 32 32 GLY HA2 H 1 3.515 0.005 . . . . . . 544 GLY HA2 . 30010 1 361 . 1 1 32 32 GLY N N 15 111.162 0.018 . . . . . . 544 GLY N . 30010 1 362 . 1 1 33 33 ASP CA C 13 57.154 0.023 . . . . . . 545 ASP CA . 30010 1 363 . 1 1 33 33 ASP CB C 13 42.922 0.011 . . . . . . 545 ASP CB . 30010 1 364 . 1 1 33 33 ASP H H 1 8.809 0.005 . . . . . . 545 ASP H . 30010 1 365 . 1 1 33 33 ASP HA H 1 4.491 0.003 . . . . . . 545 ASP HA . 30010 1 366 . 1 1 33 33 ASP HB2 H 1 2.749 0.002 . . . . . . 545 ASP HB2 . 30010 1 367 . 1 1 33 33 ASP HB3 H 1 2.271 0.003 . . . . . . 545 ASP HB3 . 30010 1 368 . 1 1 33 33 ASP N N 15 121.203 0.015 . . . . . . 545 ASP N . 30010 1 369 . 1 1 34 34 VAL CA C 13 63.203 0.051 . . . . . . 546 VAL CA . 30010 1 370 . 1 1 34 34 VAL CB C 13 33.149 0.050 . . . . . . 546 VAL CB . 30010 1 371 . 1 1 34 34 VAL CG1 C 13 23.259 0.048 . . . . . . 546 VAL CG1 . 30010 1 372 . 1 1 34 34 VAL CG2 C 13 22.989 0.011 . . . . . . 546 VAL CG2 . 30010 1 373 . 1 1 34 34 VAL H H 1 8.588 0.003 . . . . . . 546 VAL H . 30010 1 374 . 1 1 34 34 VAL HA H 1 4.770 0.000 . . . . . . 546 VAL HA . 30010 1 375 . 1 1 34 34 VAL HB H 1 2.044 0.018 . . . . . . 546 VAL HB . 30010 1 376 . 1 1 34 34 VAL N N 15 121.806 0.033 . . . . . . 546 VAL N . 30010 1 377 . 1 1 34 34 VAL HG11 H 1 1.063 0.007 . . . . . . 546 VAL QG1 . 30010 1 378 . 1 1 34 34 VAL HG12 H 1 1.063 0.007 . . . . . . 546 VAL QG1 . 30010 1 379 . 1 1 34 34 VAL HG13 H 1 1.063 0.007 . . . . . . 546 VAL QG1 . 30010 1 380 . 1 1 34 34 VAL HG21 H 1 0.921 0.017 . . . . . . 546 VAL QG2 . 30010 1 381 . 1 1 34 34 VAL HG22 H 1 0.921 0.017 . . . . . . 546 VAL QG2 . 30010 1 382 . 1 1 34 34 VAL HG23 H 1 0.921 0.017 . . . . . . 546 VAL QG2 . 30010 1 383 . 1 1 35 35 VAL CA C 13 62.348 0.040 . . . . . . 547 VAL CA . 30010 1 384 . 1 1 35 35 VAL CB C 13 35.152 0.025 . . . . . . 547 VAL CB . 30010 1 385 . 1 1 35 35 VAL CG1 C 13 23.349 0.044 . . . . . . 547 VAL CG1 . 30010 1 386 . 1 1 35 35 VAL CG2 C 13 22.267 0.043 . . . . . . 547 VAL CG2 . 30010 1 387 . 1 1 35 35 VAL H H 1 9.498 0.002 . . . . . . 547 VAL H . 30010 1 388 . 1 1 35 35 VAL HA H 1 4.159 0.003 . . . . . . 547 VAL HA . 30010 1 389 . 1 1 35 35 VAL HB H 1 1.400 0.009 . . . . . . 547 VAL HB . 30010 1 390 . 1 1 35 35 VAL N N 15 128.294 0.033 . . . . . . 547 VAL N . 30010 1 391 . 1 1 35 35 VAL HG11 H 1 0.239 0.013 . . . . . . 547 VAL QG1 . 30010 1 392 . 1 1 35 35 VAL HG12 H 1 0.239 0.013 . . . . . . 547 VAL QG1 . 30010 1 393 . 1 1 35 35 VAL HG13 H 1 0.239 0.013 . . . . . . 547 VAL QG1 . 30010 1 394 . 1 1 35 35 VAL HG21 H 1 0.254 0.013 . . . . . . 547 VAL QG2 . 30010 1 395 . 1 1 35 35 VAL HG22 H 1 0.254 0.013 . . . . . . 547 VAL QG2 . 30010 1 396 . 1 1 35 35 VAL HG23 H 1 0.254 0.013 . . . . . . 547 VAL QG2 . 30010 1 397 . 1 1 36 36 LEU CA C 13 54.964 0.002 . . . . . . 548 LEU CA . 30010 1 398 . 1 1 36 36 LEU CB C 13 41.092 0.010 . . . . . . 548 LEU CB . 30010 1 399 . 1 1 36 36 LEU CD1 C 13 27.096 0.006 . . . . . . 548 LEU CD1 . 30010 1 400 . 1 1 36 36 LEU CD2 C 13 24.566 0.058 . . . . . . 548 LEU CD2 . 30010 1 401 . 1 1 36 36 LEU CG C 13 28.551 0.106 . . . . . . 548 LEU CG . 30010 1 402 . 1 1 36 36 LEU H H 1 9.179 0.002 . . . . . . 548 LEU H . 30010 1 403 . 1 1 36 36 LEU HA H 1 4.580 0.004 . . . . . . 548 LEU HA . 30010 1 404 . 1 1 36 36 LEU HB2 H 1 2.064 0.009 . . . . . . 548 LEU HB2 . 30010 1 405 . 1 1 36 36 LEU HB3 H 1 1.049 0.003 . . . . . . 548 LEU HB3 . 30010 1 406 . 1 1 36 36 LEU HG H 1 1.651 0.013 . . . . . . 548 LEU HG . 30010 1 407 . 1 1 36 36 LEU N N 15 124.725 0.028 . . . . . . 548 LEU N . 30010 1 408 . 1 1 36 36 LEU HD11 H 1 0.524 0.014 . . . . . . 548 LEU QD1 . 30010 1 409 . 1 1 36 36 LEU HD12 H 1 0.524 0.014 . . . . . . 548 LEU QD1 . 30010 1 410 . 1 1 36 36 LEU HD13 H 1 0.524 0.014 . . . . . . 548 LEU QD1 . 30010 1 411 . 1 1 36 36 LEU HD21 H 1 0.711 0.008 . . . . . . 548 LEU QD2 . 30010 1 412 . 1 1 36 36 LEU HD22 H 1 0.711 0.008 . . . . . . 548 LEU QD2 . 30010 1 413 . 1 1 36 36 LEU HD23 H 1 0.711 0.008 . . . . . . 548 LEU QD2 . 30010 1 414 . 1 1 37 37 VAL CA C 13 65.257 0.028 . . . . . . 549 VAL CA . 30010 1 415 . 1 1 37 37 VAL CB C 13 32.075 0.013 . . . . . . 549 VAL CB . 30010 1 416 . 1 1 37 37 VAL CG2 C 13 25.424 0.048 . . . . . . 549 VAL CG2 . 30010 1 417 . 1 1 37 37 VAL CG1 C 13 22.532 0.067 . . . . . . 549 VAL CG1 . 30010 1 418 . 1 1 37 37 VAL H H 1 8.587 0.005 . . . . . . 549 VAL H . 30010 1 419 . 1 1 37 37 VAL HA H 1 4.367 0.006 . . . . . . 549 VAL HA . 30010 1 420 . 1 1 37 37 VAL HB H 1 1.103 0.008 . . . . . . 549 VAL HB . 30010 1 421 . 1 1 37 37 VAL N N 15 124.735 0.008 . . . . . . 549 VAL N . 30010 1 422 . 1 1 37 37 VAL HG21 H 1 0.898 0.004 . . . . . . 549 VAL QG2 . 30010 1 423 . 1 1 37 37 VAL HG22 H 1 0.898 0.004 . . . . . . 549 VAL QG2 . 30010 1 424 . 1 1 37 37 VAL HG23 H 1 0.898 0.004 . . . . . . 549 VAL QG2 . 30010 1 425 . 1 1 37 37 VAL HG11 H 1 0.814 0.017 . . . . . . 549 VAL QG1 . 30010 1 426 . 1 1 37 37 VAL HG12 H 1 0.814 0.017 . . . . . . 549 VAL QG1 . 30010 1 427 . 1 1 37 37 VAL HG13 H 1 0.814 0.017 . . . . . . 549 VAL QG1 . 30010 1 428 . 1 1 38 38 ILE CA C 13 59.086 0.028 . . . . . . 550 ILE CA . 30010 1 429 . 1 1 38 38 ILE CB C 13 40.217 0.016 . . . . . . 550 ILE CB . 30010 1 430 . 1 1 38 38 ILE CD1 C 13 14.732 0.033 . . . . . . 550 ILE CD1 . 30010 1 431 . 1 1 38 38 ILE CG1 C 13 25.869 0.005 . . . . . . 550 ILE CG1 . 30010 1 432 . 1 1 38 38 ILE CG2 C 13 18.568 0.009 . . . . . . 550 ILE CG2 . 30010 1 433 . 1 1 38 38 ILE H H 1 8.063 0.003 . . . . . . 550 ILE H . 30010 1 434 . 1 1 38 38 ILE HA H 1 4.521 0.000 . . . . . . 550 ILE HA . 30010 1 435 . 1 1 38 38 ILE HB H 1 1.869 0.011 . . . . . . 550 ILE HB . 30010 1 436 . 1 1 38 38 ILE HG13 H 1 1.029 0.005 . . . . . . 550 ILE HG13 . 30010 1 437 . 1 1 38 38 ILE HG12 H 1 0.610 0.011 . . . . . . 550 ILE HG12 . 30010 1 438 . 1 1 38 38 ILE N N 15 119.965 0.010 . . . . . . 550 ILE N . 30010 1 439 . 1 1 38 38 ILE HD11 H 1 0.636 0.014 . . . . . . 550 ILE QD1 . 30010 1 440 . 1 1 38 38 ILE HD12 H 1 0.636 0.014 . . . . . . 550 ILE QD1 . 30010 1 441 . 1 1 38 38 ILE HD13 H 1 0.636 0.014 . . . . . . 550 ILE QD1 . 30010 1 442 . 1 1 38 38 ILE HG21 H 1 0.554 0.009 . . . . . . 550 ILE QG2 . 30010 1 443 . 1 1 38 38 ILE HG22 H 1 0.554 0.009 . . . . . . 550 ILE QG2 . 30010 1 444 . 1 1 38 38 ILE HG23 H 1 0.554 0.009 . . . . . . 550 ILE QG2 . 30010 1 445 . 1 1 39 39 PRO CA C 13 63.654 0.059 . . . . . . 551 PRO CA . 30010 1 446 . 1 1 39 39 PRO CB C 13 33.243 0.031 . . . . . . 551 PRO CB . 30010 1 447 . 1 1 39 39 PRO CD C 13 51.391 0.018 . . . . . . 551 PRO CD . 30010 1 448 . 1 1 39 39 PRO CG C 13 28.993 0.027 . . . . . . 551 PRO CG . 30010 1 449 . 1 1 39 39 PRO HA H 1 4.348 0.005 . . . . . . 551 PRO HA . 30010 1 450 . 1 1 39 39 PRO HB3 H 1 2.321 0.005 . . . . . . 551 PRO HB3 . 30010 1 451 . 1 1 39 39 PRO HB2 H 1 1.665 0.015 . . . . . . 551 PRO HB2 . 30010 1 452 . 1 1 39 39 PRO HD2 H 1 3.817 0.010 . . . . . . 551 PRO HD2 . 30010 1 453 . 1 1 39 39 PRO HD3 H 1 3.355 0.013 . . . . . . 551 PRO HD3 . 30010 1 454 . 1 1 39 39 PRO HG2 H 1 1.914 0.014 . . . . . . 551 PRO QG . 30010 1 455 . 1 1 39 39 PRO HG3 H 1 1.914 0.014 . . . . . . 551 PRO QG . 30010 1 456 . 1 1 40 40 PHE CA C 13 60.188 0.039 . . . . . . 552 PHE CA . 30010 1 457 . 1 1 40 40 PHE CB C 13 40.383 0.076 . . . . . . 552 PHE CB . 