data_19187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19187 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the C-terminus of the minichromosome maintenance protein MCM from Methanothermobacter thermautotrophicus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-24 _Entry.Accession_date 2013-04-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christoph Wiedemann . . . 19187 2 Oliver Ohlenschlager . . . 19187 3 Barbara Medagli . . . 19187 4 Silvia Onesti . . . 19187 5 Matthias Gorlach . . . 19187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 19187 '15N chemical shifts' 83 19187 '1H chemical shifts' 645 19187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2013-04-24 update BMRB 'update entry citation' 19187 1 . . 2013-09-30 2013-04-24 original author 'original release' 19187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MA3 'BMRB Entry Tracking System' 19187 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23934138 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C chemical shift assignments for the winged helix domains of two archeal MCM C-termini.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christoph Wiedemann . . . 19187 1 2 Oliver Ohlenschlager . . . 19187 1 3 Barbara Medagli . . . 19187 1 4 Silvia Onesti . . . 19187 1 5 Matthias Gorlach . . . 19187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19187 _Assembly.ID 1 _Assembly.Name 'Methanothermobacter thermautotrophicus MCM C-terminus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Methanothermobacter thermautotrophicus MCM C-terminus' 1 $C-terminus_MCM A . yes native no no . . . 19187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-terminus_MCM _Entity.Sf_category entity _Entity.Sf_framecode C-terminus_MCM _Entity.Entry_ID 19187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-terminus_MCM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGETGKIDIDKVEGRTPK SERDKFRLLLELIKEYEDDY GGRAPTNILITEMMDRYNVS EEKVEELIRILKDKGAIFEP ARGYLKIV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProtKB O27798 . O27798_METTH . . . . . . . . . . . . . . 19187 1 2 no PDB 2MA3 . "Nmr Solution Structure Of The C-terminus Of The Minichromosome Maintenance Protein Mcm From Methanothermobacter Thermautotrophi" . . . . . 100.00 88 100.00 100.00 2.40e-53 . . . . 19187 1 3 no GB AAB86236 . "DNA replication initiator (Cdc21/Cdc54) [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 95.45 666 100.00 100.00 1.71e-46 . . . . 19187 1 4 no REF WP_048061327 . "ATPase AAA [Methanothermobacter thermautotrophicus]" . . . . . 95.45 665 100.00 100.00 1.53e-46 . . . . 19187 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 1 579 GLY . 19187 1 2 580 ALA . 19187 1 3 581 MET . 19187 1 4 582 GLY . 19187 1 5 583 GLU . 19187 1 6 584 THR . 19187 1 7 585 GLY . 19187 1 8 586 LYS . 19187 1 9 587 ILE . 19187 1 10 588 ASP . 19187 1 11 589 ILE . 19187 1 12 590 ASP . 19187 1 13 591 LYS . 19187 1 14 592 VAL . 19187 1 15 593 GLU . 19187 1 16 594 GLY . 19187 1 17 595 ARG . 19187 1 18 596 THR . 19187 1 19 597 PRO . 19187 1 20 598 LYS . 19187 1 21 599 SER . 19187 1 22 600 GLU . 19187 1 23 601 ARG . 19187 1 24 602 ASP . 19187 1 25 603 LYS . 19187 1 26 604 PHE . 19187 1 27 605 ARG . 19187 1 28 606 LEU . 19187 1 29 607 LEU . 19187 1 30 608 LEU . 19187 1 31 609 GLU . 19187 1 32 610 LEU . 19187 1 33 611 ILE . 19187 1 34 612 LYS . 19187 1 35 613 GLU . 19187 1 36 614 TYR . 19187 1 37 615 GLU . 19187 1 38 616 ASP . 19187 1 39 617 ASP . 19187 1 40 618 TYR . 19187 1 41 619 GLY . 19187 1 42 620 GLY . 19187 1 43 621 ARG . 19187 1 44 622 ALA . 19187 1 45 623 PRO . 19187 1 46 624 THR . 19187 1 47 625 ASN . 19187 1 48 626 ILE . 19187 1 49 627 LEU . 19187 1 50 628 ILE . 19187 1 51 629 THR . 19187 1 52 630 GLU . 19187 1 53 631 MET . 19187 1 54 632 MET . 19187 1 55 633 ASP . 19187 1 56 634 ARG . 19187 1 57 635 TYR . 19187 1 58 636 ASN . 19187 1 59 637 VAL . 19187 1 60 638 SER . 19187 1 61 639 GLU . 19187 1 62 640 GLU . 19187 1 63 641 LYS . 19187 1 64 642 VAL . 19187 1 65 643 GLU . 19187 1 66 644 GLU . 19187 1 67 645 LEU . 19187 1 68 646 ILE . 19187 1 69 647 ARG . 19187 1 70 648 ILE . 19187 1 71 649 LEU . 19187 1 72 650 LYS . 19187 1 73 651 ASP . 19187 1 74 652 LYS . 19187 1 75 653 GLY . 19187 1 76 654 ALA . 19187 1 77 655 ILE . 19187 1 78 656 PHE . 19187 1 79 657 GLU . 19187 1 80 658 PRO . 19187 1 81 659 ALA . 19187 1 82 660 ARG . 19187 1 83 661 GLY . 19187 1 84 662 TYR . 19187 1 85 663 LEU . 19187 1 86 664 LYS . 19187 1 87 665 ILE . 19187 1 88 666 VAL . 19187 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 19187 1 . ALA 2 2 19187 1 . MET 3 3 19187 1 . GLY 4 4 19187 1 . GLU 5 5 19187 1 . THR 6 6 19187 1 . GLY 7 7 19187 1 . LYS 8 8 19187 1 . ILE 9 9 19187 1 . ASP 10 10 19187 1 . ILE 11 11 19187 1 . ASP 12 12 19187 1 . LYS 13 13 19187 1 . VAL 14 14 19187 1 . GLU 15 15 19187 1 . GLY 16 16 19187 1 . ARG 17 17 19187 1 . THR 18 18 19187 1 . PRO 19 19 19187 1 . LYS 20 20 19187 1 . SER 21 21 19187 1 . GLU 22 22 19187 1 . ARG 23 23 19187 1 . ASP 24 24 19187 1 . LYS 25 25 19187 1 . PHE 26 26 19187 1 . ARG 27 27 19187 1 . LEU 28 28 19187 1 . LEU 29 29 19187 1 . LEU 30 30 19187 1 . GLU 31 31 19187 1 . LEU 32 32 19187 1 . ILE 33 33 19187 1 . LYS 34 34 19187 1 . GLU 35 35 19187 1 . TYR 36 36 19187 1 . GLU 37 37 19187 1 . ASP 38 38 19187 1 . ASP 39 39 19187 1 . TYR 40 40 19187 1 . GLY 41 41 19187 1 . GLY 42 42 19187 1 . ARG 43 43 19187 1 . ALA 44 44 19187 1 . PRO 45 45 19187 1 . THR 46 46 19187 1 . ASN 47 47 19187 1 . ILE 48 48 19187 1 . LEU 49 49 19187 1 . ILE 50 50 19187 1 . THR 51 51 19187 1 . GLU 52 52 19187 1 . MET 53 53 19187 1 . MET 54 54 19187 1 . ASP 55 55 19187 1 . ARG 56 56 19187 1 . TYR 57 57 19187 1 . ASN 58 58 19187 1 . VAL 59 59 19187 1 . SER 60 60 19187 1 . GLU 61 61 19187 1 . GLU 62 62 19187 1 . LYS 63 63 19187 1 . VAL 64 64 19187 1 . GLU 65 65 19187 1 . GLU 66 66 19187 1 . LEU 67 67 19187 1 . ILE 68 68 19187 1 . ARG 69 69 19187 1 . ILE 70 70 19187 1 . LEU 71 71 19187 1 . LYS 72 72 19187 1 . ASP 73 73 19187 1 . LYS 74 74 19187 1 . GLY 75 75 19187 1 . ALA 76 76 19187 1 . ILE 77 77 19187 1 . PHE 78 78 19187 1 . GLU 79 79 19187 1 . PRO 80 80 19187 1 . ALA 81 81 19187 1 . ARG 82 82 19187 1 . GLY 83 83 19187 1 . TYR 84 84 19187 1 . LEU 85 85 19187 1 . LYS 86 86 19187 1 . ILE 87 87 19187 1 . VAL 88 88 19187 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $C-terminus_MCM . 145262 organism . 'Methanothermobacter thermautotrophicus' 'Methanothermobacter thermautotrophicus' . . Archaea . Methanothermobacter thermautotrophicus 'ATCC 29096' . . . . . . . . . . . . . . . . . . . . 19187 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 19187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $C-terminus_MCM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21-CodonPlus (DE3)-RILP' . . . . . . . . . . . . . . . 'pPROEX HTa' . . . . . . 19187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19187 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus' '[U-13C; U-15N]' . . 1 $C-terminus_MCM . . 1 . . mM . . . . 19187 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19187 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19187 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 19187 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19187 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19187 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus' '[U-13C; U-15N]' . . 1 $C-terminus_MCM . . 1 . . mM . . . . 19187 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19187 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19187 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19187 2 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 19187 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 160 . mM 19187 1 pH 6.2 . pH 19187 1 pressure 1 . atm 19187 1 temperature 273 . K 19187 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19187 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19187 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19187 1 processing 19187 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19187 _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' . . 19187 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19187 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 19187 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19187 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19187 3 'data analysis' 19187 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19187 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AvanceIII . 750 . . . 19187 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 19187 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 6 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 7 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 8 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 10 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 11 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 12 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 13 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 14 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 15 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19187 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19187 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19187 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19187 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19187 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19187 1 2 '2D 1H-13C HSQC aliphatic' . . . 19187 1 3 '2D 1H-13C HSQC aromatic' . . . 19187 1 15 '2D 1H-13C HSQC' . . . 19187 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 2 2 ALA HA H 1 4.373 0.020 . 1 . . . . 580 Ala HA . 19187 1 2 . 1 1 2 2 ALA HB1 H 1 1.395 0.020 . 1 . . . . 580 Ala HB1 . 19187 1 3 . 1 1 2 2 ALA HB2 H 1 1.395 0.020 . 1 . . . . 580 Ala HB2 . 19187 1 4 . 1 1 2 2 ALA HB3 H 1 1.395 0.020 . 1 . . . . 580 Ala HB3 . 19187 1 5 . 1 1 2 2 ALA CA C 13 52.465 0.300 . 1 . . . . 580 Ala CA . 19187 1 6 . 1 1 2 2 ALA CB C 13 19.330 0.300 . 1 . . . . 580 Ala CB . 19187 1 7 . 1 1 3 3 MET H H 1 8.515 0.020 . 1 . . . . 581 Met H . 19187 1 8 . 1 1 3 3 MET HA H 1 4.476 0.020 . 1 . . . . 581 Met HA . 19187 1 9 . 1 1 3 3 MET HB2 H 1 2.113 0.020 . 2 . . . . 581 Met HB2 . 19187 1 10 . 1 1 3 3 MET HB3 H 1 2.037 0.020 . 2 . . . . 581 Met HB3 . 19187 1 11 . 1 1 3 3 MET HG2 H 1 2.628 0.020 . 2 . . . . 581 Met HG2 . 19187 1 12 . 1 1 3 3 MET HG3 H 1 2.569 0.020 . 2 . . . . 581 Met HG3 . 19187 1 13 . 1 1 3 3 MET HE1 H 1 2.102 0.020 . 1 . . . . 581 Met HE1 . 19187 1 14 . 1 1 3 3 MET HE2 H 1 2.102 0.020 . 1 . . . . 581 Met HE2 . 19187 1 15 . 1 1 3 3 MET HE3 H 1 2.102 0.020 . 1 . . . . 581 Met HE3 . 19187 1 16 . 1 1 3 3 MET C C 13 176.929 0.300 . 1 . . . . 581 Met C . 19187 1 17 . 1 1 3 3 MET CA C 13 55.587 0.300 . 1 . . . . 581 Met CA . 19187 1 18 . 1 1 3 3 MET CB C 13 32.650 0.300 . 1 . . . . 581 Met CB . 19187 1 19 . 1 1 3 3 MET CG C 13 32.011 0.300 . 1 . . . . 581 Met CG . 19187 1 20 . 1 1 3 3 MET CE C 13 16.882 0.300 . 1 . . . . 581 Met CE . 19187 1 21 . 1 1 3 3 MET N N 15 119.702 0.250 . 1 . . . . 581 Met N . 19187 1 22 . 1 1 4 4 GLY H H 1 8.372 0.020 . 1 . . . . 582 Gly H . 19187 1 23 . 1 1 4 4 GLY HA2 H 1 3.972 0.020 . 2 . . . . 582 Gly HA2 . 19187 1 24 . 1 1 4 4 GLY HA3 H 1 3.971 0.020 . 2 . . . . 582 Gly HA3 . 19187 1 25 . 1 1 4 4 GLY C C 13 174.358 0.300 . 1 . . . . 582 Gly C . 19187 1 26 . 1 1 4 4 GLY CA C 13 45.171 0.300 . 1 . . . . 582 Gly CA . 19187 1 27 . 1 1 4 4 GLY N N 15 110.162 0.250 . 1 . . . . 582 Gly N . 19187 1 28 . 1 1 5 5 GLU H H 1 8.303 0.020 . 1 . . . . 583 Glu H . 19187 1 29 . 1 1 5 5 GLU HA H 1 4.372 0.020 . 1 . . . . 583 Glu HA . 19187 1 30 . 1 1 5 5 GLU HB2 H 1 2.090 0.020 . 2 . . . . 583 Glu HB2 . 19187 1 31 . 1 1 5 5 GLU HB3 H 1 1.964 0.020 . 2 . . . . 583 Glu HB3 . 19187 1 32 . 1 1 5 5 GLU HG2 H 1 2.263 0.020 . 2 . . . . 583 Glu HG2 . 19187 1 33 . 1 1 5 5 GLU HG3 H 1 2.263 0.020 . 2 . . . . 583 Glu HG3 . 19187 1 34 . 1 1 5 5 GLU C C 13 177.188 0.300 . 1 . . . . 583 Glu C . 19187 1 35 . 1 1 5 5 GLU CA C 13 56.528 0.300 . 1 . . . . 583 Glu CA . 19187 1 36 . 1 1 5 5 GLU CB C 13 30.227 0.300 . 1 . . . . 583 Glu CB . 19187 1 37 . 1 1 5 5 GLU CG C 13 36.270 0.300 . 1 . . . . 583 Glu CG . 19187 1 38 . 1 1 5 5 GLU N N 15 120.804 0.250 . 1 . . . . 583 Glu N . 19187 1 39 . 1 1 6 6 THR H H 1 8.251 0.020 . 1 . . . . 584 Thr H . 19187 1 40 . 1 1 6 6 THR HA H 1 4.335 0.020 . 1 . . . . 584 Thr HA . 19187 1 41 . 1 1 6 6 THR HB H 1 4.253 0.020 . 1 . . . . 584 Thr HB . 19187 1 42 . 1 1 6 6 THR HG21 H 1 1.223 0.020 . 1 . . . . 584 Thr HG21 . 19187 1 43 . 1 1 6 6 THR HG22 H 1 1.223 0.020 . 1 . . . . 584 Thr HG22 . 19187 1 44 . 1 1 6 6 THR HG23 H 1 1.223 0.020 . 1 . . . . 584 Thr HG23 . 19187 1 45 . 1 1 6 6 THR C C 13 175.397 0.300 . 1 . . . . 584 Thr C . 19187 1 46 . 1 1 6 6 THR CA C 13 62.091 0.300 . 1 . . . . 584 Thr CA . 19187 1 47 . 1 1 6 6 THR CB C 13 69.658 0.300 . 1 . . . . 584 Thr CB . 19187 1 48 . 1 1 6 6 THR CG2 C 13 21.469 0.300 . 1 . . . . 584 Thr CG2 . 19187 1 49 . 1 1 6 6 THR N N 15 114.703 0.250 . 1 . . . . 584 Thr N . 19187 1 50 . 1 1 7 7 GLY H H 1 8.423 0.020 . 1 . . . . 585 Gly H . 19187 1 51 . 1 1 7 7 GLY HA2 H 1 3.954 0.020 . 1 . . . . 585 Gly HA2 . 19187 1 52 . 1 1 7 7 GLY HA3 H 1 3.954 0.020 . 1 . . . . 585 Gly HA3 . 19187 1 53 . 1 1 7 7 GLY C C 13 174.002 0.300 . 1 . . . . 585 Gly C . 19187 1 54 . 1 1 7 7 GLY CA C 13 45.296 0.300 . 1 . . . . 585 Gly CA . 19187 1 55 . 1 1 7 7 GLY N N 15 111.226 0.250 . 1 . . . . 585 Gly N . 19187 1 56 . 1 1 8 8 LYS H H 1 8.051 0.020 . 1 . . . . 586 Lys H . 19187 1 57 . 1 1 8 8 LYS HA H 1 4.354 0.020 . 1 . . . . 586 Lys HA . 19187 1 58 . 1 1 8 8 LYS HB2 H 1 1.810 0.020 . 2 . . . . 586 Lys HB2 . 19187 1 59 . 1 1 8 8 LYS HB3 H 1 1.723 0.020 . 2 . . . . 586 Lys HB3 . 19187 1 60 . 1 1 8 8 LYS HG2 H 1 1.414 0.020 . 2 . . . . 586 Lys HG2 . 19187 1 61 . 1 1 8 8 LYS HG3 H 1 1.357 0.020 . 2 . . . . 586 Lys HG3 . 19187 1 62 . 1 1 8 8 LYS HD2 H 1 1.687 0.020 . 1 . . . . 586 Lys HD2 . 19187 1 63 . 1 1 8 8 LYS HD3 H 1 1.687 0.020 . 1 . . . . 586 Lys HD3 . 19187 1 64 . 1 1 8 8 LYS HE2 H 1 2.994 0.020 . 1 . . . . 586 Lys HE2 . 19187 1 65 . 1 1 8 8 LYS HE3 H 1 2.994 0.020 . 