30010 1 458 . 1 1 40 40 PHE CD1 C 13 132.837 0.000 . . . . . . 552 PHE CD1 . 30010 1 459 . 1 1 40 40 PHE CE1 C 13 132.861 0.000 . . . . . . 552 PHE CE1 . 30010 1 460 . 1 1 40 40 PHE CZ C 13 130.337 0.042 . . . . . . 552 PHE CZ . 30010 1 461 . 1 1 40 40 PHE H H 1 8.422 0.001 . . . . . . 552 PHE H . 30010 1 462 . 1 1 40 40 PHE HA H 1 4.072 0.002 . . . . . . 552 PHE HA . 30010 1 463 . 1 1 40 40 PHE HB3 H 1 2.774 0.002 . . . . . . 552 PHE HB3 . 30010 1 464 . 1 1 40 40 PHE HB2 H 1 2.720 0.003 . . . . . . 552 PHE HB2 . 30010 1 465 . 1 1 40 40 PHE HZ H 1 7.133 0.005 . . . . . . 552 PHE HZ . 30010 1 466 . 1 1 40 40 PHE N N 15 117.191 0.035 . . . . . . 552 PHE N . 30010 1 467 . 1 1 40 40 PHE HD1 H 1 7.315 0.006 . . . . . . 552 PHE QD . 30010 1 468 . 1 1 40 40 PHE HD2 H 1 7.315 0.006 . . . . . . 552 PHE QD . 30010 1 469 . 1 1 40 40 PHE HE1 H 1 7.341 0.011 . . . . . . 552 PHE QE . 30010 1 470 . 1 1 40 40 PHE HE2 H 1 7.341 0.011 . . . . . . 552 PHE QE . 30010 1 471 . 1 1 41 41 GLN CA C 13 59.089 0.030 . . . . . . 553 GLN CA . 30010 1 472 . 1 1 41 41 GLN CB C 13 29.715 0.076 . . . . . . 553 GLN CB . 30010 1 473 . 1 1 41 41 GLN CG C 13 34.976 0.054 . . . . . . 553 GLN CG . 30010 1 474 . 1 1 41 41 GLN H H 1 8.630 0.013 . . . . . . 553 GLN H . 30010 1 475 . 1 1 41 41 GLN HA H 1 4.026 0.005 . . . . . . 553 GLN HA . 30010 1 476 . 1 1 41 41 GLN HE21 H 1 7.547 0.007 . . . . . . 553 GLN HE21 . 30010 1 477 . 1 1 41 41 GLN HE22 H 1 6.827 0.008 . . . . . . 553 GLN HE22 . 30010 1 478 . 1 1 41 41 GLN HG2 H 1 2.373 0.000 . . . . . . 553 GLN HG2 . 30010 1 479 . 1 1 41 41 GLN HG3 H 1 2.355 0.000 . . . . . . 553 GLN HG3 . 30010 1 480 . 1 1 41 41 GLN N N 15 121.575 0.085 . . . . . . 553 GLN N . 30010 1 481 . 1 1 41 41 GLN NE2 N 15 110.720 0.000 . . . . . . 553 GLN NE2 . 30010 1 482 . 1 1 41 41 GLN HB2 H 1 2.024 0.006 . . . . . . 553 GLN QB . 30010 1 483 . 1 1 41 41 GLN HB3 H 1 2.024 0.006 . . . . . . 553 GLN QB . 30010 1 484 . 1 1 42 42 ASN CA C 13 51.002 0.043 . . . . . . 554 ASN CA . 30010 1 485 . 1 1 42 42 ASN CB C 13 40.228 0.033 . . . . . . 554 ASN CB . 30010 1 486 . 1 1 42 42 ASN H H 1 8.070 0.003 . . . . . . 554 ASN H . 30010 1 487 . 1 1 42 42 ASN HA H 1 5.182 0.012 . . . . . . 554 ASN HA . 30010 1 488 . 1 1 42 42 ASN HB3 H 1 2.880 0.009 . . . . . . 554 ASN HB3 . 30010 1 489 . 1 1 42 42 ASN HB2 H 1 2.696 0.010 . . . . . . 554 ASN HB2 . 30010 1 490 . 1 1 42 42 ASN HD21 H 1 7.661 0.000 . . . . . . 554 ASN HD21 . 30010 1 491 . 1 1 42 42 ASN HD22 H 1 6.996 0.006 . . . . . . 554 ASN HD22 . 30010 1 492 . 1 1 42 42 ASN N N 15 113.247 0.013 . . . . . . 554 ASN N . 30010 1 493 . 1 1 42 42 ASN ND2 N 15 111.648 0.066 . . . . . . 554 ASN ND2 . 30010 1 494 . 1 1 43 43 PRO CA C 13 65.807 0.035 . . . . . . 555 PRO CA . 30010 1 495 . 1 1 43 43 PRO CB C 13 33.104 0.053 . . . . . . 555 PRO CB . 30010 1 496 . 1 1 43 43 PRO CD C 13 52.094 0.011 . . . . . . 555 PRO CD . 30010 1 497 . 1 1 43 43 PRO CG C 13 28.318 0.061 . . . . . . 555 PRO CG . 30010 1 498 . 1 1 43 43 PRO HA H 1 4.067 0.006 . . . . . . 555 PRO HA . 30010 1 499 . 1 1 43 43 PRO HB2 H 1 2.364 0.009 . . . . . . 555 PRO HB2 . 30010 1 500 . 1 1 43 43 PRO HB3 H 1 1.948 0.006 . . . . . . 555 PRO HB3 . 30010 1 501 . 1 1 43 43 PRO HD2 H 1 3.875 0.006 . . . . . . 555 PRO HD2 . 30010 1 502 . 1 1 43 43 PRO HD3 H 1 3.728 0.018 . . . . . . 555 PRO HD3 . 30010 1 503 . 1 1 43 43 PRO HG3 H 1 2.002 0.000 . . . . . . 555 PRO HG3 . 30010 1 504 . 1 1 43 43 PRO HG2 H 1 1.934 0.000 . . . . . . 555 PRO HG2 . 30010 1 505 . 1 1 44 44 GLU CA C 13 59.127 0.049 . . . . . . 556 GLU CA . 30010 1 506 . 1 1 44 44 GLU CB C 13 29.663 0.078 . . . . . . 556 GLU CB . 30010 1 507 . 1 1 44 44 GLU CG C 13 37.445 0.069 . . . . . . 556 GLU CG . 30010 1 508 . 1 1 44 44 GLU H H 1 8.636 0.002 . . . . . . 556 GLU H . 30010 1 509 . 1 1 44 44 GLU HA H 1 4.074 0.003 . . . . . . 556 GLU HA . 30010 1 510 . 1 1 44 44 GLU HB2 H 1 2.004 0.016 . . . . . . 556 GLU HB2 . 30010 1 511 . 1 1 44 44 GLU HB3 H 1 1.928 0.004 . . . . . . 556 GLU HB3 . 30010 1 512 . 1 1 44 44 GLU HG2 H 1 2.284 0.015 . . . . . . 556 GLU HG2 . 30010 1 513 . 1 1 44 44 GLU HG3 H 1 2.196 0.004 . . . . . . 556 GLU HG3 . 30010 1 514 . 1 1 44 44 GLU N N 15 115.625 0.042 . . . . . . 556 GLU N . 30010 1 515 . 1 1 45 45 GLU CA C 13 57.146 0.039 . . . . . . 557 GLU CA . 30010 1 516 . 1 1 45 45 GLU CB C 13 31.383 0.059 . . . . . . 557 GLU CB . 30010 1 517 . 1 1 45 45 GLU CG C 13 38.062 0.061 . . . . . . 557 GLU CG . 30010 1 518 . 1 1 45 45 GLU H H 1 7.729 0.005 . . . . . . 557 GLU H . 30010 1 519 . 1 1 45 45 GLU HA H 1 4.027 0.002 . . . . . . 557 GLU HA . 30010 1 520 . 1 1 45 45 GLU HB3 H 1 2.172 0.004 . . . . . . 557 GLU HB3 . 30010 1 521 . 1 1 45 45 GLU HB2 H 1 2.107 0.001 . . . . . . 557 GLU HB2 . 30010 1 522 . 1 1 45 45 GLU N N 15 114.991 0.010 . . . . . . 557 GLU N . 30010 1 523 . 1 1 45 45 GLU HG2 H 1 2.229 0.006 . . . . . . 557 GLU QG . 30010 1 524 . 1 1 45 45 GLU HG3 H 1 2.229 0.006 . . . . . . 557 GLU QG . 30010 1 525 . 1 1 46 46 GLN CA C 13 57.273 0.036 . . . . . . 558 GLN CA . 30010 1 526 . 1 1 46 46 GLN CB C 13 29.170 0.023 . . . . . . 558 GLN CB . 30010 1 527 . 1 1 46 46 GLN CG C 13 34.334 0.036 . . . . . . 558 GLN CG . 30010 1 528 . 1 1 46 46 GLN H H 1 6.813 0.003 . . . . . . 558 GLN H . 30010 1 529 . 1 1 46 46 GLN HA H 1 3.107 0.001 . . . . . . 558 GLN HA . 30010 1 530 . 1 1 46 46 GLN HB2 H 1 1.533 0.001 . . . . . . 558 GLN HB2 . 30010 1 531 . 1 1 46 46 GLN HB3 H 1 0.335 0.002 . . . . . . 558 GLN HB3 . 30010 1 532 . 1 1 46 46 GLN HE21 H 1 7.694 0.004 . . . . . . 558 GLN HE21 . 30010 1 533 . 1 1 46 46 GLN HE22 H 1 6.970 0.005 . . . . . . 558 GLN HE22 . 30010 1 534 . 1 1 46 46 GLN N N 15 117.689 0.014 . . . . . . 558 GLN N . 30010 1 535 . 1 1 46 46 GLN NE2 N 15 109.244 0.039 . . . . . . 558 GLN NE2 . 30010 1 536 . 1 1 46 46 GLN HG2 H 1 1.728 0.004 . . . . . . 558 GLN QG . 30010 1 537 . 1 1 46 46 GLN HG3 H 1 1.728 0.004 . . . . . . 558 GLN QG . 30010 1 538 . 1 1 47 47 ASP CA C 13 54.858 0.056 . . . . . . 559 ASP CA . 30010 1 539 . 1 1 47 47 ASP CB C 13 45.676 0.050 . . . . . . 559 ASP CB . 30010 1 540 . 1 1 47 47 ASP H H 1 7.591 0.005 . . . . . . 559 ASP H . 30010 1 541 . 1 1 47 47 ASP HA H 1 4.709 0.000 . . . . . . 559 ASP HA . 30010 1 542 . 1 1 47 47 ASP HB2 H 1 2.602 0.002 . . . . . . 559 ASP HB2 . 30010 1 543 . 1 1 47 47 ASP HB3 H 1 2.210 0.003 . . . . . . 559 ASP HB3 . 30010 1 544 . 1 1 47 47 ASP N N 15 124.609 0.043 . . . . . . 559 ASP N . 30010 1 545 . 1 1 48 48 GLU CA C 13 59.281 0.024 . . . . . . 560 GLU CA . 30010 1 546 . 1 1 48 48 GLU CB C 13 30.438 0.035 . . . . . . 560 GLU CB . 30010 1 547 . 1 1 48 48 GLU CG C 13 37.130 0.033 . . . . . . 560 GLU CG . 30010 1 548 . 1 1 48 48 GLU H H 1 8.698 0.005 . . . . . . 560 GLU H . 30010 1 549 . 1 1 48 48 GLU HA H 1 4.075 0.004 . . . . . . 560 GLU HA . 30010 1 550 . 1 1 48 48 GLU HB2 H 1 2.029 0.004 . . . . . . 560 GLU HB2 . 30010 1 551 . 1 1 48 48 GLU HB3 H 1 1.945 0.006 . . . . . . 560 GLU HB3 . 30010 1 552 . 1 1 48 48 GLU N N 15 121.403 0.050 . . . . . . 560 GLU N . 30010 1 553 . 1 1 48 48 GLU HG2 H 1 2.282 0.009 . . . . . . 560 GLU QG . 30010 1 554 . 1 1 48 48 GLU HG3 H 1 2.282 0.009 . . . . . . 560 GLU QG . 30010 1 555 . 1 1 49 49 GLY CA C 13 46.361 0.010 . . . . . . 561 GLY CA . 30010 1 556 . 