1 . . . . 586 Lys HE3 . 19187 1 66 . 1 1 8 8 LYS C C 13 176.541 0.300 . 1 . . . . 586 Lys C . 19187 1 67 . 1 1 8 8 LYS CA C 13 56.030 0.300 . 1 . . . . 586 Lys CA . 19187 1 68 . 1 1 8 8 LYS CB C 13 33.109 0.300 . 1 . . . . 586 Lys CB . 19187 1 69 . 1 1 8 8 LYS CG C 13 24.589 0.300 . 1 . . . . 586 Lys CG . 19187 1 70 . 1 1 8 8 LYS CD C 13 29.008 0.300 . 1 . . . . 586 Lys CD . 19187 1 71 . 1 1 8 8 LYS CE C 13 41.894 0.300 . 1 . . . . 586 Lys CE . 19187 1 72 . 1 1 8 8 LYS N N 15 120.878 0.250 . 1 . . . . 586 Lys N . 19187 1 73 . 1 1 9 9 ILE H H 1 8.150 0.020 . 1 . . . . 587 Ile H . 19187 1 74 . 1 1 9 9 ILE HA H 1 4.172 0.020 . 1 . . . . 587 Ile HA . 19187 1 75 . 1 1 9 9 ILE HB H 1 1.833 0.020 . 1 . . . . 587 Ile HB . 19187 1 76 . 1 1 9 9 ILE HG12 H 1 1.448 0.020 . 2 . . . . 587 Ile HG12 . 19187 1 77 . 1 1 9 9 ILE HG13 H 1 1.164 0.020 . 2 . . . . 587 Ile HG13 . 19187 1 78 . 1 1 9 9 ILE HG21 H 1 0.873 0.020 . 1 . . . . 587 Ile HG21 . 19187 1 79 . 1 1 9 9 ILE HG22 H 1 0.873 0.020 . 1 . . . . 587 Ile HG22 . 19187 1 80 . 1 1 9 9 ILE HG23 H 1 0.873 0.020 . 1 . . . . 587 Ile HG23 . 19187 1 81 . 1 1 9 9 ILE HD11 H 1 0.839 0.020 . 1 . . . . 587 Ile HD11 . 19187 1 82 . 1 1 9 9 ILE HD12 H 1 0.839 0.020 . 1 . . . . 587 Ile HD12 . 19187 1 83 . 1 1 9 9 ILE HD13 H 1 0.839 0.020 . 1 . . . . 587 Ile HD13 . 19187 1 84 . 1 1 9 9 ILE C C 13 175.807 0.300 . 1 . . . . 587 Ile C . 19187 1 85 . 1 1 9 9 ILE CA C 13 60.821 0.300 . 1 . . . . 587 Ile CA . 19187 1 86 . 1 1 9 9 ILE CB C 13 38.945 0.300 . 1 . . . . 587 Ile CB . 19187 1 87 . 1 1 9 9 ILE CG1 C 13 27.235 0.300 . 1 . . . . 587 Ile CG1 . 19187 1 88 . 1 1 9 9 ILE CG2 C 13 17.530 0.300 . 1 . . . . 587 Ile CG2 . 19187 1 89 . 1 1 9 9 ILE CD1 C 13 12.964 0.300 . 1 . . . . 587 Ile CD1 . 19187 1 90 . 1 1 9 9 ILE N N 15 122.189 0.250 . 1 . . . . 587 Ile N . 19187 1 91 . 1 1 10 10 ASP H H 1 8.386 0.020 . 1 . . . . 588 Asp H . 19187 1 92 . 1 1 10 10 ASP HA H 1 4.660 0.020 . 1 . . . . 588 Asp HA . 19187 1 93 . 1 1 10 10 ASP HB2 H 1 2.728 0.020 . 2 . . . . 588 Asp HB2 . 19187 1 94 . 1 1 10 10 ASP HB3 H 1 2.555 0.020 . 2 . . . . 588 Asp HB3 . 19187 1 95 . 1 1 10 10 ASP C C 13 176.491 0.300 . 1 . . . . 588 Asp C . 19187 1 96 . 1 1 10 10 ASP CA C 13 53.935 0.300 . 1 . . . . 588 Asp CA . 19187 1 97 . 1 1 10 10 ASP CB C 13 41.149 0.300 . 1 . . . . 588 Asp CB . 19187 1 98 . 1 1 10 10 ASP N N 15 124.915 0.250 . 1 . . . . 588 Asp N . 19187 1 99 . 1 1 11 11 ILE H H 1 8.058 0.020 . 1 . . . . 589 Ile H . 19187 1 100 . 1 1 11 11 ILE HA H 1 4.096 0.020 . 1 . . . . 589 Ile HA . 19187 1 101 . 1 1 11 11 ILE HB H 1 1.890 0.020 . 1 . . . . 589 Ile HB . 19187 1 102 . 1 1 11 11 ILE HG12 H 1 1.442 0.020 . 2 . . . . 589 Ile HG12 . 19187 1 103 . 1 1 11 11 ILE HG13 H 1 1.197 0.020 . 2 . . . . 589 Ile HG13 . 19187 1 104 . 1 1 11 11 ILE HG21 H 1 0.913 0.020 . 1 . . . . 589 Ile HG21 . 19187 1 105 . 1 1 11 11 ILE HG22 H 1 0.913 0.020 . 1 . . . . 589 Ile HG22 . 19187 1 106 . 1 1 11 11 ILE HG23 H 1 0.913 0.020 . 1 . . . . 589 Ile HG23 . 19187 1 107 . 1 1 11 11 ILE HD11 H 1 0.861 0.020 . 1 . . . . 589 Ile HD11 . 19187 1 108 . 1 1 11 11 ILE HD12 H 1 0.861 0.020 . 1 . . . . 589 Ile HD12 . 19187 1 109 . 1 1 11 11 ILE HD13 H 1 0.861 0.020 . 1 . . . . 589 Ile HD13 . 19187 1 110 . 1 1 11 11 ILE C C 13 176.190 0.300 . 1 . . . . 589 Ile C . 19187 1 111 . 1 1 11 11 ILE CA C 13 61.594 0.300 . 1 . . . . 589 Ile CA . 19187 1 112 . 1 1 11 11 ILE CB C 13 38.788 0.300 . 1 . . . . 589 Ile CB . 19187 1 113 . 1 1 11 11 ILE CG1 C 13 27.300 0.300 . 1 . . . . 589 Ile CG1 . 19187 1 114 . 1 1 11 11 ILE CG2 C 13 17.711 0.300 . 1 . . . . 589 Ile CG2 . 19187 1 115 . 1 1 11 11 ILE CD1 C 13 13.309 0.300 . 1 . . . . 589 Ile CD1 . 19187 1 116 . 1 1 11 11 ILE N N 15 121.024 0.250 . 1 . . . . 589 Ile N . 19187 1 117 . 1 1 12 12 ASP H H 1 8.309 0.020 . 1 . . . . 590 Asp H . 19187 1 118 . 1 1 12 12 ASP HA H 1 4.558 0.020 . 1 . . . . 590 Asp HA . 19187 1 119 . 1 1 12 12 ASP HB2 H 1 2.669 0.020 . 2 . . . . 590 Asp HB2 . 19187 1 120 . 1 1 12 12 ASP HB3 H 1 2.632 0.020 . 2 . . . . 590 Asp HB3 . 19187 1 121 . 1 1 12 12 ASP C C 13 176.573 0.300 . 1 . . . . 590 Asp C . 19187 1 122 . 1 1 12 12 ASP CA C 13 54.869 0.300 . 1 . . . . 590 Asp CA . 19187 1 123 . 1 1 12 12 ASP CB C 13 41.034 0.300 . 1 . . . . 590 Asp CB . 19187 1 124 . 1 1 12 12 ASP N N 15 122.491 0.250 . 1 . . . . 590 Asp N . 19187 1 125 . 1 1 13 13 LYS H H 1 7.975 0.020 . 1 . . . . 591 Lys H . 19187 1 126 . 1 1 13 13 LYS HA H 1 4.301 0.020 . 1 . . . . 591 Lys HA . 19187 1 127 . 1 1 13 13 LYS HB2 H 1 1.867 0.020 . 2 . . . . 591 Lys HB2 . 19187 1 128 . 1 1 13 13 LYS HB3 H 1 1.772 0.020 . 2 . . . . 591 Lys HB3 . 19187 1 129 . 1 1 13 13 LYS HG2 H 1 1.446 0.020 . 2 . . . . 591 Lys HG2 . 19187 1 130 . 1 1 13 13 LYS HG3 H 1 1.367 0.020 . 2 . . . . 591 Lys HG3 . 19187 1 131 . 1 1 13 13 LYS HD2 H 1 1.673 0.020 . 1 . . . . 591 Lys HD2 . 19187 1 132 . 1 1 13 13 LYS HD3 H 1 1.673 0.020 . 1 . . . . 591 Lys HD3 . 19187 1 133 . 1 1 13 13 LYS HE2 H 1 2.999 0.020 . 1 . . . . 591 Lys HE2 . 19187 1 134 . 1 1 13 13 LYS HE3 H 1 2.999 0.020 . 1 . . . . 591 Lys HE3 . 19187 1 135 . 1 1 13 13 LYS C C 13 176.915 0.300 . 1 . . . . 591 Lys C . 19187 1 136 . 1 1 13 13 LYS CA C 13 56.361 0.300 . 1 . . . . 591 Lys CA . 19187 1 137 . 1 1 13 13 LYS CB C 13 32.851 0.300 . 1 . . . . 591 Lys CB . 19187 1 138 . 1 1 13 13 LYS CG C 13 24.731 0.300 . 1 . . . . 591 Lys CG . 19187 1 139 . 1 1 13 13 LYS CD C 13 28.963 0.300 . 1 . . . . 591 Lys CD . 19187 1 140 . 1 1 13 13 LYS CE C 13 42.044 0.300 . 1 . . . . 591 Lys CE . 19187 1 141 . 1 1 13 13 LYS N N 15 120.852 0.250 . 1 . . . . 591 Lys N . 19187 1 142 . 1 1 14 14 VAL H H 1 8.018 0.020 . 1 . . . . 592 Val H . 19187 1 143 . 1 1 14 14 VAL HA H 1 4.023 0.020 . 1 . . . . 592 Val HA . 19187 1 144 . 1 1 14 14 VAL HB H 1 2.080 0.020 . 1 . . . . 592 Val HB . 19187 1 145 . 1 1 14 14 VAL HG11 H 1 0.942 0.020 . 2 . . . . 592 Val HG11 . 19187 1 146 . 1 1 14 14 VAL HG12 H 1 0.942 0.020 . 2 . . . . 592 Val HG12 . 19187 1 147 . 1 1 14 14 VAL HG13 H 1 0.942 0.020 . 2 . . . . 592 Val HG13 . 19187 1 148 . 1 1 14 14 VAL HG21 H 1 0.920 0.020 . 2 . . . . 592 Val HG21 . 19187 1 149 . 1 1 14 14 VAL HG22 H 1 0.920 0.020 . 2 . . . . 592 Val HG22 . 19187 1 150 . 1 1 14 14 VAL HG23 H 1 0.920 0.020 . 2 . . . . 592 Val HG23 . 19187 1 151 . 1 1 14 14 VAL C C 13 176.655 0.300 . 1 . . . . 592 Val C . 19187 1 152 . 1 1 14 14 VAL CA C 13 62.836 0.300 . 1 . . . . 592 Val CA . 19187 1 153 . 1 1 14 14 VAL CB C 13 32.597 0.300 . 1 . . . . 592 Val CB . 19187 1 154 . 1 1 14 14 VAL CG1 C 13 20.911 0.300 . 2 . . . . 592 Val CG1 . 19187 1 155 . 1 1 14 14 VAL CG2 C 13 21.194 0.300 . 2 . . . . 592 Val CG2 . 19187 1 156 . 1 1 14 14 VAL N N 15 121.072 0.250 . 1 . . . . 592 Val N . 19187 1 157 . 1 1 15 15 GLU H H 1 8.492 0.020 . 1 . . . . 593 Glu H . 19187 1 158 . 1 1 15 15 GLU HA H 1 4.263 0.020 . 1 . . . . 593 Glu HA . 19187 1 159 . 1 1 15 15 GLU HB2 H 1 2.060 0.020 . 2 . . . . 593 Glu HB2 . 19187 1 160 . 1 1 15 15 GLU HB3 H 1 1.964 0.020 . 2 . . . . 593 Glu HB3 . 19187 1 161 . 1 1 15 15 GLU HG2 H 1 2.262 0.020 . 2 . . . . 593 Glu HG2 . 19187 1 162 . 1 1 15 15 GLU HG3 H 1 2.260 0.020 . 2 . . . . 593 Glu HG3 . 19187 1 163 . 1 1 15 15 GLU C C 13 177.270 0.300 . 1 . . . . 593 Glu C . 19187 1 164 . 1 1 15 15 GLU CA C 13 56.880 0.300 . 1 . . . . 593 Glu CA . 19187 1 165 . 1 1 15 15 GLU CB C 13 30.082 0.300 . 1 . . . . 593 Glu CB . 19187 1 166 . 1 1 15 15 GLU CG C 13 36.205 0.300 . 1 . . . . 593 Glu CG . 19187 1 167 . 1 1 15 15 GLU N N 15 123.976 0.250 . 1 . . . . 593 Glu N . 19187 1 168 . 1 1 16 16 GLY H H 1 8.345 0.020 . 1 . . . . 594 Gly H . 19187 1 169 . 1 1 16 16 GLY HA2 H 1 3.961 0.020 . 1 . . . . 594 Gly HA2 . 19187 1 170 . 1 1 16 16 GLY HA3 H 1 3.961 0.020 . 1 . . . . 594 Gly HA3 . 19187 1 171 . 1 1 16 16 GLY C C 13 174.385 0.300 . 1 . . . . 594 Gly C . 19187 1 172 . 1 1 16 16 GLY CA C 13 45.436 0.300 . 1 . . . . 594 Gly CA . 19187 1 173 . 1 1 16 16 GLY N N 15 109.652 0.250 . 1 . . . . 594 Gly N . 19187 1 174 . 1 1 17 17 ARG H H 1 8.118 0.020 . 1 . . . . 595 Arg H . 19187 1 175 . 1 1 17 17 ARG HA H 1 4.415 0.020 . 1 . . . . 595 Arg HA . 19187 1 176 . 1 1 17 17 ARG HB2 H 1 1.900 0.020 . 2 . . . . 595 Arg HB2 . 19187 1 177 . 1 1 17 17 ARG HB3 H 1 1.783 0.020 . 2 . . . . 595 Arg HB3 . 19187 1 178 . 1 1 17 17 ARG HG2 H 1 1.654 0.020 . 2 . . . . 595 Arg HG2 . 19187 1 179 . 1 1 17 17 ARG HG3 H 1 1.612 0.020 . 2 . . . . 595 Arg HG3 . 19187 1 180 . 1 1 17 17 ARG HD2 H 1 3.197 0.020 . 1 . . . . 595 Arg HD2 . 19187 1 181 . 1 1 17 17 ARG HD3 H 1 3.197 0.020 . 1 . . . . 595 Arg HD3 . 19187 1 182 . 1 1 17 17 ARG C C 13 176.395 0.300 . 1 . . . . 595 Arg C . 19187 1 183 . 1 1 17 17 ARG CA C 13 55.943 0.300 . 1 . . . . 595 Arg CA . 19187 1 184 . 1 1 17 17 ARG CB C 13 30.855 0.300 . 1 . . . . 595 Arg CB . 19187 1 185 . 1 1 17 17 ARG CG C 13 27.132 0.300 . 1 . . . . 595 Arg CG . 19187 1 186 . 1 1 17 17 ARG CD C 13 43.285 0.300 . 1 . . . . 595 Arg CD . 19187 1 187 . 1 1 17 17 ARG N N 15 119.989 0.250 . 1 . . . . 595 Arg N . 19187 1 188 . 1 1 18 18 THR H H 1 8.117 0.020 . 1 . . . . 596 Thr H . 19187 1 189 . 1 1 18 18 THR HA H 1 4.619 0.020 . 1 . . . . 596 Thr HA . 19187 1 190 . 1 1 18 18 THR HB H 1 4.133 0.020 . 1 . . . . 596 Thr HB . 19187 1 191 . 1 1 18 18 THR HG21 H 1 1.255 0.020 . 1 . . . . 596 Thr HG21 . 19187 1 192 . 1 1 18 18 THR HG22 H 1 1.255 0.020 . 1 . . . . 596 Thr HG22 . 19187 1 193 . 1 1 18 18 THR HG23 H 1 1.255 0.020 . 1 . . . . 596 Thr HG23 . 19187 1 194 . 1 1 18 18 THR C C 13 173.004 0.300 . 1 . . . . 596 Thr C . 19187 1 195 . 1 1 18 18 THR CA C 13 59.914 0.300 . 1 . . . . 596 Thr CA . 19187 1 196 . 1 1 18 18 THR CB C 13 69.631 0.300 . 1 . . . . 596 Thr CB . 19187 1 197 . 1 1 18 18 THR CG2 C 13 21.513 0.300 . 1 . . . . 596 Thr CG2 . 19187 1 198 . 1 1 18 18 THR N N 15 117.446 0.250 . 1 . . . . 596 Thr N . 19187 1 199 . 1 1 19 19 PRO HA H 1 4.451 0.020 . 1 . . . . 597 Pro HA . 19187 1 200 . 1 1 19 19 PRO HB2 H 1 2.306 0.020 . 2 . . . . 597 Pro HB2 . 19187 1 201 . 1 1 19 19 PRO HB3 H 1 1.898 0.020 . 2 . . . . 597 Pro HB3 . 19187 1 202 . 1 1 19 19 PRO HG2 H 1 2.035 0.020 . 2 . . . . 597 Pro HG2 . 19187 1 203 . 1 1 19 19 PRO HG3 H 1 1.954 0.020 . 2 . . . . 597 Pro HG3 . 19187 1 204 . 1 1 19 19 PRO HD2 H 1 3.908 0.020 . 2 . . . . 597 Pro HD2 . 19187 1 205 . 1 1 19 19 PRO HD3 H 1 3.718 0.020 . 2 . . . . 597 Pro HD3 . 19187 1 206 . 1 1 19 19 PRO C C 13 177.301 0.300 . 1 . . . . 597 Pro C . 19187 1 207 . 1 1 19 19 PRO CA C 13 63.146 0.300 . 1 . . . . 597 Pro CA . 19187 1 208 . 1 1 19 19 PRO CB C 13 32.195 0.300 . 1 . . . . 597 Pro CB . 19187 1 209 . 1 1 19 19 PRO CG C 13 27.591 0.300 . 1 . . . . 597 Pro CG . 19187 1 210 . 1 1 19 19 PRO CD C 13 51.089 0.300 . 1 . . . . 597 Pro CD . 19187 1 211 . 1 1 20 20 LYS H H 1 8.573 0.020 . 1 . . . . 598 Lys H . 19187 1 212 . 1 1 20 20 LYS HA H 1 4.216 0.020 . 1 . . . . 598 Lys HA . 19187 1 213 . 1 1 20 20 LYS HB2 H 1 1.854 0.020 . 2 . . . . 598 Lys HB2 . 19187 1 214 . 1 1 20 20 LYS HB3 H 1 1.810 0.020 . 2 . . . . 598 Lys HB3 . 19187 1 215 . 1 1 20 20 LYS HG2 H 1 1.474 0.020 . 2 . . . . 598 Lys HG2 . 19187 1 216 . 1 1 20 20 LYS HG3 H 1 1.360 0.020 . 2 . . . . 598 Lys HG3 . 19187 1 217 . 1 1 20 20 LYS HD2 H 1 1.676 0.020 . 1 . . . . 598 Lys HD2 . 19187 1 218 . 1 1 20 20 LYS HD3 H 1 1.676 0.020 . 1 . . . . 598 Lys HD3 . 19187 1 219 . 1 1 20 20 LYS HE2 H 1 2.991 0.020 . 1 . . . . 598 Lys HE2 . 19187 1 220 . 1 1 20 20 LYS HE3 H 1 2.991 0.020 . 1 . . . . 598 Lys HE3 . 19187 1 221 . 1 1 20 20 LYS C C 13 177.120 0.300 . 1 . . . . 598 Lys C . 19187 1 222 . 1 1 20 20 LYS CA C 13 57.144 0.300 . 1 . . . . 598 Lys CA . 19187 1 223 . 1 1 20 20 LYS CB C 13 32.942 0.300 . 1 . . . . 598 Lys CB . 19187 1 224 . 1 1 20 20 LYS CG C 13 24.697 0.300 . 1 . . . . 598 Lys CG . 19187 1 225 . 1 1 20 20 LYS CD C 13 28.872 0.300 . 1 . . . . 598 Lys CD . 19187 1 226 . 1 1 20 20 LYS CE C 13 41.993 0.300 . 1 . . . . 598 Lys CE . 19187 1 227 . 1 1 20 20 LYS N N 15 122.117 0.250 . 1 . . . . 598 Lys N . 19187 1 228 . 1 1 21 21 SER H H 1 8.322 0.020 . 1 . . . . 599 Ser H . 19187 1 229 . 1 1 21 21 SER HA H 1 4.432 0.020 . 1 . . . . 599 Ser HA . 19187 1 230 . 1 1 21 21 SER HB2 H 1 3.975 0.020 . 2 . . . . 599 Ser HB2 . 19187 1 231 . 1 1 21 21 SER HB3 H 1 3.881 0.020 . 2 . . . . 599 Ser HB3 . 19187 1 232 . 1 1 21 21 SER C C 13 175.231 0.300 . 1 . . . . 599 Ser C . 19187 1 233 . 1 1 21 21 SER CA C 13 58.385 0.300 . 1 . . . . 599 Ser CA . 19187 1 234 . 1 1 21 21 SER CB C 13 63.837 0.300 . 1 . . . . 599 Ser CB . 19187 1 235 . 1 1 21 21 SER N N 15 115.315 0.250 . 1 . . . . 599 Ser N . 19187 1 236 . 1 1 22 22 GLU H H 1 8.344 0.020 . 1 . . . . 600 Glu H . 19187 1 237 . 1 1 22 22 GLU HA H 1 4.203 0.020 . 1 . . . . 600 Glu HA . 19187 1 238 . 1 1 22 22 GLU HB2 H 1 2.056 0.020 . 2 . . . . 600 Glu HB2 . 19187 1 239 . 1 1 22 22 GLU HB3 H 1 1.935 0.020 . 2 . . . . 600 Glu HB3 . 19187 1 240 . 1 1 22 22 GLU HG2 H 1 2.224 0.020 . 1 . . . . 600 Glu HG2 . 19187 1 241 . 1 1 22 22 GLU HG3 H 1 2.224 0.020 . 1 . . . . 600 Glu HG3 . 19187 1 242 . 1 1 22 22 GLU C C 13 177.202 0.300 . 1 . . . . 600 Glu C . 19187 1 243 . 1 1 22 22 GLU CA C 13 57.249 0.300 . 1 . . . . 600 Glu CA . 19187 1 244 . 1 1 22 22 GLU CB C 13 29.917 0.300 . 1 . . . . 600 Glu CB . 19187 1 245 . 1 1 22 22 GLU CG C 13 36.105 0.300 . 1 . . . . 600 Glu CG . 19187 1 246 . 1 1 22 22 GLU N N 15 122.599 0.250 . 1 . . . . 600 Glu N . 19187 1 247 . 1 1 23 23 ARG H H 1 8.107 0.020 . 1 . . . . 601 Arg H . 19187 1 248 . 1 1 23 23 ARG HA H 1 4.155 0.020 . 1 . . . . 601 Arg HA . 19187 1 249 . 1 1 23 23 ARG HB2 H 1 1.796 0.020 . 1 . . . . 601 Arg HB2 . 19187 1 250 . 1 1 23 23 ARG HB3 H 1 1.796 0.020 . 1 . . . . 601 Arg HB3 . 19187 1 251 . 1 1 23 23 ARG HG2 H 1 1.716 0.020 . 2 . . . . 601 Arg HG2 . 19187 1 252 . 1 1 23 23 ARG HG3 H 1 1.624 0.020 . 2 . . . . 601 Arg HG3 . 19187 1 253 . 1 1 23 23 ARG HD2 H 1 3.181 0.020 . 1 . . . . 601 Arg HD2 . 19187 1 254 . 1 1 23 23 ARG HD3 H 1 3.181 0.020 . 1 . . . . 601 Arg HD3 . 19187 1 255 . 1 1 23 23 ARG C C 13 177.412 0.300 . 1 . . . . 601 Arg C . 19187 1 256 . 1 1 23 23 ARG CA C 13 57.630 0.300 . 1 . . . . 601 Arg CA . 19187 1 257 . 1 1 23 23 ARG CB C 13 30.556 0.300 . 1 . . . . 601 Arg CB . 19187 1 258 . 1 1 23 23 ARG CG C 13 27.193 0.300 . 1 . . . . 