1 1 49 49 GLY H H 1 8.865 0.004 . . . . . . 561 GLY H . 30010 1 557 . 1 1 49 49 GLY HA3 H 1 4.289 0.000 . . . . . . 561 GLY HA3 . 30010 1 558 . 1 1 49 49 GLY HA2 H 1 3.750 0.000 . . . . . . 561 GLY HA2 . 30010 1 559 . 1 1 49 49 GLY N N 15 111.186 0.023 . . . . . . 561 GLY N . 30010 1 560 . 1 1 50 50 TRP CA C 13 57.835 0.040 . . . . . . 562 TRP CA . 30010 1 561 . 1 1 50 50 TRP CB C 13 31.543 0.056 . . . . . . 562 TRP CB . 30010 1 562 . 1 1 50 50 TRP CD1 C 13 126.768 0.036 . . . . . . 562 TRP CD1 . 30010 1 563 . 1 1 50 50 TRP CE3 C 13 121.234 0.039 . . . . . . 562 TRP CE3 . 30010 1 564 . 1 1 50 50 TRP CH2 C 13 125.298 0.025 . . . . . . 562 TRP CH2 . 30010 1 565 . 1 1 50 50 TRP CZ2 C 13 114.836 0.045 . . . . . . 562 TRP CZ2 . 30010 1 566 . 1 1 50 50 TRP CZ3 C 13 121.285 0.033 . . . . . . 562 TRP CZ3 . 30010 1 567 . 1 1 50 50 TRP H H 1 8.273 0.005 . . . . . . 562 TRP H . 30010 1 568 . 1 1 50 50 TRP HA H 1 4.842 0.000 . . . . . . 562 TRP HA . 30010 1 569 . 1 1 50 50 TRP HB3 H 1 3.258 0.010 . . . . . . 562 TRP HB3 . 30010 1 570 . 1 1 50 50 TRP HB2 H 1 3.009 0.004 . . . . . . 562 TRP HB2 . 30010 1 571 . 1 1 50 50 TRP HD1 H 1 6.884 0.005 . . . . . . 562 TRP HD1 . 30010 1 572 . 1 1 50 50 TRP HE1 H 1 9.217 0.005 . . . . . . 562 TRP HE1 . 30010 1 573 . 1 1 50 50 TRP HE3 H 1 7.189 0.006 . . . . . . 562 TRP HE3 . 30010 1 574 . 1 1 50 50 TRP HH2 H 1 7.308 0.004 . . . . . . 562 TRP HH2 . 30010 1 575 . 1 1 50 50 TRP HZ2 H 1 7.428 0.003 . . . . . . 562 TRP HZ2 . 30010 1 576 . 1 1 50 50 TRP HZ3 H 1 6.578 0.004 . . . . . . 562 TRP HZ3 . 30010 1 577 . 1 1 50 50 TRP N N 15 120.230 0.037 . . . . . . 562 TRP N . 30010 1 578 . 1 1 50 50 TRP NE1 N 15 128.468 0.018 . . . . . . 562 TRP NE1 . 30010 1 579 . 1 1 51 51 LEU CA C 13 53.630 0.021 . . . . . . 563 LEU CA . 30010 1 580 . 1 1 51 51 LEU CB C 13 47.343 0.026 . . . . . . 563 LEU CB . 30010 1 581 . 1 1 51 51 LEU CD1 C 13 26.851 0.032 . . . . . . 563 LEU CD1 . 30010 1 582 . 1 1 51 51 LEU CD2 C 13 23.771 0.062 . . . . . . 563 LEU CD2 . 30010 1 583 . 1 1 51 51 LEU CG C 13 28.838 0.003 . . . . . . 563 LEU CG . 30010 1 584 . 1 1 51 51 LEU H H 1 8.265 0.001 . . . . . . 563 LEU H . 30010 1 585 . 1 1 51 51 LEU HA H 1 4.734 0.002 . . . . . . 563 LEU HA . 30010 1 586 . 1 1 51 51 LEU HB3 H 1 1.141 0.004 . . . . . . 563 LEU HB3 . 30010 1 587 . 1 1 51 51 LEU HB2 H 1 0.571 0.008 . . . . . . 563 LEU HB2 . 30010 1 588 . 1 1 51 51 LEU HG H 1 1.170 0.011 . . . . . . 563 LEU HG . 30010 1 589 . 1 1 51 51 LEU N N 15 119.526 0.034 . . . . . . 563 LEU N . 30010 1 590 . 1 1 51 51 LEU HD11 H 1 0.920 0.010 . . . . . . 563 LEU QD1 . 30010 1 591 . 1 1 51 51 LEU HD12 H 1 0.920 0.010 . . . . . . 563 LEU QD1 . 30010 1 592 . 1 1 51 51 LEU HD13 H 1 0.920 0.010 . . . . . . 563 LEU QD1 . 30010 1 593 . 1 1 51 51 LEU HD21 H 1 0.961 0.009 . . . . . . 563 LEU QD2 . 30010 1 594 . 1 1 51 51 LEU HD22 H 1 0.961 0.009 . . . . . . 563 LEU QD2 . 30010 1 595 . 1 1 51 51 LEU HD23 H 1 0.961 0.009 . . . . . . 563 LEU QD2 . 30010 1 596 . 1 1 52 52 MET CA C 13 54.143 0.045 . . . . . . 564 MET CA . 30010 1 597 . 1 1 52 52 MET CB C 13 32.063 0.029 . . . . . . 564 MET CB . 30010 1 598 . 1 1 52 52 MET CE C 13 18.180 0.000 . . . . . . 564 MET CE . 30010 1 599 . 1 1 52 52 MET CG C 13 33.362 0.036 . . . . . . 564 MET CG . 30010 1 600 . 1 1 52 52 MET H H 1 8.328 0.006 . . . . . . 564 MET H . 30010 1 601 . 1 1 52 52 MET HA H 1 4.812 0.000 . . . . . . 564 MET HA . 30010 1 602 . 1 1 52 52 MET HB3 H 1 1.718 0.001 . . . . . . 564 MET HB3 . 30010 1 603 . 1 1 52 52 MET HB2 H 1 0.479 0.005 . . . . . . 564 MET HB2 . 30010 1 604 . 1 1 52 52 MET HG2 H 1 2.114 0.007 . . . . . . 564 MET HG2 . 30010 1 605 . 1 1 52 52 MET HG3 H 1 1.871 0.006 . . . . . . 564 MET HG3 . 30010 1 606 . 1 1 52 52 MET N N 15 118.750 0.032 . . . . . . 564 MET N . 30010 1 607 . 1 1 52 52 MET HE1 H 1 1.693 0.000 . . . . . . 564 MET QE . 30010 1 608 . 1 1 52 52 MET HE2 H 1 1.693 0.000 . . . . . . 564 MET QE . 30010 1 609 . 1 1 52 52 MET HE3 H 1 1.693 0.000 . . . . . . 564 MET QE . 30010 1 610 . 1 1 53 53 GLY CA C 13 47.029 0.027 . . . . . . 565 GLY CA . 30010 1 611 . 1 1 53 53 GLY H H 1 9.097 0.002 . . . . . . 565 GLY H . 30010 1 612 . 1 1 53 53 GLY HA2 H 1 5.145 0.005 . . . . . . 565 GLY HA2 . 30010 1 613 . 1 1 53 53 GLY HA3 H 1 3.563 0.004 . . . . . . 565 GLY HA3 . 30010 1 614 . 1 1 53 53 GLY N N 15 108.437 0.026 . . . . . . 565 GLY N . 30010 1 615 . 1 1 54 54 VAL CA C 13 59.869 0.043 . . . . . . 566 VAL CA . 30010 1 616 . 1 1 54 54 VAL CB C 13 36.672 0.015 . . . . . . 566 VAL CB . 30010 1 617 . 1 1 54 54 VAL CG2 C 13 23.270 0.078 . . . . . . 566 VAL CG2 . 30010 1 618 . 1 1 54 54 VAL CG1 C 13 21.701 0.047 . . . . . . 566 VAL CG1 . 30010 1 619 . 1 1 54 54 VAL H H 1 8.508 0.004 . . . . . . 566 VAL H . 30010 1 620 . 1 1 54 54 VAL HA H 1 4.559 0.000 . . . . . . 566 VAL HA . 30010 1 621 . 1 1 54 54 VAL HB H 1 1.793 0.005 . . . . . . 566 VAL HB . 30010 1 622 . 1 1 54 54 VAL N N 15 112.604 0.030 . . . . . . 566 VAL N . 30010 1 623 . 1 1 54 54 VAL HG21 H 1 1.090 0.005 . . . . . . 566 VAL QG2 . 30010 1 624 . 1 1 54 54 VAL HG22 H 1 1.090 0.005 . . . . . . 566 VAL QG2 . 30010 1 625 . 1 1 54 54 VAL HG23 H 1 1.090 0.005 . . . . . . 566 VAL QG2 . 30010 1 626 . 1 1 54 54 VAL HG11 H 1 0.865 0.003 . . . . . . 566 VAL QG1 . 30010 1 627 . 1 1 54 54 VAL HG12 H 1 0.865 0.003 . . . . . . 566 VAL QG1 . 30010 1 628 . 1 1 54 54 VAL HG13 H 1 0.865 0.003 . . . . . . 566 VAL QG1 . 30010 1 629 . 1 1 55 55 LYS CA C 13 59.898 0.022 . . . . . . 567 LYS CA . 30010 1 630 . 1 1 55 55 LYS CB C 13 32.032 0.058 . . . . . . 567 LYS CB . 30010 1 631 . 1 1 55 55 LYS CD C 13 30.050 0.011 . . . . . . 567 LYS CD . 30010 1 632 . 1 1 55 55 LYS CE C 13 43.403 0.022 . . . . . . 567 LYS CE . 30010 1 633 . 1 1 55 55 LYS CG C 13 28.659 0.029 . . . . . . 567 LYS CG . 30010 1 634 . 1 1 55 55 LYS H H 1 10.276 0.002 . . . . . . 567 LYS H . 30010 1 635 . 1 1 55 55 LYS HA H 1 4.181 0.005 . . . . . . 567 LYS HA . 30010 1 636 . 1 1 55 55 LYS HB3 H 1 2.262 0.005 . . . . . . 567 LYS HB3 . 30010 1 637 . 1 1 55 55 LYS HB2 H 1 1.663 0.007 . . . . . . 567 LYS HB2 . 30010 1 638 . 1 1 55 55 LYS HG3 H 1 1.835 0.001 . . . . . . 567 LYS HG3 . 30010 1 639 . 1 1 55 55 LYS HG2 H 1 1.185 0.004 . . . . . . 567 LYS HG2 . 30010 1 640 . 1 1 55 55 LYS N N 15 127.244 0.008 . . . . . . 567 LYS N . 30010 1 641 . 1 1 55 55 LYS HD2 H 1 1.829 0.009 . . . . . . 567 LYS QD . 30010 1 642 . 1 1 55 55 LYS HD3 H 1 1.829 0.009 . . . . . . 567 LYS QD . 30010 1 643 . 1 1 55 55 LYS HE2 H 1 2.987 0.008 . . . . . . 567 LYS QE . 30010 1 644 . 1 1 55 55 LYS HE3 H 1 2.987 0.008 . . . . . . 567 LYS QE . 30010 1 645 . 1 1 56 56 GLU CA C 13 61.334 0.022 . . . . . . 568 GLU CA . 30010 1 646 . 1 1 56 56 GLU CB C 13 31.359 0.041 . . . . . . 568 GLU CB . 30010 1 647 . 1 1 56 56 GLU CG C 13 38.306 0.018 . . . . . . 568 GLU CG . 30010 1 648 . 1 1 56 56 GLU H H 1 9.014 0.003 . . . . . . 568 GLU H . 30010 1 649 . 1 1 56 56 GLU HA H 1 3.838 0.005 . . . . . . 568 GLU HA . 30010 1 650 . 1 1 56 56 GLU HB3 H 1 2.183 0.008 . . . . . . 568 GLU HB3 . 30010 1 651 . 1 1 56 56 GLU HB2 H 1 1.785 0.001 . . . . . . 568 GLU HB2 . 30010 1 652 . 1 1 56 56 GLU HG2 H 1 2.337 0.008 . . . . . . 568 GLU HG2 . 30010 1 653 . 1 1 56 56 GLU HG3 H 1 2.186 0.000 . . . . . . 568 GLU HG3 . 30010 1 654 . 1 1 56 56 GLU N N 15 125.495 0.021 . . . . . . 568 GLU N . 30010 1 655 . 1 1 57 57 SER CA C 13 62.118 0.080 . . . . . . 569 SER CA . 30010 1 656 . 1 1 57 57 SER CB C 13 62.968 0.080 . . . . . . 569 SER CB . 30010 1 657 . 1 1 57 57 SER H H 1 9.200 0.004 . . . . . . 569 SER H . 30010 1 658 . 1 1 57 57 SER HA H 1 4.223 0.008 . . . . . . 569 SER HA . 30010 1 659 . 1 1 57 57 SER HB2 H 1 3.932 0.000 . . . . . . 569 SER HB2 . 30010 1 660 . 1 1 57 57 SER HB3 H 1 3.896 0.001 . . . . . . 569 SER HB3 . 30010 1 661 . 1 1 57 57 SER N N 15 111.182 0.010 . . . . . . 569 SER N . 30010 1 662 . 1 1 58 58 ASP CA C 13 58.509 0.013 . . . . . . 570 ASP CA . 30010 1 663 . 1 1 58 58 ASP CB C 13 42.170 0.031 . . . . . . 570 ASP CB . 30010 1 664 . 1 1 58 58 ASP H H 1 6.699 0.003 . . . . . . 570 ASP H . 30010 1 665 . 1 1 58 58 ASP HA H 1 4.511 0.004 . . . . . . 570 ASP HA . 30010 1 666 . 1 1 58 58 ASP HB2 H 1 2.911 0.003 . . . . . . 570 ASP HB2 . 30010 1 667 . 1 1 58 58 ASP HB3 H 1 2.811 0.001 . . . . . . 570 ASP HB3 . 30010 1 668 . 1 1 58 58 ASP N N 15 120.192 0.013 . . . . . . 570 ASP N . 30010 1 669 . 1 1 59 59 TRP CA C 13 60.645 0.033 . . . . . . 571 TRP CA . 30010 1 670 . 1 1 59 59 TRP CB C 13 31.524 0.061 . . . . . . 571 TRP CB . 30010 1 671 . 1 1 59 59 TRP CD1 C 13 127.653 0.072 . . . . . . 571 TRP CD1 . 30010 1 672 . 1 1 59 59 TRP CE3 C 13 120.931 0.035 . . . . . . 571 TRP CE3 . 30010 1 673 . 1 1 59 59 TRP CH2 C 13 125.131 0.034 . . . . . . 571 TRP CH2 . 30010 1 674 . 1 1 59 59 TRP CZ2 C 13 115.963 0.058 . . . . . . 571 TRP CZ2 . 30010 1 675 . 1 1 59 59 TRP CZ3 C 13 123.309 0.033 . . . . . . 571 TRP CZ3 . 30010 1 676 . 1 1 59 59 TRP H H 1 8.365 0.003 . . . . . . 571 TRP H . 30010 1 677 . 1 1 59 59 TRP HA H 1 4.440 0.000 . . . . . . 571 TRP HA . 30010 1 678 . 1 1 59 59 TRP HB3 H 1 3.232 0.000 . . . . . . 571 TRP HB3 . 30010 1 679 . 1 1 59 59 TRP HB2 H 1 3.132 0.004 . . . . . . 571 TRP HB2 . 30010 1 680 . 1 1 59 59 TRP HD1 H 1 7.183 0.006 . . . . . . 571 TRP HD1 . 30010 1 681 . 1 1 59 59 TRP HE1 H 1 10.424 0.001 . . . . . . 571 TRP HE1 . 30010 1 682 . 1 1 59 59 TRP HE3 H 1 7.424 0.005 . . . . . . 571 TRP HE3 . 30010 1 683 . 1 1 59 59 TRP HH2 H 1 7.189 0.005 . . . . . . 571 TRP HH2 . 30010 1 684 . 1 1 59 59 TRP HZ2 H 1 6.828 0.004 . . . . . . 571 TRP HZ2 . 30010 1 685 . 1 1 59 59 TRP HZ3 H 1 7.126 0.003 . . . . . . 571 TRP HZ3 . 30010 1 686 . 1 1 59 59 TRP N N 15 120.549 0.021 . . . . . . 571 TRP N . 30010 1 687 . 1 1 59 59 TRP NE1 N 15 126.741 0.003 . . . . . . 571 TRP NE1 . 30010 1 688 . 1 1 60 60 ASN CA C 13 56.063 0.031 . . . . . . 572 ASN CA . 30010 1 689 . 1 1 60 60 ASN CB C 13 39.020 0.019 . . . . . . 572 ASN CB . 30010 1 690 . 1 1 60 60 ASN H H 1 9.020 0.004 . . . . . . 572 ASN H . 30010 1 691 . 1 1 60 60 ASN HA H 1 4.152 0.006 . . . . . . 572 ASN HA . 30010 1 692 . 1 1 60 60 ASN HB2 H 1 2.924 0.008 . . . . . . 572 ASN HB2 . 30010 1 693 . 1 1 60 60 ASN HB3 H 1 2.812 0.006 . . . . . . 572 ASN HB3 . 30010 1 694 . 1 1 60 60 ASN HD21 H 1 7.677 0.000 . . . . . . 572 ASN HD21 . 30010 1 695 . 1 1 60 60 ASN HD22 H 1 7.181 0.002 . . . . . . 572 ASN HD22 . 30010 1 696 . 1 1 60 60 ASN N N 15 115.900 0.053 . . . . . . 572 ASN N . 30010 1 697 . 1 1 60 60 ASN ND2 N 15 108.946 0.009 . . . . . . 572 ASN ND2 . 30010 1 698 . 1 1 61 61 GLN CA C 13 56.805 0.026 . . . . . . 573 GLN CA . 30010 1 699 . 1 1 61 61 GLN CB C 13 30.657 0.025 . . . . . . 573 GLN CB . 30010 1 700 . 1 1 61 61 GLN CG C 13 35.755 0.061 . . . . . . 573 GLN CG . 30010 1 701 . 1 1 61 61 GLN H H 1 7.135 0.002 . . . . . . 573 GLN H . 30010 1 702 . 1 1 61 61 GLN HA H 1 4.428 0.001 . . . . . . 573 GLN HA . 30010 1 703 . 1 1 61 61 GLN HB2 H 1 2.400 0.005 . . . . . . 573 GLN HB2 . 30010 1 704 . 1 1 61 61 GLN HB3 H 1 2.018 0.004 . . . . . . 573 GLN HB3 . 30010 1 705 . 1 1 61 61 GLN HE21 H 1 7.271 0.001 . . . . . . 573 GLN HE21 . 30010 1 706 . 1 1 61 61 GLN HE22 H 1 6.882 0.000 . . . . . . 573 GLN HE22 . 30010 1 707 . 1 1 61 61 GLN HG2 H 1 2.636 0.008 . . . . . . 573 GLN HG2 . 30010 1 708 . 1 1 61 61 GLN HG3 H 1 2.408 0.005 . . . . . . 573 GLN HG3 . 30010 1 709 . 1 1 61 61 GLN N N 15 114.644 0.026 . . . . . . 573 GLN N . 30010 1 710 . 1 1 61 61 GLN NE2 N 15 109.731 0.019 . . . . . . 573 GLN NE2 . 30010 1 711 . 1 1 62 62 HIS CA C 13 58.376 0.050 . . . . . . 574 HIS CA . 30010 1 712 . 1 1 62 62 HIS CB C 13 26.211 0.084 . . . . . . 574 HIS CB . 30010 1 713 . 1 1 62 62 HIS CD2 C 13 121.550 0.035 . . . . . . 574 HIS CD2 . 30010 1 714 . 1 1 62 62 HIS CE1 C 13 137.422 0.035 . . . . . . 574 HIS CE1 . 30010 1 715 . 1 1 62 62 HIS H H 1 7.910 0.003 . . . . . . 574 HIS H . 30010 1 716 . 1 1 62 62 HIS HA H 1 3.546 0.000 . . . . . . 574 HIS HA . 30010 1 717 . 1 1 62 62 HIS HD2 H 1 6.787 0.002 . . . . . . 574 HIS HD2 . 30010 1 718 . 1 1 62 62 HIS HE1 H 1 7.900 0.002 . . . . . . 574 HIS HE1 . 30010 1 719 . 1 1 62 62 HIS N N 15 111.437 0.022 . . . . . . 574 HIS N . 30010 1 720 . 1 1 62 62 HIS HB2 H 1 3.217 0.006 . . . . . . 574 HIS QB . 30010 1 721 . 1 1 62 62 HIS HB3 H 1 3.217 0.006 . . . . . . 574 HIS QB . 30010 1 722 . 1 1 63 63 LYS CA C 13 57.788 0.008 . . . . . . 575 LYS CA . 30010 1 723 . 1 1 63 63 LYS CB C 13 35.289 0.018 . . . . . . 575 LYS CB . 30010 1 724 . 1 1 63 63 LYS CD C 13 30.599 0.057 . . . . . . 575 LYS CD . 30010 1 725 . 1 1 63 63 LYS CG C 13 27.343 0.048 . . . . . . 575 LYS CG . 30010 1 726 . 1 1 63 63 LYS H H 1 7.000 0.003 . . . . . . 575 LYS H . 30010 1 727 . 1 1 63 63 LYS HA H 1 4.183 0.003 . . . . . . 575 LYS HA . 30010 1 728 . 1 1 63 63 LYS HB2 H 1 1.683 0.001 . . . . . . 575 LYS HB2 . 30010 1 729 . 1 1 63 63 LYS HB3 H 1 1.579 0.000 . . . . . . 575 LYS HB3 . 30010 1 730 . 1 1 63 63 LYS HD2 H 1 1.643 0.000 . . . . . . 575 LYS HD2 . 30010 1 731 . 1 1 63 63 LYS HD3 H 1 1.525 0.003 . . . . . . 575 LYS HD3 . 30010 1 732 . 1 1 63 63 LYS N N 15 114.772 0.034 . . . . . . 575 LYS N . 30010 1 733 . 1 1 63 63 LYS HE2 H 1 2.922 0.000 . . . . . . 575 LYS QE . 30010 1 734 . 1 1 63 63 LYS HE3 H 1 2.922 0.000 . . . . . . 575 LYS QE . 30010 1 735 . 1 1 63 63 LYS HG2 H 1 1.442 0.003 . . . . . . 575 LYS QG . 30010 1 736 . 1 1 63 63 LYS HG3 H 1 1.442 0.003 . . . . . . 575 LYS QG . 30010 1 737 . 1 1 64 64 GLU CA C 13 58.026 0.053 . . . . . . 576 GLU CA . 30010 1 738 . 1 1 64 64 GLU CB C 13 30.890 0.034 . . . . . . 576 GLU CB . 30010 1 739 . 1 1 64 64 GLU CG C 13 37.608 0.029 . . . . . . 576 GLU CG . 30010 1 740 . 1 1 64 64 GLU H H 1 8.823 0.002 . . . . . . 576 GLU H . 30010 1 741 . 1 1 64 64 GLU HA H 1 4.127 0.002 . . . . . . 576 GLU HA . 30010 1 742 . 1 1 64 64 GLU HB2 H 1 2.105 0.000 . . . . . . 576 GLU HB2 . 30010 1 743 . 1 1 64 64 GLU HB3 H 1 1.939 0.000 . . . . . . 576 GLU HB3 . 30010 1 744 . 1 1 64 64 GLU HG2 H 1 2.407 0.000 . . . . . . 576 GLU HG2 . 30010 1 745 . 1 1 64 64 GLU HG3 H 1 2.370 0.009 . . . . . . 576 GLU HG3 . 30010 1 746 . 1 1 64 64 GLU N N 15 120.708 0.047 . . . . . . 576 GLU N . 30010 1 747 . 1 1 65 65 LEU CA C 13 60.038 0.026 . . . . . . 577 LEU CA . 30010 1 748 . 1 1 65 65 LEU CB C 13 43.556 0.019 . . . . . . 577 LEU CB . 30010 1 749 . 1 1 65 65 LEU CD1 C 13 26.858 0.055 . . . . . . 577 LEU CD1 . 30010 1 750 . 1 1 65 65 LEU CD2 C 13 25.705 0.097 . . . . . . 577 LEU CD2 . 30010 1 751 . 1 1 65 65 LEU CG C 13 28.149 0.000 . . . . . . 577 LEU CG . 30010 1 752 . 1 1 65 65 LEU H H 1 9.092 0.003 . . . . . . 