601 Arg CG . 19187 1 259 . 1 1 23 23 ARG CD C 13 43.349 0.300 . 1 . . . . 601 Arg CD . 19187 1 260 . 1 1 23 23 ARG N N 15 120.031 0.250 . 1 . . . . 601 Arg N . 19187 1 261 . 1 1 24 24 ASP H H 1 8.182 0.020 . 1 . . . . 602 Asp H . 19187 1 262 . 1 1 24 24 ASP HA H 1 4.511 0.020 . 1 . . . . 602 Asp HA . 19187 1 263 . 1 1 24 24 ASP HB2 H 1 2.729 0.020 . 2 . . . . 602 Asp HB2 . 19187 1 264 . 1 1 24 24 ASP HB3 H 1 2.683 0.020 . 2 . . . . 602 Asp HB3 . 19187 1 265 . 1 1 24 24 ASP C C 13 177.422 0.300 . 1 . . . . 602 Asp C . 19187 1 266 . 1 1 24 24 ASP CA C 13 55.169 0.300 . 1 . . . . 602 Asp CA . 19187 1 267 . 1 1 24 24 ASP CB C 13 41.067 0.300 . 1 . . . . 602 Asp CB . 19187 1 268 . 1 1 24 24 ASP N N 15 120.167 0.250 . 1 . . . . 602 Asp N . 19187 1 269 . 1 1 25 25 LYS H H 1 8.108 0.020 . 1 . . . . 603 Lys H . 19187 1 270 . 1 1 25 25 LYS HA H 1 3.698 0.020 . 1 . . . . 603 Lys HA . 19187 1 271 . 1 1 25 25 LYS HB2 H 1 1.642 0.020 . 2 . . . . 603 Lys HB2 . 19187 1 272 . 1 1 25 25 LYS HB3 H 1 1.546 0.020 . 2 . . . . 603 Lys HB3 . 19187 1 273 . 1 1 25 25 LYS HG2 H 1 1.499 0.020 . 2 . . . . 603 Lys HG2 . 19187 1 274 . 1 1 25 25 LYS HG3 H 1 1.180 0.020 . 2 . . . . 603 Lys HG3 . 19187 1 275 . 1 1 25 25 LYS HD2 H 1 1.499 0.020 . 2 . . . . 603 Lys HD2 . 19187 1 276 . 1 1 25 25 LYS HD3 H 1 1.450 0.020 . 2 . . . . 603 Lys HD3 . 19187 1 277 . 1 1 25 25 LYS HE2 H 1 2.925 0.020 . 1 . . . . 603 Lys HE2 . 19187 1 278 . 1 1 25 25 LYS HE3 H 1 2.926 0.020 . 1 . . . . 603 Lys HE3 . 19187 1 279 . 1 1 25 25 LYS C C 13 177.995 0.300 . 1 . . . . 603 Lys C . 19187 1 280 . 1 1 25 25 LYS CA C 13 59.552 0.300 . 1 . . . . 603 Lys CA . 19187 1 281 . 1 1 25 25 LYS CB C 13 32.569 0.300 . 1 . . . . 603 Lys CB . 19187 1 282 . 1 1 25 25 LYS CG C 13 26.073 0.300 . 1 . . . . 603 Lys CG . 19187 1 283 . 1 1 25 25 LYS CD C 13 29.226 0.300 . 1 . . . . 603 Lys CD . 19187 1 284 . 1 1 25 25 LYS CE C 13 41.728 0.300 . 1 . . . . 603 Lys CE . 19187 1 285 . 1 1 25 25 LYS N N 15 120.753 0.250 . 1 . . . . 603 Lys N . 19187 1 286 . 1 1 26 26 PHE H H 1 7.768 0.020 . 1 . . . . 604 Phe H . 19187 1 287 . 1 1 26 26 PHE HA H 1 4.127 0.020 . 1 . . . . 604 Phe HA . 19187 1 288 . 1 1 26 26 PHE HB2 H 1 3.347 0.020 . 2 . . . . 604 Phe HB2 . 19187 1 289 . 1 1 26 26 PHE HB3 H 1 3.068 0.020 . 2 . . . . 604 Phe HB3 . 19187 1 290 . 1 1 26 26 PHE HD1 H 1 7.298 0.020 . 3 . . . . 604 Phe HD1 . 19187 1 291 . 1 1 26 26 PHE HD2 H 1 7.298 0.020 . 3 . . . . 604 Phe HD2 . 19187 1 292 . 1 1 26 26 PHE HE1 H 1 7.435 0.020 . 3 . . . . 604 Phe HE1 . 19187 1 293 . 1 1 26 26 PHE HE2 H 1 7.435 0.020 . 3 . . . . 604 Phe HE2 . 19187 1 294 . 1 1 26 26 PHE C C 13 177.653 0.300 . 1 . . . . 604 Phe C . 19187 1 295 . 1 1 26 26 PHE CA C 13 61.510 0.300 . 1 . . . . 604 Phe CA . 19187 1 296 . 1 1 26 26 PHE CB C 13 38.308 0.300 . 1 . . . . 604 Phe CB . 19187 1 297 . 1 1 26 26 PHE CD1 C 13 131.701 0.300 . 3 . . . . 604 Phe CD1 . 19187 1 298 . 1 1 26 26 PHE CD2 C 13 131.700 0.300 . 3 . . . . 604 Phe CD2 . 19187 1 299 . 1 1 26 26 PHE CE1 C 13 131.969 0.300 . 3 . . . . 604 Phe CE1 . 19187 1 300 . 1 1 26 26 PHE CE2 C 13 131.969 0.300 . 3 . . . . 604 Phe CE2 . 19187 1 301 . 1 1 26 26 PHE N N 15 115.926 0.250 . 1 . . . . 604 Phe N . 19187 1 302 . 1 1 27 27 ARG H H 1 7.661 0.020 . 1 . . . . 605 Arg H . 19187 1 303 . 1 1 27 27 ARG HA H 1 3.980 0.020 . 1 . . . . 605 Arg HA . 19187 1 304 . 1 1 27 27 ARG HB2 H 1 1.953 0.020 . 2 . . . . 605 Arg HB2 . 19187 1 305 . 1 1 27 27 ARG HB3 H 1 1.916 0.020 . 2 . . . . 605 Arg HB3 . 19187 1 306 . 1 1 27 27 ARG HG2 H 1 1.705 0.020 . 2 . . . . 605 Arg HG2 . 19187 1 307 . 1 1 27 27 ARG HG3 H 1 1.567 0.020 . 2 . . . . 605 Arg HG3 . 19187 1 308 . 1 1 27 27 ARG HD2 H 1 3.254 0.020 . 2 . . . . 605 Arg HD2 . 19187 1 309 . 1 1 27 27 ARG HD3 H 1 3.183 0.020 . 2 . . . . 605 Arg HD3 . 19187 1 310 . 1 1 27 27 ARG C C 13 178.528 0.300 . 1 . . . . 605 Arg C . 19187 1 311 . 1 1 27 27 ARG CA C 13 59.194 0.300 . 1 . . . . 605 Arg CA . 19187 1 312 . 1 1 27 27 ARG CB C 13 29.513 0.300 . 1 . . . . 605 Arg CB . 19187 1 313 . 1 1 27 27 ARG CG C 13 27.033 0.300 . 1 . . . . 605 Arg CG . 19187 1 314 . 1 1 27 27 ARG CD C 13 43.009 0.300 . 1 . . . . 605 Arg CD . 19187 1 315 . 1 1 27 27 ARG N N 15 118.855 0.250 . 1 . . . . 605 Arg N . 19187 1 316 . 1 1 28 28 LEU H H 1 7.830 0.020 . 1 . . . . 606 Leu H . 19187 1 317 . 1 1 28 28 LEU HA H 1 3.879 0.020 . 1 . . . . 606 Leu HA . 19187 1 318 . 1 1 28 28 LEU HB2 H 1 1.475 0.020 . 2 . . . . 606 Leu HB2 . 19187 1 319 . 1 1 28 28 LEU HB3 H 1 0.930 0.020 . 2 . . . . 606 Leu HB3 . 19187 1 320 . 1 1 28 28 LEU HG H 1 1.579 0.020 . 1 . . . . 606 Leu HG . 19187 1 321 . 1 1 28 28 LEU HD11 H 1 0.431 0.020 . 2 . . . . 606 Leu HD11 . 19187 1 322 . 1 1 28 28 LEU HD12 H 1 0.431 0.020 . 2 . . . . 606 Leu HD12 . 19187 1 323 . 1 1 28 28 LEU HD13 H 1 0.431 0.020 . 2 . . . . 606 Leu HD13 . 19187 1 324 . 1 1 28 28 LEU HD21 H 1 0.081 0.020 . 2 . . . . 606 Leu HD21 . 19187 1 325 . 1 1 28 28 LEU HD22 H 1 0.081 0.020 . 2 . . . . 606 Leu HD22 . 19187 1 326 . 1 1 28 28 LEU HD23 H 1 0.081 0.020 . 2 . . . . 606 Leu HD23 . 19187 1 327 . 1 1 28 28 LEU C C 13 179.909 0.300 . 1 . . . . 606 Leu C . 19187 1 328 . 1 1 28 28 LEU CA C 13 57.460 0.300 . 1 . . . . 606 Leu CA . 19187 1 329 . 1 1 28 28 LEU CB C 13 41.083 0.300 . 1 . . . . 606 Leu CB . 19187 1 330 . 1 1 28 28 LEU CG C 13 25.550 0.300 . 1 . . . . 606 Leu CG . 19187 1 331 . 1 1 28 28 LEU CD1 C 13 21.270 0.300 . 2 . . . . 606 Leu CD1 . 19187 1 332 . 1 1 28 28 LEU CD2 C 13 24.099 0.300 . 2 . . . . 606 Leu CD2 . 19187 1 333 . 1 1 28 28 LEU N N 15 116.982 0.250 . 1 . . . . 606 Leu N . 19187 1 334 . 1 1 29 29 LEU H H 1 7.593 0.020 . 1 . . . . 607 Leu H . 19187 1 335 . 1 1 29 29 LEU HA H 1 4.387 0.020 . 1 . . . . 607 Leu HA . 19187 1 336 . 1 1 29 29 LEU HB2 H 1 2.005 0.020 . 2 . . . . 607 Leu HB2 . 19187 1 337 . 1 1 29 29 LEU HB3 H 1 1.496 0.020 . 2 . . . . 607 Leu HB3 . 19187 1 338 . 1 1 29 29 LEU HG H 1 1.563 0.020 . 1 . . . . 607 Leu HG . 19187 1 339 . 1 1 29 29 LEU HD11 H 1 0.868 0.020 . 2 . . . . 607 Leu HD11 . 19187 1 340 . 1 1 29 29 LEU HD12 H 1 0.868 0.020 . 2 . . . . 607 Leu HD12 . 19187 1 341 . 1 1 29 29 LEU HD13 H 1 0.868 0.020 . 2 . . . . 607 Leu HD13 . 19187 1 342 . 1 1 29 29 LEU HD21 H 1 0.950 0.020 . 2 . . . . 607 Leu HD21 . 19187 1 343 . 1 1 29 29 LEU HD22 H 1 0.950 0.020 . 2 . . . . 607 Leu HD22 . 19187 1 344 . 1 1 29 29 LEU HD23 H 1 0.950 0.020 . 2 . . . . 607 Leu HD23 . 19187 1 345 . 1 1 29 29 LEU C C 13 178.419 0.300 . 1 . . . . 607 Leu C . 19187 1 346 . 1 1 29 29 LEU CA C 13 58.029 0.300 . 1 . . . . 607 Leu CA . 19187 1 347 . 1 1 29 29 LEU CB C 13 41.552 0.300 . 1 . . . . 607 Leu CB . 19187 1 348 . 1 1 29 29 LEU CG C 13 27.508 0.300 . 1 . . . . 607 Leu CG . 19187 1 349 . 1 1 29 29 LEU CD1 C 13 27.810 0.300 . 2 . . . . 607 Leu CD1 . 19187 1 350 . 1 1 29 29 LEU CD2 C 13 23.798 0.300 . 2 . . . . 607 Leu CD2 . 19187 1 351 . 1 1 29 29 LEU N N 15 119.682 0.250 . 1 . . . . 607 Leu N . 19187 1 352 . 1 1 30 30 LEU H H 1 8.310 0.020 . 1 . . . . 608 Leu H . 19187 1 353 . 1 1 30 30 LEU HA H 1 3.928 0.020 . 1 . . . . 608 Leu HA . 19187 1 354 . 1 1 30 30 LEU HB2 H 1 2.016 0.020 . 