577 LEU H . 30010 1 753 . 1 1 65 65 LEU HA H 1 4.128 0.012 . . . . . . 577 LEU HA . 30010 1 754 . 1 1 65 65 LEU HG H 1 1.635 0.011 . . . . . . 577 LEU HG . 30010 1 755 . 1 1 65 65 LEU N N 15 128.544 0.032 . . . . . . 577 LEU N . 30010 1 756 . 1 1 65 65 LEU HB2 H 1 1.916 0.020 . . . . . . 577 LEU QB . 30010 1 757 . 1 1 65 65 LEU HB3 H 1 1.916 0.020 . . . . . . 577 LEU QB . 30010 1 758 . 1 1 65 65 LEU HD11 H 1 0.957 0.010 . . . . . . 577 LEU QD1 . 30010 1 759 . 1 1 65 65 LEU HD12 H 1 0.957 0.010 . . . . . . 577 LEU QD1 . 30010 1 760 . 1 1 65 65 LEU HD13 H 1 0.957 0.010 . . . . . . 577 LEU QD1 . 30010 1 761 . 1 1 65 65 LEU HD21 H 1 0.964 0.010 . . . . . . 577 LEU QD2 . 30010 1 762 . 1 1 65 65 LEU HD22 H 1 0.964 0.010 . . . . . . 577 LEU QD2 . 30010 1 763 . 1 1 65 65 LEU HD23 H 1 0.964 0.010 . . . . . . 577 LEU QD2 . 30010 1 764 . 1 1 66 66 GLU CA C 13 60.370 0.048 . . . . . . 578 GLU CA . 30010 1 765 . 1 1 66 66 GLU CB C 13 30.129 0.084 . . . . . . 578 GLU CB . 30010 1 766 . 1 1 66 66 GLU CG C 13 37.756 0.057 . . . . . . 578 GLU CG . 30010 1 767 . 1 1 66 66 GLU H H 1 9.315 0.002 . . . . . . 578 GLU H . 30010 1 768 . 1 1 66 66 GLU HA H 1 3.858 0.006 . . . . . . 578 GLU HA . 30010 1 769 . 1 1 66 66 GLU HG2 H 1 2.380 0.005 . . . . . . 578 GLU HG2 . 30010 1 770 . 1 1 66 66 GLU HG3 H 1 2.284 0.017 . . . . . . 578 GLU HG3 . 30010 1 771 . 1 1 66 66 GLU N N 15 113.197 0.012 . . . . . . 578 GLU N . 30010 1 772 . 1 1 66 66 GLU HB2 H 1 2.056 0.002 . . . . . . 578 GLU QB . 30010 1 773 . 1 1 66 66 GLU HB3 H 1 2.056 0.002 . . . . . . 578 GLU QB . 30010 1 774 . 1 1 67 67 LYS CA C 13 57.282 0.040 . . . . . . 579 LYS CA . 30010 1 775 . 1 1 67 67 LYS CB C 13 34.502 0.021 . . . . . . 579 LYS CB . 30010 1 776 . 1 1 67 67 LYS CD C 13 29.719 0.043 . . . . . . 579 LYS CD . 30010 1 777 . 1 1 67 67 LYS CE C 13 43.327 0.000 . . . . . . 579 LYS CE . 30010 1 778 . 1 1 67 67 LYS CG C 13 26.498 0.035 . . . . . . 579 LYS CG . 30010 1 779 . 1 1 67 67 LYS H H 1 7.370 0.004 . . . . . . 579 LYS H . 30010 1 780 . 1 1 67 67 LYS HA H 1 4.466 0.004 . . . . . . 579 LYS HA . 30010 1 781 . 1 1 67 67 LYS HB2 H 1 2.045 0.005 . . . . . . 579 LYS HB2 . 30010 1 782 . 1 1 67 67 LYS HB3 H 1 1.888 0.012 . . . . . . 579 LYS HB3 . 30010 1 783 . 1 1 67 67 LYS HG2 H 1 1.489 0.015 . . . . . . 579 LYS HG2 . 30010 1 784 . 1 1 67 67 LYS HG3 H 1 1.406 0.002 . . . . . . 579 LYS HG3 . 30010 1 785 . 1 1 67 67 LYS N N 15 112.182 0.013 . . . . . . 579 LYS N . 30010 1 786 . 1 1 67 67 LYS HD2 H 1 1.684 0.006 . . . . . . 579 LYS QD . 30010 1 787 . 1 1 67 67 LYS HD3 H 1 1.684 0.006 . . . . . . 579 LYS QD . 30010 1 788 . 1 1 67 67 LYS HE2 H 1 2.993 0.000 . . . . . . 579 LYS QE . 30010 1 789 . 1 1 67 67 LYS HE3 H 1 2.993 0.000 . . . . . . 579 LYS QE . 30010 1 790 . 1 1 68 68 CYS CA C 13 59.188 0.054 . . . . . . 580 CYS CA . 30010 1 791 . 1 1 68 68 CYS CB C 13 30.573 0.030 . . . . . . 580 CYS CB . 30010 1 792 . 1 1 68 68 CYS H H 1 7.666 0.002 . . . . . . 580 CYS H . 30010 1 793 . 1 1 68 68 CYS HA H 1 4.978 0.010 . . . . . . 580 CYS HA . 30010 1 794 . 1 1 68 68 CYS N N 15 111.166 0.019 . . . . . . 580 CYS N . 30010 1 795 . 1 1 68 68 CYS HB2 H 1 2.936 0.012 . . . . . . 580 CYS QB . 30010 1 796 . 1 1 68 68 CYS HB3 H 1 2.936 0.012 . . . . . . 580 CYS QB . 30010 1 797 . 1 1 69 69 ARG CA C 13 56.545 0.083 . . . . . . 581 ARG CA . 30010 1 798 . 1 1 69 69 ARG CB C 13 31.559 0.061 . . . . . . 581 ARG CB . 30010 1 799 . 1 1 69 69 ARG CD C 13 45.260 0.016 . . . . . . 581 ARG CD . 30010 1 800 . 1 1 69 69 ARG CG C 13 27.188 0.075 . . . . . . 581 ARG CG . 30010 1 801 . 1 1 69 69 ARG H H 1 8.053 0.009 . . . . . . 581 ARG H . 30010 1 802 . 1 1 69 69 ARG HA H 1 5.107 0.008 . . . . . . 581 ARG HA . 30010 1 803 . 1 1 69 69 ARG HB2 H 1 1.772 0.001 . . . . . . 581 ARG HB2 . 30010 1 804 . 1 1 69 69 ARG HB3 H 1 1.643 0.012 . . . . . . 581 ARG HB3 . 30010 1 805 . 1 1 69 69 ARG HD2 H 1 3.041 0.003 . . . . . . 581 ARG HD2 . 30010 1 806 . 1 1 69 69 ARG HD3 H 1 2.818 0.001 . . . . . . 581 ARG HD3 . 30010 1 807 . 1 1 69 69 ARG HE H 1 7.469 0.009 . . . . . . 581 ARG HE . 30010 1 808 . 1 1 69 69 ARG HG2 H 1 1.693 0.000 . . . . . . 581 ARG HG2 . 30010 1 809 . 1 1 69 69 ARG HG3 H 1 1.481 0.000 . . . . . . 581 ARG HG3 . 30010 1 810 . 1 1 69 69 ARG N N 15 121.032 0.072 . . . . . . 581 ARG N . 30010 1 811 . 1 1 69 69 ARG NE N 15 85.002 0.682 . . . . . . 581 ARG NE . 30010 1 812 . 1 1 70 70 GLY CA C 13 46.829 0.027 . . . . . . 582 GLY CA . 30010 1 813 . 1 1 70 70 GLY H H 1 9.029 0.006 . . . . . . 582 GLY H . 30010 1 814 . 1 1 70 70 GLY HA2 H 1 4.346 0.006 . . . . . . 582 GLY HA2 . 30010 1 815 . 1 1 70 70 GLY HA3 H 1 3.773 0.003 . . . . . . 582 GLY HA3 . 30010 1 816 . 1 1 70 70 GLY N N 15 107.409 0.026 . . . . . . 582 GLY N . 30010 1 817 . 1 1 71 71 VAL CA C 13 60.627 0.062 . . . . . . 583 VAL CA . 30010 1 818 . 1 1 71 71 VAL CB C 13 35.598 0.022 . . . . . . 583 VAL CB . 30010 1 819 . 1 1 71 71 VAL CG1 C 13 24.796 0.080 . . . . . . 583 VAL CG1 . 30010 1 820 . 1 1 71 71 VAL CG2 C 13 20.582 0.026 . . . . . . 583 VAL CG2 . 30010 1 821 . 1 1 71 71 VAL H H 1 8.780 0.004 . . . . . . 583 VAL H . 30010 1 822 . 1 1 71 71 VAL HA H 1 6.040 0.006 . . . . . . 583 VAL HA . 30010 1 823 . 1 1 71 71 VAL HB H 1 2.489 0.012 . . . . . . 583 VAL HB . 30010 1 824 . 1 1 71 71 VAL N N 15 110.466 0.014 . . . . . . 583 VAL N . 30010 1 825 . 1 1 71 71 VAL HG11 H 1 1.087 0.017 . . . . . . 583 VAL QG1 . 30010 1 826 . 1 1 71 71 VAL HG12 H 1 1.087 0.017 . . . . . . 583 VAL QG1 . 30010 1 827 . 1 1 71 71 VAL HG13 H 1 1.087 0.017 . . . . . . 583 VAL QG1 . 30010 1 828 . 1 1 71 71 VAL HG21 H 1 0.882 0.016 . . . . . . 583 VAL QG2 . 30010 1 829 . 1 1 71 71 VAL HG22 H 1 0.882 0.016 . . . . . . 583 VAL QG2 . 30010 1 830 . 1 1 71 71 VAL HG23 H 1 0.882 0.016 . . . . . . 583 VAL QG2 . 30010 1 831 . 1 1 72 72 PHE CA C 13 55.809 0.026 . . . . . . 584 PHE CA . 30010 1 832 . 1 1 72 72 PHE CB C 13 40.536 0.058 . . . . . . 584 PHE CB . 30010 1 833 . 1 1 72 72 PHE CZ C 13 131.252 0.009 . . . . . . 584 PHE CZ . 30010 1 834 . 1 1 72 72 PHE H H 1 9.207 0.005 . . . . . . 584 PHE H . 30010 1 835 . 1 1 72 72 PHE HA H 1 5.088 0.023 . . . . . . 584 PHE HA . 30010 1 836 . 1 1 72 72 PHE HB3 H 1 2.924 0.006 . . . . . . 584 PHE HB3 . 30010 1 837 . 1 1 72 72 PHE HB2 H 1 2.603 0.007 . . . . . . 584 PHE HB2 . 30010 1 838 . 1 1 72 72 PHE HZ H 1 6.886 0.007 . . . . . . 584 PHE HZ . 30010 1 839 . 1 1 72 72 PHE N N 15 115.871 0.030 . . . . . . 584 PHE N . 30010 1 840 . 1 1 72 72 PHE HD1 H 1 6.985 0.005 . . . . . . 584 PHE QD . 30010 1 841 . 1 1 72 72 PHE HD2 H 1 6.985 0.005 . . . . . . 584 PHE QD . 30010 1 842 . 1 1 72 72 PHE HE1 H 1 6.667 0.002 . . . . . . 584 PHE QE . 30010 1 843 . 1 1 72 72 PHE HE2 H 1 6.667 0.002 . . . . . . 584 PHE QE . 30010 1 844 . 1 1 73 73 PRO CA C 13 61.564 0.037 . . . . . . 585 PRO CA . 30010 1 845 . 1 1 73 73 PRO CB C 13 30.541 0.020 . . . . . . 585 PRO CB . 30010 1 846 . 1 1 73 73 PRO CD C 13 49.546 0.036 . . . . . . 585 PRO CD . 30010 1 847 . 1 1 73 73 PRO CG C 13 28.222 0.022 . . . . . . 585 PRO CG . 30010 1 848 . 1 1 73 73 PRO HA H 1 3.351 0.013 . . . . . . 585 PRO HA . 30010 1 849 . 1 1 73 73 PRO HB2 H 1 1.800 0.008 . . . . . . 585 PRO HB2 . 30010 1 850 . 1 1 73 73 PRO HB3 H 1 0.151 0.004 . . . . . . 585 PRO HB3 . 30010 1 851 . 1 1 73 73 PRO HD2 H 1 2.491 0.013 . . . . . . 585 PRO HD2 . 30010 1 852 . 1 1 73 73 PRO HD3 H 1 2.242 0.010 . . . . . . 585 PRO HD3 . 30010 1 853 . 1 1 73 73 PRO HG2 H 1 1.001 0.011 . . . . . . 585 PRO HG2 . 30010 1 854 . 1 1 73 73 PRO HG3 H 1 0.018 0.007 . . . . . . 585 PRO HG3 . 30010 1 855 . 1 1 74 74 GLU CA C 13 60.550 0.019 . . . . . . 586 GLU CA . 30010 1 856 . 1 1 74 74 GLU CB C 13 30.897 0.011 . . . . . . 586 GLU CB . 30010 1 857 . 1 1 74 74 GLU CG C 13 36.887 0.033 . . . . . . 586 GLU CG . 30010 1 858 . 1 1 74 74 GLU H H 1 8.190 0.002 . . . . . . 586 GLU H . 30010 1 859 . 1 1 74 74 GLU HA H 1 3.581 0.003 . . . . . . 586 GLU HA . 30010 1 860 . 1 1 74 74 GLU HB2 H 1 1.848 0.001 . . . . . . 586 GLU HB2 . 30010 1 861 . 1 1 74 74 GLU HB3 H 1 1.555 0.001 . . . . . . 586 GLU HB3 . 30010 1 862 . 1 1 74 74 GLU HG3 H 1 2.180 0.010 . . . . . . 586 GLU HG3 . 30010 1 863 . 1 1 74 74 GLU HG2 H 1 2.046 0.014 . . . . . . 586 GLU HG2 . 30010 1 864 . 1 1 74 74 GLU N N 15 126.109 0.062 . . . . . . 586 GLU N . 30010 1 865 . 1 1 75 75 ASN CA C 13 55.557 0.033 . . . . . . 587 ASN CA . 30010 1 866 . 1 1 75 75 ASN CB C 13 36.529 0.071 . . . . . . 587 ASN CB . 30010 1 867 . 1 1 75 75 ASN H H 1 9.026 0.005 . . . . . . 587 ASN H . 30010 1 868 . 1 1 75 75 ASN HA H 1 4.542 0.002 . . . . . . 587 ASN HA . 30010 1 869 . 1 1 75 75 ASN HB2 H 1 3.043 0.011 . . . . . . 587 ASN HB2 . 30010 1 870 . 1 1 75 75 ASN HB3 H 1 2.819 0.008 . . . . . . 587 ASN HB3 . 30010 1 871 . 1 1 75 75 ASN HD21 H 1 7.070 0.003 . . . . . . 587 ASN HD21 . 30010 1 872 . 1 1 75 75 ASN HD22 H 1 6.628 0.006 . . . . . . 587 ASN HD22 . 30010 1 873 . 1 1 75 75 ASN N N 15 114.492 0.011 . . . . . . 587 ASN N . 30010 1 874 . 1 1 75 75 ASN ND2 N 15 104.261 0.041 . . . . . . 587 ASN ND2 . 30010 1 875 . 1 1 76 76 PHE CA C 13 60.519 0.015 . . . . . . 588 PHE CA . 30010 1 876 . 1 1 76 76 PHE CB C 13 39.707 0.029 . . . . . . 588 PHE CB . 30010 1 877 . 1 1 76 76 PHE CD1 C 13 132.329 0.048 . . . . . . 588 PHE CD1 . 30010 1 878 . 1 1 76 76 PHE CE1 C 13 131.894 0.071 . . . . . . 588 PHE CE1 . 30010 1 879 . 1 1 76 76 PHE CZ C 13 132.218 0.103 . . . . . . 588 PHE CZ . 30010 1 880 . 1 1 76 76 PHE H H 1 7.771 0.006 . . . . . . 588 PHE H . 30010 1 881 . 1 1 76 76 PHE HA H 1 4.463 0.000 . . . . . . 588 PHE HA . 30010 1 882 . 1 1 76 76 PHE HB3 H 1 3.398 0.006 . . . . . . 588 PHE HB3 . 30010 1 883 . 1 1 76 76 PHE HB2 H 1 3.175 0.012 . . . . . . 588 PHE HB2 . 30010 1 884 . 1 1 76 76 PHE HZ H 1 7.300 0.006 . . . . . . 588 PHE HZ . 30010 1 885 . 1 1 76 76 PHE N N 15 120.100 0.050 . . . . . . 588 PHE N . 30010 1 886 . 1 1 76 76 PHE HD1 H 1 7.307 0.005 . . . . . . 588 PHE QD . 30010 1 887 . 1 1 76 76 PHE HD2 H 1 7.307 0.005 . . . . . . 588 PHE QD . 30010 1 888 . 1 1 76 76 PHE HE1 H 1 7.399 0.004 . . . . . . 588 PHE QE . 30010 1 889 . 1 1 76 76 PHE HE2 H 1 7.399 0.004 . . . . . . 588 PHE QE . 30010 1 890 . 1 1 77 77 THR CA C 13 61.754 0.039 . . . . . . 589 THR CA . 30010 1 891 . 1 1 77 77 THR CB C 13 74.209 0.052 . . . . . . 589 THR CB . 30010 1 892 . 1 1 77 77 THR CG2 C 13 22.497 0.043 . . . . . . 589 THR CG2 . 30010 1 893 . 1 1 77 77 THR H H 1 8.649 0.005 . . . . . . 589 THR H . 30010 1 894 . 1 1 77 77 THR HA H 1 5.362 0.008 . . . . . . 589 THR HA . 30010 1 895 . 1 1 77 77 THR HB H 1 3.838 0.003 . . . . . . 589 THR HB . 30010 1 896 . 1 1 77 77 THR HG1 H 1 5.148 0.003 . . . . . . 589 THR HG1 . 30010 1 897 . 1 1 77 77 THR N N 15 109.412 0.035 . . . . . . 589 THR N . 30010 1 898 . 1 1 77 77 THR HG21 H 1 1.011 0.012 . . . . . . 589 THR QG2 . 30010 1 899 . 1 1 77 77 THR HG22 H 1 1.011 0.012 . . . . . . 589 THR QG2 . 30010 1 900 . 1 1 77 77 THR HG23 H 1 1.011 0.012 . . . . . . 589 THR QG2 . 30010 1 901 . 1 1 78 78 GLU CA C 13 55.464 0.019 . . . . . . 590 GLU CA . 30010 1 902 . 1 1 78 78 GLU CB C 13 35.119 0.027 . . . . . . 590 GLU CB . 30010 1 903 . 1 1 78 78 GLU CG C 13 36.962 0.001 . . . . . . 590 GLU CG . 30010 1 904 . 1 1 78 78 GLU H H 1 8.287 0.003 . . . . . . 590 GLU H . 30010 1 905 . 1 1 78 78 GLU HA H 1 4.813 0.000 . . . . . . 590 GLU HA . 30010 1 906 . 1 1 78 78 GLU HB2 H 1 1.994 0.003 . . . . . . 590 GLU HB2 . 30010 1 907 . 1 1 78 78 GLU HB3 H 1 1.841 0.003 . . . . . . 590 GLU HB3 . 30010 1 908 . 1 1 78 78 GLU N N 15 115.231 0.016 . . . . . . 590 GLU N . 30010 1 909 . 1 1 78 78 GLU HG2 H 1 2.244 0.012 . . . . . . 590 GLU QG . 30010 1 910 . 1 1 78 78 GLU HG3 H 1 2.244 0.012 . . . . . . 590 GLU QG . 30010 1 911 . 1 1 79 79 ARG CA C 13 58.210 0.035 . . . . . . 591 ARG CA . 30010 1 912 . 1 1 79 79 ARG CB C 13 31.336 0.065 . . . . . . 591 ARG CB . 30010 1 913 . 1 1 79 79 ARG CD C 13 43.887 0.003 . . . . . . 591 ARG CD . 30010 1 914 . 1 1 79 79 ARG CG C 13 28.383 0.056 . . . . . . 591 ARG CG . 30010 1 915 . 1 1 79 79 ARG H H 1 8.876 0.004 . . . . . . 591 ARG H . 30010 1 916 . 1 1 79 79 ARG HA H 1 4.568 0.002 . . . . . . 591 ARG HA . 30010 1 917 . 1 1 79 79 ARG HB2 H 1 1.773 0.004 . . . . . . 591 ARG HB2 . 30010 1 918 . 1 1 79 79 ARG HB3 H 1 1.676 0.004 . . . . . . 591 ARG HB3 . 30010 1 919 . 1 1 79 79 ARG HE H 1 6.875 0.025 . . . . . . 591 ARG HE . 30010 1 920 . 1 1 79 79 ARG HG2 H 1 1.606 0.006 . . . . . . 591 ARG HG2 . 30010 1 921 . 1 1 79 79 ARG HG3 H 1 1.514 0.007 . . . . . . 591 ARG HG3 . 30010 1 922 . 1 1 79 79 ARG N N 15 122.259 0.011 . . . . . . 591 ARG N . 30010 1 923 . 1 1 79 79 ARG NE N 15 83.946 0.813 . . . . . . 591 ARG NE . 30010 1 924 . 1 1 79 79 ARG HD2 H 1 2.689 0.007 . . . . . . 591 ARG QD . 30010 1 925 . 1 1 79 79 ARG HD3 H 1 2.689 0.007 . . . . . . 591 ARG QD . 30010 1 926 . 1 1 80 80 VAL CA C 13 60.036 0.037 . . . . . . 592 VAL CA . 30010 1 927 . 1 1 80 80 VAL CB C 13 34.392 0.003 . . . . . . 592 VAL CB . 30010 1 928 . 1 1 80 80 VAL CG1 C 13 22.546 0.009 . . . . . . 592 VAL CG1 . 30010 1 929 . 1 1 80 80 VAL CG2 C 13 21.117 0.010 . . . . . . 592 VAL CG2 . 30010 1 930 . 1 1 80 80 VAL H H 1 8.037 0.006 . . . . . . 592 VAL H . 30010 1 931 . 1 1 80 80 VAL HA H 1 4.611 0.013 . . . . . . 592 VAL HA . 30010 1 932 . 1 1 80 80 VAL HB H 1 2.119 0.006 . . . . . . 592 VAL HB . 30010 1 933 . 1 1 80 80 VAL N N 15 120.973 0.039 . . . . . . 592 VAL N . 30010 1 934 . 1 1 80 80 VAL HG11 H 1 1.000 0.001 . . . . . . 592 VAL QG1 . 30010 1 935 . 1 1 80 80 VAL HG12 H 1 1.000 0.001 . . . . . . 592 VAL QG1 . 30010 1 936 . 1 1 80 80 VAL HG13 H 1 1.000 0.001 . . . . . . 592 VAL QG1 . 30010 1 937 . 1 1 80 80 VAL HG21 H 1 0.815 0.007 . . . . . . 592 VAL QG2 . 30010 1 938 . 1 1 80 80 VAL HG22 H 1 0.815 0.007 . . . . . . 592 VAL QG2 . 30010 1 939 . 1 1 80 80 VAL HG23 H 1 0.815 0.007 . . . . . . 592 VAL QG2 . 30010 1 940 . 1 1 81 81 PRO CA C 13 65.750 0.019 . . . . . . 593 PRO CA . 30010 1 941 . 1 1 81 81 PRO CB C 13 33.217 0.049 . . . . . . 593 PRO CB . 30010 1 942 . 1 1 81 81 PRO CD C 13 51.680 0.027 . . . . . . 593 PRO CD . 30010 1 943 . 1 1 81 81 PRO CG C 13 28.370 0.007 . . . . . . 593 PRO CG . 30010 1 944 . 1 1 81 81 PRO HA H 1 4.276 0.002 . . . . . . 593 PRO HA . 30010 1 945 . 1 1 81 81 PRO HB2 H 1 2.240 0.002 . . . . . . 593 PRO HB2 . 30010 1 946 . 1 1 81 81 PRO HB3 H 1 1.891 0.004 . . . . . . 593 PRO HB3 . 30010 1 947 . 1 1 81 81 PRO HD3 H 1 3.812 0.005 . . . . . . 593 PRO HD3 . 30010 1 948 . 1 1 81 81 PRO HD2 H 1 3.683 0.010 . . . . . . 593 PRO HD2 . 30010 1 949 . 1 1 81 81 PRO HG2 H 1 2.023 0.009 . . . . . . 