2 . . . . 608 Leu HB2 . 19187 1 355 . 1 1 30 30 LEU HB3 H 1 1.501 0.020 . 2 . . . . 608 Leu HB3 . 19187 1 356 . 1 1 30 30 LEU HG H 1 1.828 0.020 . 1 . . . . 608 Leu HG . 19187 1 357 . 1 1 30 30 LEU HD11 H 1 0.890 0.020 . 2 . . . . 608 Leu HD11 . 19187 1 358 . 1 1 30 30 LEU HD12 H 1 0.890 0.020 . 2 . . . . 608 Leu HD12 . 19187 1 359 . 1 1 30 30 LEU HD13 H 1 0.890 0.020 . 2 . . . . 608 Leu HD13 . 19187 1 360 . 1 1 30 30 LEU HD21 H 1 0.840 0.020 . 2 . . . . 608 Leu HD21 . 19187 1 361 . 1 1 30 30 LEU HD22 H 1 0.840 0.020 . 2 . . . . 608 Leu HD22 . 19187 1 362 . 1 1 30 30 LEU HD23 H 1 0.840 0.020 . 2 . . . . 608 Leu HD23 . 19187 1 363 . 1 1 30 30 LEU C C 13 180.093 0.300 . 1 . . . . 608 Leu C . 19187 1 364 . 1 1 30 30 LEU CA C 13 58.841 0.300 . 1 . . . . 608 Leu CA . 19187 1 365 . 1 1 30 30 LEU CB C 13 41.660 0.300 . 1 . . . . 608 Leu CB . 19187 1 366 . 1 1 30 30 LEU CG C 13 27.131 0.300 . 1 . . . . 608 Leu CG . 19187 1 367 . 1 1 30 30 LEU CD1 C 13 25.376 0.300 . 2 . . . . 608 Leu CD1 . 19187 1 368 . 1 1 30 30 LEU CD2 C 13 24.237 0.300 . 2 . . . . 608 Leu CD2 . 19187 1 369 . 1 1 30 30 LEU N N 15 119.662 0.250 . 1 . . . . 608 Leu N . 19187 1 370 . 1 1 31 31 GLU H H 1 8.485 0.020 . 1 . . . . 609 Glu H . 19187 1 371 . 1 1 31 31 GLU HA H 1 3.950 0.020 . 1 . . . . 609 Glu HA . 19187 1 372 . 1 1 31 31 GLU HB2 H 1 2.118 0.020 . 1 . . . . 609 Glu HB2 . 19187 1 373 . 1 1 31 31 GLU HB3 H 1 2.117 0.020 . 1 . . . . 609 Glu HB3 . 19187 1 374 . 1 1 31 31 GLU HG2 H 1 2.540 0.020 . 2 . . . . 609 Glu HG2 . 19187 1 375 . 1 1 31 31 GLU HG3 H 1 2.309 0.020 . 2 . . . . 609 Glu HG3 . 19187 1 376 . 1 1 31 31 GLU C C 13 179.472 0.300 . 1 . . . . 609 Glu C . 19187 1 377 . 1 1 31 31 GLU CA C 13 59.511 0.300 . 1 . . . . 609 Glu CA . 19187 1 378 . 1 1 31 31 GLU CB C 13 29.147 0.300 . 1 . . . . 609 Glu CB . 19187 1 379 . 1 1 31 31 GLU CG C 13 37.207 0.300 . 1 . . . . 609 Glu CG . 19187 1 380 . 1 1 31 31 GLU N N 15 117.769 0.250 . 1 . . . . 609 Glu N . 19187 1 381 . 1 1 32 32 LEU H H 1 7.862 0.020 . 1 . . . . 610 Leu H . 19187 1 382 . 1 1 32 32 LEU HA H 1 4.275 0.020 . 1 . . . . 610 Leu HA . 19187 1 383 . 1 1 32 32 LEU HB2 H 1 2.086 0.020 . 2 . . . . 610 Leu HB2 . 19187 1 384 . 1 1 32 32 LEU HB3 H 1 1.868 0.020 . 2 . . . . 610 Leu HB3 . 19187 1 385 . 1 1 32 32 LEU HG H 1 1.892 0.020 . 1 . . . . 610 Leu HG . 19187 1 386 . 1 1 32 32 LEU HD11 H 1 1.019 0.020 . 2 . . . . 610 Leu HD11 . 19187 1 387 . 1 1 32 32 LEU HD12 H 1 1.019 0.020 . 2 . . . . 610 Leu HD12 . 19187 1 388 . 1 1 32 32 LEU HD13 H 1 1.019 0.020 . 2 . . . . 610 Leu HD13 . 19187 1 389 . 1 1 32 32 LEU HD21 H 1 0.972 0.020 . 2 . . . . 610 Leu HD21 . 19187 1 390 . 1 1 32 32 LEU HD22 H 1 0.972 0.020 . 2 . . . . 610 Leu HD22 . 19187 1 391 . 1 1 32 32 LEU HD23 H 1 0.972 0.020 . 2 . . . . 610 Leu HD23 . 19187 1 392 . 1 1 32 32 LEU C C 13 178.925 0.300 . 1 . . . . 610 Leu C . 19187 1 393 . 1 1 32 32 LEU CA C 13 57.661 0.300 . 1 . . . . 610 Leu CA . 19187 1 394 . 1 1 32 32 LEU CB C 13 43.023 0.300 . 1 . . . . 610 Leu CB . 19187 1 395 . 1 1 32 32 LEU CG C 13 26.835 0.300 . 1 . . . . 610 Leu CG . 19187 1 396 . 1 1 32 32 LEU CD1 C 13 25.682 0.300 . 2 . . . . 610 Leu CD1 . 19187 1 397 . 1 1 32 32 LEU CD2 C 13 26.735 0.300 . 2 . . . . 610 Leu CD2 . 19187 1 398 . 1 1 32 32 LEU N N 15 122.990 0.250 . 1 . . . . 610 Leu N . 19187 1 399 . 1 1 33 33 ILE H H 1 8.472 0.020 . 1 . . . . 611 Ile H . 19187 1 400 . 1 1 33 33 ILE HA H 1 3.493 0.020 . 1 . . . . 611 Ile HA . 19187 1 401 . 1 1 33 33 ILE HB H 1 1.990 0.020 . 1 . . . . 611 Ile HB . 19187 1 402 . 1 1 33 33 ILE HG12 H 1 2.040 0.020 . 2 . . . . 611 Ile HG12 . 19187 1 403 . 1 1 33 33 ILE HG13 H 1 0.758 0.020 . 2 . . . . 611 Ile HG13 . 19187 1 404 . 1 1 33 33 ILE HG21 H 1 0.934 0.020 . 1 . . . . 611 Ile HG21 . 19187 1 405 . 1 1 33 33 ILE HG22 H 1 0.934 0.020 . 1 . . . . 611 Ile HG22 . 19187 1 406 . 1 1 33 33 ILE HG23 H 1 0.934 0.020 . 1 . . . . 611 Ile HG23 . 19187 1 407 . 1 1 33 33 ILE HD11 H 1 0.759 0.020 . 1 . . . . 611 Ile HD11 . 19187 1 408 . 1 1 33 33 ILE HD12 H 1 0.759 0.020 . 1 . . . . 611 Ile HD12 . 19187 1 409 . 1 1 33 33 ILE HD13 H 1 0.759 0.020 . 1 . . . . 611 Ile HD13 . 19187 1 410 . 1 1 33 33 ILE C C 13 177.831 0.300 . 1 . . . . 611 Ile C . 19187 1 411 . 1 1 33 33 ILE CA C 13 66.719 0.300 . 1 . . . . 611 Ile CA . 19187 1 412 . 1 1 33 33 ILE CB C 13 38.015 0.300 . 1 . . . . 611 Ile CB . 19187 1 413 . 1 1 33 33 ILE CG1 C 13 30.672 0.300 . 1 . . . . 611 Ile CG1 . 19187 1 414 . 1 1 33 33 ILE CG2 C 13 17.950 0.300 . 1 . . . . 611 Ile CG2 . 19187 1 415 . 1 1 33 33 ILE CD1 C 13 14.854 0.300 . 1 . . . . 611 Ile CD1 . 19187 1 416 . 1 1 33 33 ILE N N 15 118.879 0.250 . 1 . . . . 611 Ile N . 19187 1 417 . 1 1 34 34 LYS H H 1 7.726 0.020 . 1 . . . . 612 Lys H . 19187 1 418 . 1 1 34 34 LYS HA H 1 3.951 0.020 . 1 . . . . 612 Lys HA . 19187 1 419 . 1 1 34 34 LYS HB2 H 1 1.970 0.020 . 2 . . . . 612 Lys HB2 . 19187 1 420 . 1 1 34 34 LYS HB3 H 1 1.836 0.020 . 2 . . . . 612 Lys HB3 . 19187 1 421 . 1 1 34 34 LYS HG2 H 1 1.522 0.020 . 2 . . . . 612 Lys HG2 . 19187 1 422 . 1 1 34 34 LYS HG3 H 1 1.523 0.020 . 2 . . . . 612 Lys HG3 . 19187 1 423 . 1 1 34 34 LYS HD2 H 1 1.757 0.020 . 2 . . . . 612 Lys HD2 . 19187 1 424 . 1 1 34 34 LYS HD3 H 1 1.675 0.020 . 2 . . . . 612 Lys HD3 . 19187 1 425 . 1 1 34 34 LYS HE2 H 1 2.974 0.020 . 2 . . . . 612 Lys HE2 . 19187 1 426 . 1 1 34 34 LYS HE3 H 1 2.973 0.020 . 2 . . . . 612 Lys HE3 . 19187 1 427 . 1 1 34 34 LYS C C 13 178.337 0.300 . 1 . . . . 612 Lys C . 19187 1 428 . 1 1 34 34 LYS CA C 13 58.953 0.300 . 1 . . . . 612 Lys CA . 19187 1 429 . 1 1 34 34 LYS CB C 13 32.076 0.300 . 1 . . . . 612 Lys CB . 19187 1 430 . 1 1 34 34 LYS CG C 13 24.688 0.300 . 1 . . . . 612 Lys CG . 19187 1 431 . 1 1 34 34 LYS CD C 13 28.601 0.300 . 1 . . . . 612 Lys CD . 19187 1 432 . 1 1 34 34 LYS CE C 13 41.836 0.300 . 1 . . . . 612 Lys CE . 19187 1 433 . 1 1 34 34 LYS N N 15 118.356 0.250 . 1 . . . . 612 Lys N . 19187 1 434 . 1 1 35 35 GLU H H 1 7.975 0.020 . 1 . . . . 613 Glu H . 19187 1 435 . 1 1 35 35 GLU HA H 1 3.965 0.020 . 1 . . . . 613 Glu HA . 19187 1 436 . 1 1 35 35 GLU HB2 H 1 2.184 0.020 . 2 . . . . 613 Glu HB2 . 19187 1 437 . 1 1 35 35 GLU HB3 H 1 2.184 0.020 . 2 . . . . 613 Glu HB3 . 19187 1 438 . 1 1 35 35 GLU HG2 H 1 2.219 0.020 . 2 . . . . 613 Glu HG2 . 19187 1 439 . 1 1 35 35 GLU HG3 H 1 1.663 0.020 . 2 . . . . 613 Glu HG3 . 19187 1 440 . 1 1 35 35 GLU C C 13 179.021 0.300 . 1 . . . . 613 Glu C . 19187 1 441 . 1 1 35 35 GLU CA C 13 59.069 0.300 . 1 . . . . 613 Glu CA . 19187 1 442 . 1 1 35 35 GLU CB C 13 29.531 0.300 . 1 . . . . 613 Glu CB . 19187 1 443 . 1 1 35 35 GLU CG C 13 35.342 0.300 . 1 . . . . 613 Glu CG . 19187 1 444 . 1 1 35 35 GLU N N 15 119.285 0.250 . 1 . . . . 613 Glu N . 19187 1 445 . 1 1 36 36 TYR H H 1 8.081 0.020 . 1 . . . . 614 Tyr H . 19187 1 446 . 1 1 36 36 TYR HA H 1 4.571 0.020 . 1 . . . . 614 Tyr HA . 19187 1 447 . 1 1 36 36 TYR HB2 H 1 3.230 0.020 . 2 . . . . 614 Tyr HB2 . 19187 1 448 . 1 1 36 36 TYR HB3 H 1 2.956 0.020 . 2 . . . . 614 Tyr HB3 . 19187 1 449 . 1 1 36 36 TYR HD1 H 1 7.334 0.020 . 3 . . . . 614 Tyr HD1 . 19187 1 450 . 