593 PRO HG2 . 30010 1 950 . 1 1 81 81 PRO HG3 H 1 1.937 0.008 . . . . . . 593 PRO HG3 . 30010 1 951 . 2 2 1 1 SER CA C 13 59.346 0.015 . . . . . . 1728 SER CA . 30010 1 952 . 2 2 1 1 SER CB C 13 64.977 0.049 . . . . . . 1728 SER CB . 30010 1 953 . 2 2 1 1 SER HA H 1 4.565 0.001 . . . . . . 1728 SER HA . 30010 1 954 . 2 2 1 1 SER HB2 H 1 3.885 0.004 . . . . . . 1728 SER QB . 30010 1 955 . 2 2 1 1 SER HB3 H 1 3.885 0.004 . . . . . . 1728 SER QB . 30010 1 956 . 2 2 2 2 THR CA C 13 62.786 0.026 . . . . . . 1729 THR CA . 30010 1 957 . 2 2 2 2 THR CB C 13 70.777 0.035 . . . . . . 1729 THR CB . 30010 1 958 . 2 2 2 2 THR CG2 C 13 22.702 0.049 . . . . . . 1729 THR CG2 . 30010 1 959 . 2 2 2 2 THR H H 1 8.233 0.001 . . . . . . 1729 THR H . 30010 1 960 . 2 2 2 2 THR HA H 1 4.317 0.002 . . . . . . 1729 THR HA . 30010 1 961 . 2 2 2 2 THR HB H 1 4.109 0.001 . . . . . . 1729 THR HB . 30010 1 962 . 2 2 2 2 THR N N 15 114.998 0.011 . . . . . . 1729 THR N . 30010 1 963 . 2 2 2 2 THR HG21 H 1 1.133 0.008 . . . . . . 1729 THR QG2 . 30010 1 964 . 2 2 2 2 THR HG22 H 1 1.133 0.008 . . . . . . 1729 THR QG2 . 30010 1 965 . 2 2 2 2 THR HG23 H 1 1.133 0.008 . . . . . . 1729 THR QG2 . 30010 1 966 . 2 2 3 3 VAL CA C 13 60.793 0.024 . . . . . . 1730 VAL CA . 30010 1 967 . 2 2 3 3 VAL CB C 13 33.534 0.010 . . . . . . 1730 VAL CB . 30010 1 968 . 2 2 3 3 VAL CG2 C 13 21.808 0.000 . . . . . . 1730 VAL CG2 . 30010 1 969 . 2 2 3 3 VAL H H 1 8.070 0.003 . . . . . . 1730 VAL H . 30010 1 970 . 2 2 3 3 VAL HA H 1 3.700 0.004 . . . . . . 1730 VAL HA . 30010 1 971 . 2 2 3 3 VAL HB H 1 1.839 0.000 . . . . . . 1730 VAL HB . 30010 1 972 . 2 2 3 3 VAL N N 15 123.051 0.018 . . . . . . 1730 VAL N . 30010 1 973 . 2 2 3 3 VAL HG11 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 974 . 2 2 3 3 VAL HG12 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 975 . 2 2 3 3 VAL HG13 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 976 . 2 2 3 3 VAL HG21 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 977 . 2 2 3 3 VAL HG22 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 978 . 2 2 3 3 VAL HG23 H 1 0.908 0.004 . . . . . . 1730 VAL QQG . 30010 1 979 . 2 2 4 4 PRO CA C 13 63.120 0.049 . . . . . . 1731 PRO CA . 30010 1 980 . 2 2 4 4 PRO CB C 13 32.811 0.030 . . . . . . 1731 PRO CB . 30010 1 981 . 2 2 4 4 PRO CD C 13 50.875 0.017 . . . . . . 1731 PRO CD . 30010 1 982 . 2 2 4 4 PRO CG C 13 27.114 0.045 . . . . . . 1731 PRO CG . 30010 1 983 . 2 2 4 4 PRO HA H 1 4.176 0.003 . . . . . . 1731 PRO HA . 30010 1 984 . 2 2 4 4 PRO HB3 H 1 1.677 0.010 . . . . . . 1731 PRO HB3 . 30010 1 985 . 2 2 4 4 PRO HB2 H 1 1.082 0.009 . . . . . . 1731 PRO HB2 . 30010 1 986 . 2 2 4 4 PRO HD3 H 1 2.650 0.004 . . . . . . 1731 PRO HD3 . 30010 1 987 . 2 2 4 4 PRO HD2 H 1 2.199 0.008 . . . . . . 1731 PRO HD2 . 30010 1 988 . 2 2 4 4 PRO HG2 H 1 1.064 0.003 . . . . . . 1731 PRO HG2 . 30010 1 989 . 2 2 4 4 PRO HG3 H 1 0.497 0.000 . . . . . . 1731 PRO HG3 . 30010 1 990 . 2 2 5 5 VAL CA C 13 61.976 0.046 . . . . . . 1732 VAL CA . 30010 1 991 . 2 2 5 5 VAL CB C 13 34.663 0.039 . . . . . . 1732 VAL CB . 30010 1 992 . 2 2 5 5 VAL CG1 C 13 22.083 0.017 . . . . . . 1732 VAL CG1 . 30010 1 993 . 2 2 5 5 VAL CG2 C 13 22.033 0.012 . . . . . . 1732 VAL CG2 . 30010 1 994 . 2 2 5 5 VAL H H 1 7.913 0.003 . . . . . . 1732 VAL H . 30010 1 995 . 2 2 5 5 VAL HA H 1 4.226 0.005 . . . . . . 1732 VAL HA . 30010 1 996 . 2 2 5 5 VAL HB H 1 1.873 0.006 . . . . . . 1732 VAL HB . 30010 1 997 . 2 2 5 5 VAL N N 15 115.904 0.014 . . . . . . 1732 VAL N . 30010 1 998 . 2 2 5 5 VAL HG11 H 1 0.983 0.014 . . . . . . 1732 VAL QG1 . 30010 1 999 . 2 2 5 5 VAL HG12 H 1 0.983 0.014 . . . . . . 1732 VAL QG1 . 30010 1 1000 . 2 2 5 5 VAL HG13 H 1 0.983 0.014 . . . . . . 1732 VAL QG1 . 30010 1 1001 . 2 2 5 5 VAL HG21 H 1 0.926 0.003 . . . . . . 1732 VAL QG2 . 30010 1 1002 . 2 2 5 5 VAL HG22 H 1 0.926 0.003 . . . . . . 1732 VAL QG2 . 30010 1 1003 . 2 2 5 5 VAL HG23 H 1 0.926 0.003 . . . . . . 1732 VAL QG2 . 30010 1 1004 . 2 2 6 6 ALA CA C 13 51.926 0.035 . . . . . . 1733 ALA CA . 30010 1 1005 . 2 2 6 6 ALA CB C 13 18.503 0.024 . . . . . . 1733 ALA CB . 30010 1 1006 . 2 2 6 6 ALA H H 1 9.383 0.004 . . . . . . 1733 ALA H . 30010 1 1007 . 2 2 6 6 ALA HA H 1 4.618 0.000 . . . . . . 1733 ALA HA . 30010 1 1008 . 2 2 6 6 ALA N N 15 131.745 0.024 . . . . . . 1733 ALA N . 30010 1 1009 . 2 2 6 6 ALA HB1 H 1 1.416 0.008 . . . . . . 1733 ALA QB . 30010 1 1010 . 2 2 6 6 ALA HB2 H 1 1.416 0.008 . . . . . . 1733 ALA QB . 30010 1 1011 . 2 2 6 6 ALA HB3 H 1 1.416 0.008 . . . . . . 1733 ALA QB . 30010 1 1012 . 2 2 7 7 PRO CA C 13 62.494 0.043 . . . . . . 1734 PRO CA . 30010 1 1013 . 2 2 7 7 PRO CB C 13 31.452 0.029 . . . . . . 1734 PRO CB . 30010 1 1014 . 2 2 7 7 PRO CD C 13 51.487 0.001 . . . . . . 1734 PRO CD . 30010 1 1015 . 2 2 7 7 PRO CG C 13 28.870 0.006 . . . . . . 1734 PRO CG . 30010 1 1016 . 2 2 7 7 PRO HA H 1 4.896 0.016 . . . . . . 1734 PRO HA . 30010 1 1017 . 2 2 7 7 PRO HB3 H 1 2.593 0.006 . . . . . . 1734 PRO HB3 . 30010 1 1018 . 2 2 7 7 PRO HB2 H 1 2.240 0.013 . . . . . . 1734 PRO HB2 . 30010 1 1019 . 2 2 7 7 PRO HD3 H 1 3.974 0.003 . . . . . . 1734 PRO HD3 . 30010 1 1020 . 2 2 7 7 PRO HD2 H 1 2.979 0.007 . . . . . . 1734 PRO HD2 . 30010 1 1021 . 2 2 7 7 PRO HG2 H 1 2.032 0.004 . . . . . . 1734 PRO HG2 . 30010 1 1022 . 2 2 7 7 PRO HG3 H 1 1.971 0.000 . . . . . . 1734 PRO HG3 . 30010 1 1023 . 2 2 8 8 PRO CA C 13 64.258 0.025 . . . . . . 1735 PRO CA . 30010 1 1024 . 2 2 8 8 PRO CB C 13 33.705 0.012 . . . . . . 1735 PRO CB . 30010 1 1025 . 2 2 8 8 PRO CD C 13 51.384 0.025 . . . . . . 1735 PRO CD . 30010 1 1026 . 2 2 8 8 PRO CG C 13 28.408 0.008 . . . . . . 1735 PRO CG . 30010 1 1027 . 2 2 8 8 PRO HA H 1 4.534 0.008 . . . . . . 1735 PRO HA . 30010 1 1028 . 2 2 8 8 PRO HB2 H 1 2.350 0.005 . . . . . . 1735 PRO HB2 . 30010 1 1029 . 2 2 8 8 PRO HB3 H 1 1.828 0.007 . . . . . . 1735 PRO HB3 . 30010 1 1030 . 2 2 8 8 PRO HD2 H 1 3.899 0.006 . . . . . . 1735 PRO HD2 . 30010 1 1031 . 2 2 8 8 PRO HD3 H 1 3.712 0.008 . . . . . . 1735 PRO HD3 . 30010 1 1032 . 2 2 8 8 PRO HG2 H 1 2.066 0.000 . . . . . . 1735 PRO HG2 . 30010 1 1033 . 2 2 8 8 PRO HG3 H 1 2.038 0.000 . . . . . . 1735 PRO HG3 . 30010 1 1034 . 2 2 9 9 ARG CA C 13 56.033 0.030 . . . . . . 1736 ARG CA . 30010 1 1035 . 2 2 9 9 ARG CB C 13 33.743 0.010 . . . . . . 1736 ARG CB . 30010 1 1036 . 2 2 9 9 ARG CD C 13 43.259 0.024 . . . . . . 1736 ARG CD . 30010 1 1037 . 2 2 9 9 ARG CG C 13 27.439 0.043 . . . . . . 1736 ARG CG . 30010 1 1038 . 2 2 9 9 ARG H H 1 8.162 0.010 . . . . . . 1736 ARG H . 30010 1 1039 . 2 2 9 9 ARG HA H 1 4.172 0.013 . . . . . . 1736 ARG HA . 30010 1 1040 . 2 2 9 9 ARG HB2 H 1 1.305 0.008 . . . . . . 1736 ARG HB2 . 30010 1 1041 . 2 2 9 9 ARG HB3 H 1 1.074 0.007 . . . . . . 1736 ARG HB3 . 30010 1 1042 . 2 2 9 9 ARG HD2 H 1 1.944 0.007 . . . . . . 1736 ARG HD2 . 30010 1 1043 . 2 2 9 9 ARG HD3 H 1 0.681 0.009 . . . . . . 1736 ARG HD3 . 30010 1 1044 . 2 2 9 9 ARG HE H 1 6.077 0.001 . . . . . . 1736 ARG HE . 30010 1 1045 . 2 2 9 9 ARG HG2 H 1 0.913 0.012 . . . . . . 1736 ARG HG2 . 30010 1 1046 . 2 2 9 9 ARG HG3 H 1 0.055 0.006 . . . . . . 1736 ARG HG3 . 30010 1 1047 . 2 2 9 9 ARG N N 15 116.732 0.023 . . . . . . 1736 ARG N . 30010 1 1048 . 