1 1 36 36 TYR HD2 H 1 7.334 0.020 . 3 . . . . 614 Tyr HD2 . 19187 1 451 . 1 1 36 36 TYR HE1 H 1 6.712 0.020 . 3 . . . . 614 Tyr HE1 . 19187 1 452 . 1 1 36 36 TYR HE2 H 1 6.712 0.020 . 3 . . . . 614 Tyr HE2 . 19187 1 453 . 1 1 36 36 TYR C C 13 178.228 0.300 . 1 . . . . 614 Tyr C . 19187 1 454 . 1 1 36 36 TYR CA C 13 61.855 0.300 . 1 . . . . 614 Tyr CA . 19187 1 455 . 1 1 36 36 TYR CB C 13 39.180 0.300 . 1 . . . . 614 Tyr CB . 19187 1 456 . 1 1 36 36 TYR CD1 C 13 132.425 0.300 . 3 . . . . 614 Tyr CD1 . 19187 1 457 . 1 1 36 36 TYR CD2 C 13 132.425 0.300 . 3 . . . . 614 Tyr CD2 . 19187 1 458 . 1 1 36 36 TYR CE1 C 13 118.369 0.300 . 3 . . . . 614 Tyr CE1 . 19187 1 459 . 1 1 36 36 TYR CE2 C 13 118.369 0.300 . 3 . . . . 614 Tyr CE2 . 19187 1 460 . 1 1 36 36 TYR N N 15 116.431 0.250 . 1 . . . . 614 Tyr N . 19187 1 461 . 1 1 37 37 GLU H H 1 8.808 0.020 . 1 . . . . 615 Glu H . 19187 1 462 . 1 1 37 37 GLU HA H 1 4.015 0.020 . 1 . . . . 615 Glu HA . 19187 1 463 . 1 1 37 37 GLU HB2 H 1 2.151 0.020 . 2 . . . . 615 Glu HB2 . 19187 1 464 . 1 1 37 37 GLU HB3 H 1 1.991 0.020 . 2 . . . . 615 Glu HB3 . 19187 1 465 . 1 1 37 37 GLU HG2 H 1 2.651 0.020 . 2 . . . . 615 Glu HG2 . 19187 1 466 . 1 1 37 37 GLU HG3 H 1 1.999 0.020 . 2 . . . . 615 Glu HG3 . 19187 1 467 . 1 1 37 37 GLU C C 13 179.718 0.300 . 1 . . . . 615 Glu C . 19187 1 468 . 1 1 37 37 GLU CA C 13 60.058 0.300 . 1 . . . . 615 Glu CA . 19187 1 469 . 1 1 37 37 GLU CB C 13 30.120 0.300 . 1 . . . . 615 Glu CB . 19187 1 470 . 1 1 37 37 GLU CG C 13 36.940 0.300 . 1 . . . . 615 Glu CG . 19187 1 471 . 1 1 37 37 GLU N N 15 121.223 0.250 . 1 . . . . 615 Glu N . 19187 1 472 . 1 1 38 38 ASP H H 1 7.968 0.020 . 1 . . . . 616 Asp H . 19187 1 473 . 1 1 38 38 ASP HA H 1 4.535 0.020 . 1 . . . . 616 Asp HA . 19187 1 474 . 1 1 38 38 ASP HB2 H 1 2.789 0.020 . 2 . . . . 616 Asp HB2 . 19187 1 475 . 1 1 38 38 ASP HB3 H 1 2.738 0.020 . 2 . . . . 616 Asp HB3 . 19187 1 476 . 1 1 38 38 ASP C C 13 178.419 0.300 . 1 . . . . 616 Asp C . 19187 1 477 . 1 1 38 38 ASP CA C 13 56.902 0.300 . 1 . . . . 616 Asp CA . 19187 1 478 . 1 1 38 38 ASP CB C 13 40.285 0.300 . 1 . . . . 616 Asp CB . 19187 1 479 . 1 1 38 38 ASP N N 15 117.814 0.250 . 1 . . . . 616 Asp N . 19187 1 480 . 1 1 39 39 ASP H H 1 7.846 0.020 . 1 . . . . 617 Asp H . 19187 1 481 . 1 1 39 39 ASP HA H 1 4.651 0.020 . 1 . . . . 617 Asp HA . 19187 1 482 . 1 1 39 39 ASP HB2 H 1 2.700 0.020 . 2 . . . . 617 Asp HB2 . 19187 1 483 . 1 1 39 39 ASP HB3 H 1 2.406 0.020 . 2 . . . . 617 Asp HB3 . 19187 1 484 . 1 1 39 39 ASP C C 13 177.366 0.300 . 1 . . . . 617 Asp C . 19187 1 485 . 1 1 39 39 ASP CA C 13 55.845 0.300 . 1 . . . . 617 Asp CA . 19187 1 486 . 1 1 39 39 ASP CB C 13 42.107 0.300 . 1 . . . . 617 Asp CB . 19187 1 487 . 1 1 39 39 ASP N N 15 119.046 0.250 . 1 . . . . 617 Asp N . 19187 1 488 . 1 1 40 40 TYR H H 1 8.040 0.020 . 1 . . . . 618 Tyr H . 19187 1 489 . 1 1 40 40 TYR HA H 1 4.725 0.020 . 1 . . . . 618 Tyr HA . 19187 1 490 . 1 1 40 40 TYR HB2 H 1 3.551 0.020 . 2 . . . . 618 Tyr HB2 . 19187 1 491 . 1 1 40 40 TYR HB3 H 1 3.486 0.020 . 2 . . . . 618 Tyr HB3 . 19187 1 492 . 1 1 40 40 TYR HD1 H 1 7.540 0.020 . 3 . . . . 618 Tyr HD1 . 19187 1 493 . 1 1 40 40 TYR HD2 H 1 7.540 0.020 . 3 . . . . 618 Tyr HD2 . 19187 1 494 . 1 1 40 40 TYR HE1 H 1 6.906 0.020 . 3 . . . . 618 Tyr HE1 . 19187 1 495 . 1 1 40 40 TYR HE2 H 1 6.906 0.020 . 3 . . . . 618 Tyr HE2 . 19187 1 496 . 1 1 40 40 TYR C C 13 176.846 0.300 . 1 . . . . 618 Tyr C . 19187 1 497 . 1 1 40 40 TYR CA C 13 58.228 0.300 . 1 . . . . 618 Tyr CA . 19187 1 498 . 1 1 40 40 TYR CB C 13 37.833 0.300 . 1 . . . . 618 Tyr CB . 19187 1 499 . 1 1 40 40 TYR CD1 C 13 133.846 0.300 . 3 . . . . 618 Tyr CD1 . 19187 1 500 . 1 1 40 40 TYR CD2 C 13 133.846 0.300 . 3 . . . . 618 Tyr CD2 . 19187 1 501 . 1 1 40 40 TYR CE1 C 13 118.168 0.300 . 3 . . . . 618 Tyr CE1 . 19187 1 502 . 1 1 40 40 TYR CE2 C 13 118.168 0.300 . 3 . . . . 618 Tyr CE2 . 19187 1 503 . 1 1 40 40 TYR N N 15 117.546 0.250 . 1 . . . . 618 Tyr N . 19187 1 504 . 1 1 41 41 GLY H H 1 8.099 0.020 . 1 . . . . 619 Gly H . 19187 1 505 . 1 1 41 41 GLY HA2 H 1 3.999 0.020 . 2 . . . . 619 Gly HA2 . 19187 1 506 . 1 1 41 41 GLY HA3 H 1 3.937 0.020 . 2 . . . . 619 Gly HA3 . 19187 1 507 . 1 1 41 41 GLY C C 13 176.450 0.300 . 1 . . . . 619 Gly C . 19187 1 508 . 1 1 41 41 GLY CA C 13 47.145 0.300 . 1 . . . . 619 Gly CA . 19187 1 509 . 1 1 41 41 GLY N N 15 108.026 0.250 . 1 . . . . 619 Gly N . 19187 1 510 . 1 1 42 42 GLY H H 1 9.028 0.020 . 1 . . . . 620 Gly H . 19187 1 511 . 1 1 42 42 GLY HA2 H 1 4.344 0.020 . 2 . . . . 620 Gly HA2 . 19187 1 512 . 1 1 42 42 GLY HA3 H 1 3.752 0.020 . 2 . . . . 620 Gly HA3 . 19187 1 513 . 1 1 42 42 GLY C C 13 172.908 0.300 . 1 . . . . 620 Gly C . 19187 1 514 . 1 1 42 42 GLY CA C 13 45.407 0.300 . 1 . . . . 620 Gly CA . 19187 1 515 . 1 1 42 42 GLY N N 15 107.855 0.250 . 1 . . . . 620 Gly N . 19187 1 516 . 1 1 43 43 ARG H H 1 7.480 0.020 . 1 . . . . 621 Arg H . 19187 1 517 . 1 1 43 43 ARG HA H 1 4.767 0.020 . 1 . . . . 621 Arg HA . 19187 1 518 . 1 1 43 43 ARG HB2 H 1 1.757 0.020 . 2 . . . . 621 Arg HB2 . 19187 1 519 . 1 1 43 43 ARG HB3 H 1 1.522 0.020 . 2 . . . . 621 Arg HB3 . 19187 1 520 . 1 1 43 43 ARG HG2 H 1 1.454 0.020 . 2 . . . . 621 Arg HG2 . 19187 1 521 . 1 1 43 43 ARG HG3 H 1 1.311 0.020 . 2 . . . . 621 Arg HG3 . 19187 1 522 . 1 1 43 43 ARG HD2 H 1 2.641 0.020 . 2 . . . . 621 Arg HD2 . 19187 1 523 . 1 1 43 43 ARG HD3 H 1 2.368 0.020 . 2 . . . . 621 Arg HD3 . 19187 1 524 . 1 1 43 43 ARG C C 13 172.197 0.300 . 1 . . . . 621 Arg C . 19187 1 525 . 1 1 43 43 ARG CA C 13 54.130 0.300 . 1 . . . . 621 Arg CA . 19187 1 526 . 1 1 43 43 ARG CB C 13 32.639 0.300 . 1 . . . . 621 Arg CB . 19187 1 527 . 1 1 43 43 ARG CG C 13 25.148 0.300 . 1 . . . . 621 Arg CG . 19187 1 528 . 1 1 43 43 ARG CD C 13 43.363 0.300 . 1 . . . . 621 Arg CD . 19187 1 529 . 1 1 43 43 ARG N N 15 115.468 0.250 . 1 . . . . 621 Arg N . 19187 1 530 . 1 1 44 44 ALA H H 1 9.372 0.020 . 1 . . . . 622 Ala H . 19187 1 531 . 1 1 44 44 ALA HA H 1 5.151 0.020 . 1 . . . . 622 Ala HA . 19187 1 532 . 1 1 44 44 ALA HB1 H 1 1.426 0.020 . 1 . . . . 622 Ala HB1 . 19187 1 533 . 1 1 44 44 ALA HB2 H 1 1.426 0.020 . 1 . . . . 622 Ala HB2 . 19187 1 534 . 1 1 44 44 ALA HB3 H 1 1.426 0.020 . 1 . . . . 622 Ala HB3 . 19187 1 535 . 1 1 44 44 ALA C C 13 174.481 0.300 . 1 . . . . 622 Ala C . 19187 1 536 . 1 1 44 44 ALA CA C 13 48.320 0.300 . 1 . . . . 622 Ala CA . 19187 1 537 . 1 1 44 44 ALA CB C 13 22.493 0.300 . 1 . . . . 622 Ala CB . 19187 1 538 . 1 1 44 44 ALA N N 15 121.332 0.250 . 1 . . . . 622 Ala N . 19187 1 539 . 1 1 45 45 PRO HA H 1 4.408 0.020 . 1 . . . . 623 Pro HA . 19187 1 540 . 1 1 45 45 PRO HB2 H 1 1.888 0.020 . 2 . . . . 623 Pro HB2 . 19187 1 541 . 1 1 45 45 PRO HB3 H 1 1.798 0.020 . 2 . . . . 623 Pro HB3 . 19187 1 542 . 1 1 45 45 PRO HG2 H 1 1.549 0.020 . 2 . . . . 623 Pro HG2 . 19187 1 543 . 1 1 45 45 PRO HG3 H 1 1.493 0.020 . 2 . . . . 623 Pro HG3 . 19187 1 544 . 1 1 45 45 PRO HD2 H 1 3.571 0.020 . 2 . . . . 623 Pro HD2 . 19187 1 545 . 1 1 45 45 PRO HD3 H 1 2.992 0.020 . 2 . . . . 623 Pro HD3 . 19187 1 546 . 1 1 45 45 PRO C C 13 177.937 0.300 . 