2 2 9 9 ARG NE N 15 82.046 0.447 . . . . . . 1736 ARG NE . 30010 1 1049 . 2 2 10 10 ARG CA C 13 58.001 0.040 . . . . . . 1737 ARG CA . 30010 1 1050 . 2 2 10 10 ARG CB C 13 31.259 0.028 . . . . . . 1737 ARG CB . 30010 1 1051 . 2 2 10 10 ARG CD C 13 44.431 0.005 . . . . . . 1737 ARG CD . 30010 1 1052 . 2 2 10 10 ARG CG C 13 28.074 0.002 . . . . . . 1737 ARG CG . 30010 1 1053 . 2 2 10 10 ARG H H 1 8.479 0.006 . . . . . . 1737 ARG H . 30010 1 1054 . 2 2 10 10 ARG HA H 1 4.119 0.013 . . . . . . 1737 ARG HA . 30010 1 1055 . 2 2 10 10 ARG HE H 1 7.408 0.001 . . . . . . 1737 ARG HE . 30010 1 1056 . 2 2 10 10 ARG N N 15 121.035 0.026 . . . . . . 1737 ARG N . 30010 1 1057 . 2 2 10 10 ARG NE N 15 85.088 0.011 . . . . . . 1737 ARG NE . 30010 1 1058 . 2 2 10 10 ARG HB2 H 1 1.756 0.012 . . . . . . 1737 ARG QB . 30010 1 1059 . 2 2 10 10 ARG HB3 H 1 1.756 0.012 . . . . . . 1737 ARG QB . 30010 1 1060 . 2 2 10 10 ARG HD2 H 1 3.133 0.006 . . . . . . 1737 ARG QD . 30010 1 1061 . 2 2 10 10 ARG HD3 H 1 3.133 0.006 . . . . . . 1737 ARG QD . 30010 1 1062 . 2 2 10 10 ARG HG2 H 1 1.586 0.013 . . . . . . 1737 ARG QG . 30010 1 1063 . 2 2 10 10 ARG HG3 H 1 1.586 0.013 . . . . . . 1737 ARG QG . 30010 1 1064 . 2 2 11 11 ARG CA C 13 57.194 0.029 . . . . . . 1738 ARG CA . 30010 1 1065 . 2 2 11 11 ARG CB C 13 31.193 0.068 . . . . . . 1738 ARG CB . 30010 1 1066 . 2 2 11 11 ARG CD C 13 44.233 0.022 . . . . . . 1738 ARG CD . 30010 1 1067 . 2 2 11 11 ARG CG C 13 28.342 0.000 . . . . . . 1738 ARG CG . 30010 1 1068 . 2 2 11 11 ARG H H 1 8.535 0.007 . . . . . . 1738 ARG H . 30010 1 1069 . 2 2 11 11 ARG HA H 1 4.213 0.010 . . . . . . 1738 ARG HA . 30010 1 1070 . 2 2 11 11 ARG HB2 H 1 1.760 0.000 . . . . . . 1738 ARG HB2 . 30010 1 1071 . 2 2 11 11 ARG HB3 H 1 1.668 0.007 . . . . . . 1738 ARG HB3 . 30010 1 1072 . 2 2 11 11 ARG HE H 1 7.116 0.000 . . . . . . 1738 ARG HE . 30010 1 1073 . 2 2 11 11 ARG N N 15 119.265 0.013 . . . . . . 1738 ARG N . 30010 1 1074 . 2 2 11 11 ARG NE N 15 84.757 0.000 . . . . . . 1738 ARG NE . 30010 1 1075 . 2 2 11 11 ARG HD2 H 1 3.081 0.011 . . . . . . 1738 ARG QD . 30010 1 1076 . 2 2 11 11 ARG HD3 H 1 3.081 0.011 . . . . . . 1738 ARG QD . 30010 1 1077 . 2 2 11 11 ARG HG2 H 1 1.479 0.000 . . . . . . 1738 ARG QG . 30010 1 1078 . 2 2 11 11 ARG HG3 H 1 1.479 0.000 . . . . . . 1738 ARG QG . 30010 1 1079 . 2 2 12 12 ARG CA C 13 57.236 0.022 . . . . . . 1739 ARG CA . 30010 1 1080 . 2 2 12 12 ARG CB C 13 31.938 0.013 . . . . . . 1739 ARG CB . 30010 1 1081 . 2 2 12 12 ARG CD C 13 44.306 0.033 . . . . . . 1739 ARG CD . 30010 1 1082 . 2 2 12 12 ARG CG C 13 28.363 0.016 . . . . . . 1739 ARG CG . 30010 1 1083 . 2 2 12 12 ARG H H 1 8.293 0.008 . . . . . . 1739 ARG H . 30010 1 1084 . 2 2 12 12 ARG HA H 1 4.259 0.009 . . . . . . 1739 ARG HA . 30010 1 1085 . 2 2 12 12 ARG HB2 H 1 1.790 0.009 . . . . . . 1739 ARG HB2 . 30010 1 1086 . 2 2 12 12 ARG HB3 H 1 1.694 0.004 . . . . . . 1739 ARG HB3 . 30010 1 1087 . 2 2 12 12 ARG HE H 1 7.246 0.000 . . . . . . 1739 ARG HE . 30010 1 1088 . 2 2 12 12 ARG N N 15 120.055 0.039 . . . . . . 1739 ARG N . 30010 1 1089 . 2 2 12 12 ARG NE N 15 84.685 0.000 . . . . . . 1739 ARG NE . 30010 1 1090 . 2 2 12 12 ARG HD2 H 1 3.121 0.011 . . . . . . 1739 ARG QD . 30010 1 1091 . 2 2 12 12 ARG HD3 H 1 3.121 0.011 . . . . . . 1739 ARG QD . 30010 1 1092 . 2 2 12 12 ARG HG2 H 1 1.541 0.009 . . . . . . 1739 ARG QG . 30010 1 1093 . 2 2 12 12 ARG HG3 H 1 1.541 0.009 . . . . . . 1739 ARG QG . 30010 1 1094 . 2 2 13 13 GLY CA C 13 46.456 0.031 . . . . . . 1740 GLY CA . 30010 1 1095 . 2 2 13 13 GLY H H 1 8.476 0.003 . . . . . . 1740 GLY H . 30010 1 1096 . 2 2 13 13 GLY N N 15 108.057 0.039 . . . . . . 1740 GLY N . 30010 1 1097 . 2 2 13 13 GLY HA2 H 1 3.906 0.007 . . . . . . 1740 GLY QA . 30010 1 1098 . 2 2 13 13 GLY HA3 H 1 3.906 0.007 . . . . . . 1740 GLY QA . 30010 1 1099 . 2 2 14 14 ARG CA C 13 56.953 0.026 . . . . . . 1741 ARG CA . 30010 1 1100 . 2 2 14 14 ARG CB C 13 31.889 0.030 . . . . . . 1741 ARG CB . 30010 1 1101 . 2 2 14 14 ARG CD C 13 44.359 0.009 . . . . . . 1741 ARG CD . 30010 1 1102 . 2 2 14 14 ARG CG C 13 28.019 0.066 . . . . . . 1741 ARG CG . 30010 1 1103 . 2 2 14 14 ARG H H 1 8.135 0.009 . . . . . . 1741 ARG H . 30010 1 1104 . 2 2 14 14 ARG HA H 1 4.313 0.004 . . . . . . 1741 ARG HA . 30010 1 1105 . 2 2 14 14 ARG HB2 H 1 1.818 0.007 . . . . . . 1741 ARG HB2 . 30010 1 1106 . 2 2 14 14 ARG HB3 H 1 1.706 0.008 . . . . . . 1741 ARG HB3 . 30010 1 1107 . 2 2 14 14 ARG N N 15 118.432 0.022 . . . . . . 1741 ARG N . 30010 1 1108 . 2 2 14 14 ARG HD2 H 1 3.157 0.007 . . . . . . 1741 ARG QD . 30010 1 1109 . 2 2 14 14 ARG HD3 H 1 3.157 0.007 . . . . . . 1741 ARG QD . 30010 1 1110 . 2 2 14 14 ARG HG2 H 1 1.566 0.010 . . . . . . 1741 ARG QG . 30010 1 1111 . 2 2 14 14 ARG HG3 H 1 1.566 0.010 . . . . . . 1741 ARG QG . 30010 1 1112 . 2 2 15 15 ASN CA C 13 54.387 0.026 . . . . . . 1742 ASN CA . 30010 1 1113 . 2 2 15 15 ASN CB C 13 39.739 0.032 . . . . . . 1742 ASN CB . 30010 1 1114 . 2 2 15 15 ASN H H 1 8.531 0.003 . . . . . . 1742 ASN H . 30010 1 1115 . 2 2 15 15 ASN HA H 1 4.679 0.007 . . . . . . 1742 ASN HA . 30010 1 1116 . 2 2 15 15 ASN HB2 H 1 2.843 0.008 . . . . . . 1742 ASN HB2 . 30010 1 1117 . 2 2 15 15 ASN HB3 H 1 2.725 0.006 . . . . . . 1742 ASN HB3 . 30010 1 1118 . 2 2 15 15 ASN HD21 H 1 7.610 0.005 . . . . . . 1742 ASN HD21 . 30010 1 1119 . 2 2 15 15 ASN HD22 H 1 6.900 0.000 . . . . . . 1742 ASN HD22 . 30010 1 1120 . 2 2 15 15 ASN N N 15 117.838 0.021 . . . . . . 1742 ASN N . 30010 1 1121 . 2 2 15 15 ASN ND2 N 15 111.512 0.046 . . . . . . 1742 ASN ND2 . 30010 1 1122 . 2 2 16 16 LEU CA C 13 56.425 0.015 . . . . . . 1743 LEU CA . 30010 1 1123 . 2 2 16 16 LEU CB C 13 43.340 0.018 . . . . . . 1743 LEU CB . 30010 1 1124 . 2 2 16 16 LEU CD1 C 13 26.087 0.000 . . . . . . 1743 LEU CD1 . 30010 1 1125 . 2 2 16 16 LEU CD2 C 13 24.158 0.000 . . . . . . 1743 LEU CD2 . 30010 1 1126 . 2 2 16 16 LEU CG C 13 27.910 0.000 . . . . . . 1743 LEU CG . 30010 1 1127 . 2 2 16 16 LEU H H 1 8.291 0.004 . . . . . . 1743 LEU H . 30010 1 1128 . 2 2 16 16 LEU HA H 1 4.378 0.008 . . . . . . 1743 LEU HA . 30010 1 1129 . 2 2 16 16 LEU N N 15 121.186 0.027 . . . . . . 1743 LEU N . 30010 1 1130 . 2 2 16 16 LEU HB2 H 1 1.630 0.004 . . . . . . 1743 LEU QB . 30010 1 1131 . 2 2 16 16 LEU HB3 H 1 1.630 0.004 . . . . . . 1743 LEU QB . 30010 1 1132 . 2 2 16 16 LEU HD11 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1133 . 2 2 16 16 LEU HD12 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1134 . 2 2 16 16 LEU HD13 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1135 . 2 2 16 16 LEU HD21 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1136 . 2 2 16 16 LEU HD22 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1137 . 2 2 16 16 LEU HD23 H 1 0.858 0.000 . . . . . . 1743 LEU QQD . 30010 1 1138 . 2 2 17 17 THR CA C 13 64.088 0.014 . . . . . . 1744 THR CA . 30010 1 1139 . 2 2 17 17 THR CB C 13 71.807 0.023 . . . . . . 1744 THR CB . 30010 1 1140 . 2 2 17 17 THR H H 1 7.695 0.003 . . . . . . 1744 THR H . 30010 1 1141 . 2 2 17 17 THR HA H 1 4.125 0.000 . . . . . . 1744 THR HA . 30010 1 1142 . 2 2 17 17 THR HB H 1 4.212 0.009 . . . . . . 1744 THR HB . 30010 1 1143 . 2 2 17 17 THR N N 15 117.504 0.007 . . . . . . 1744 THR N . 30010 1 stop_ save_