1 . . . . 623 Pro C . 19187 1 547 . 1 1 45 45 PRO CA C 13 61.592 0.300 . 1 . . . . 623 Pro CA . 19187 1 548 . 1 1 45 45 PRO CB C 13 31.081 0.300 . 1 . . . . 623 Pro CB . 19187 1 549 . 1 1 45 45 PRO CG C 13 27.715 0.300 . 1 . . . . 623 Pro CG . 19187 1 550 . 1 1 45 45 PRO CD C 13 50.981 0.300 . 1 . . . . 623 Pro CD . 19187 1 551 . 1 1 46 46 THR H H 1 8.591 0.020 . 1 . . . . 624 Thr H . 19187 1 552 . 1 1 46 46 THR HA H 1 3.405 0.020 . 1 . . . . 624 Thr HA . 19187 1 553 . 1 1 46 46 THR HB H 1 3.735 0.020 . 1 . . . . 624 Thr HB . 19187 1 554 . 1 1 46 46 THR HG21 H 1 1.010 0.020 . 1 . . . . 624 Thr HG21 . 19187 1 555 . 1 1 46 46 THR HG22 H 1 1.010 0.020 . 1 . . . . 624 Thr HG22 . 19187 1 556 . 1 1 46 46 THR HG23 H 1 1.010 0.020 . 1 . . . . 624 Thr HG23 . 19187 1 557 . 1 1 46 46 THR C C 13 175.616 0.300 . 1 . . . . 624 Thr C . 19187 1 558 . 1 1 46 46 THR CA C 13 66.384 0.300 . 1 . . . . 624 Thr CA . 19187 1 559 . 1 1 46 46 THR CB C 13 67.569 0.300 . 1 . . . . 624 Thr CB . 19187 1 560 . 1 1 46 46 THR CG2 C 13 22.985 0.300 . 1 . . . . 624 Thr CG2 . 19187 1 561 . 1 1 46 46 THR N N 15 123.626 0.250 . 1 . . . . 624 Thr N . 19187 1 562 . 1 1 47 47 ASN H H 1 8.564 0.020 . 1 . . . . 625 Asn H . 19187 1 563 . 1 1 47 47 ASN HA H 1 4.157 0.020 . 1 . . . . 625 Asn HA . 19187 1 564 . 1 1 47 47 ASN HB2 H 1 2.710 0.020 . 2 . . . . 625 Asn HB2 . 19187 1 565 . 1 1 47 47 ASN HB3 H 1 2.653 0.020 . 2 . . . . 625 Asn HB3 . 19187 1 566 . 1 1 47 47 ASN C C 13 177.653 0.300 . 1 . . . . 625 Asn C . 19187 1 567 . 1 1 47 47 ASN CA C 13 56.656 0.300 . 1 . . . . 625 Asn CA . 19187 1 568 . 1 1 47 47 ASN CB C 13 36.529 0.300 . 1 . . . . 625 Asn CB . 19187 1 569 . 1 1 47 47 ASN N N 15 117.166 0.250 . 1 . . . . 625 Asn N . 19187 1 570 . 1 1 48 48 ILE H H 1 6.798 0.020 . 1 . . . . 626 Ile H . 19187 1 571 . 1 1 48 48 ILE HA H 1 3.809 0.020 . 1 . . . . 626 Ile HA . 19187 1 572 . 1 1 48 48 ILE HB H 1 1.505 0.020 . 1 . . . . 626 Ile HB . 19187 1 573 . 1 1 48 48 ILE HG12 H 1 1.317 0.020 . 2 . . . . 626 Ile HG12 . 19187 1 574 . 1 1 48 48 ILE HG13 H 1 1.069 0.020 . 2 . . . . 626 Ile HG13 . 19187 1 575 . 1 1 48 48 ILE HG21 H 1 0.435 0.020 . 1 . . . . 626 Ile HG21 . 19187 1 576 . 1 1 48 48 ILE HG22 H 1 0.435 0.020 . 1 . . . . 626 Ile HG22 . 19187 1 577 . 1 1 48 48 ILE HG23 H 1 0.435 0.020 . 1 . . . . 626 Ile HG23 . 19187 1 578 . 1 1 48 48 ILE HD11 H 1 0.679 0.020 . 1 . . . . 626 Ile HD11 . 19187 1 579 . 1 1 48 48 ILE HD12 H 1 0.679 0.020 . 1 . . . . 626 Ile HD12 . 19187 1 580 . 1 1 48 48 ILE HD13 H 1 0.679 0.020 . 1 . . . . 626 Ile HD13 . 19187 1 581 . 1 1 48 48 ILE C C 13 177.038 0.300 . 1 . . . . 626 Ile C . 19187 1 582 . 1 1 48 48 ILE CA C 13 62.812 0.300 . 1 . . . . 626 Ile CA . 19187 1 583 . 1 1 48 48 ILE CB C 13 37.643 0.300 . 1 . . . . 626 Ile CB . 19187 1 584 . 1 1 48 48 ILE CG1 C 13 28.194 0.300 . 1 . . . . 626 Ile CG1 . 19187 1 585 . 1 1 48 48 ILE CG2 C 13 16.664 0.300 . 1 . . . . 626 Ile CG2 . 19187 1 586 . 1 1 48 48 ILE CD1 C 13 12.060 0.300 . 1 . . . . 626 Ile CD1 . 19187 1 587 . 1 1 48 48 ILE N N 15 120.138 0.250 . 1 . . . . 626 Ile N . 19187 1 588 . 1 1 49 49 LEU H H 1 7.246 0.020 . 1 . . . . 627 Leu H . 19187 1 589 . 1 1 49 49 LEU HA H 1 3.726 0.020 . 1 . . . . 627 Leu HA . 19187 1 590 . 1 1 49 49 LEU HB2 H 1 1.832 0.020 . 2 . . . . 627 Leu HB2 . 19187 1 591 . 1 1 49 49 LEU HB3 H 1 1.211 0.020 . 2 . . . . 627 Leu HB3 . 19187 1 592 . 1 1 49 49 LEU HG H 1 1.673 0.020 . 1 . . . . 627 Leu HG . 19187 1 593 . 1 1 49 49 LEU HD11 H 1 0.725 0.020 . 2 . . . . 627 Leu HD11 . 19187 1 594 . 1 1 49 49 LEU HD12 H 1 0.725 0.020 . 2 . . . . 627 Leu HD12 . 19187 1 595 . 1 1 49 49 LEU HD13 H 1 0.725 0.020 . 2 . . . . 627 Leu HD13 . 19187 1 596 . 1 1 49 49 LEU HD21 H 1 0.637 0.020 . 2 . . . . 627 Leu HD21 . 19187 1 597 . 1 1 49 49 LEU HD22 H 1 0.637 0.020 . 2 . . . . 627 Leu HD22 . 19187 1 598 . 1 1 49 49 LEU HD23 H 1 0.637 0.020 . 2 . . . . 627 Leu HD23 . 19187 1 599 . 1 1 49 49 LEU C C 13 178.829 0.300 . 1 . . . . 627 Leu C . 19187 1 600 . 1 1 49 49 LEU CA C 13 57.655 0.300 . 1 . . . . 627 Leu CA . 19187 1 601 . 1 1 49 49 LEU CB C 13 41.443 0.300 . 1 . . . . 627 Leu CB . 19187 1 602 . 1 1 49 49 LEU CG C 13 25.872 0.300 . 1 . . . . 627 Leu CG . 19187 1 603 . 1 1 49 49 LEU CD1 C 13 27.298 0.300 . 2 . . . . 627 Leu CD1 . 19187 1 604 . 1 1 49 49 LEU CD2 C 13 23.626 0.300 . 2 . . . . 627 Leu CD2 . 19187 1 605 . 1 1 49 49 LEU N N 15 119.593 0.250 . 1 . . . . 627 Leu N . 19187 1 606 . 1 1 50 50 ILE H H 1 8.156 0.020 . 1 . . . . 628 Ile H . 19187 1 607 . 1 1 50 50 ILE HA H 1 3.422 0.020 . 1 . . . . 628 Ile HA . 19187 1 608 . 1 1 50 50 ILE HB H 1 1.816 0.020 . 1 . . . . 628 Ile HB . 19187 1 609 . 1 1 50 50 ILE HG12 H 1 1.701 0.020 . 2 . . . . 628 Ile HG12 . 19187 1 610 . 1 1 50 50 ILE HG13 H 1 0.864 0.020 . 2 . . . . 628 Ile HG13 . 19187 1 611 . 1 1 50 50 ILE HG21 H 1 0.888 0.020 . 1 . . . . 628 Ile HG21 . 19187 1 612 . 1 1 50 50 ILE HG22 H 1 0.888 0.020 . 1 . . . . 628 Ile HG22 . 19187 1 613 . 1 1 50 50 ILE HG23 H 1 0.888 0.020 . 1 . . . . 628 Ile HG23 . 19187 1 614 . 1 1 50 50 ILE HD11 H 1 0.765 0.020 . 1 . . . . 628 Ile HD11 . 19187 1 615 . 1 1 50 50 ILE HD12 H 1 0.765 0.020 . 1 . . . . 628 Ile HD12 . 19187 1 616 . 1 1 50 50 ILE HD13 H 1 0.765 0.020 . 1 . . . . 628 Ile HD13 . 19187 1 617 . 1 1 50 50 ILE C C 13 178.542 0.300 . 1 . . . . 628 Ile C . 19187 1 618 . 1 1 50 50 ILE CA C 13 66.269 0.300 . 1 . . . . 628 Ile CA . 19187 1 619 . 1 1 50 50 ILE CB C 13 38.197 0.300 . 1 . . . . 628 Ile CB . 19187 1 620 . 1 1 50 50 ILE CG1 C 13 30.146 0.300 . 1 . . . . 628 Ile CG1 . 19187 1 621 . 1 1 50 50 ILE CG2 C 13 17.407 0.300 . 1 . . . . 628 Ile CG2 . 19187 1 622 . 1 1 50 50 ILE CD1 C 13 13.547 0.300 . 1 . . . . 628 Ile CD1 . 19187 1 623 . 1 1 50 50 ILE N N 15 117.405 0.250 . 1 . . . . 628 Ile N . 19187 1 624 . 1 1 51 51 THR H H 1 7.527 0.020 . 1 . . . . 629 Thr H . 19187 1 625 . 1 1 51 51 THR HA H 1 3.954 0.020 . 1 . . . . 629 Thr HA . 19187 1 626 . 1 1 51 51 THR HB H 1 4.207 0.020 . 1 . . . . 629 Thr HB . 19187 1 627 . 1 1 51 51 THR HG21 H 1 1.251 0.020 . 1 . . . . 629 Thr HG21 . 19187 1 628 . 1 1 51 51 THR HG22 H 1 1.251 0.020 . 1 . . . . 629 Thr HG22 . 19187 1 629 . 1 1 51 51 THR HG23 H 1 1.251 0.020 . 1 . . . . 629 Thr HG23 . 19187 1 630 . 1 1 51 51 THR C C 13 176.833 0.300 . 1 . . . . 629 Thr C . 19187 1 631 . 1 1 51 51 THR CA C 13 66.511 0.300 . 1 . . . . 629 Thr CA . 19187 1 632 . 1 1 51 51 THR CB C 13 68.523 0.300 . 1 . . . . 629 Thr CB . 19187 1 633 . 1 1 51 51 THR CG2 C 13 21.893 0.300 . 1 . . . . 629 Thr CG2 . 19187 1 634 . 1 1 51 51 THR N N 15 115.137 0.250 . 1 . . . . 629 Thr N . 19187 1 635 . 1 1 52 52 GLU H H 1 8.573 0.020 . 1 . . . . 630 Glu H . 19187 1 636 . 1 1 52 52 GLU HA H 1 4.133 0.020 . 1 . . . . 630 Glu HA . 19187 1 637 . 1 1 52 52 GLU HB2 H 1 2.112 0.020 . 2 . . . . 630 Glu HB2 . 19187 1 638 . 1 1 52 52 GLU HB3 H 1 1.933 0.020 . 2 . . . . 630 Glu HB3 . 19187 1 639 . 1 1 52 52 GLU HG2 H 1 2.458 0.020 . 2 . . . . 630 Glu HG2 . 19187 1 640 . 1 1 52 52 GLU HG3 H 1 2.416 0.020 . 2 . . . . 630 Glu HG3 . 19187 1 641 . 1 1 52 52 GLU C C 13 179.171 0.300 . 1 . . . . 630 Glu C . 19187 1 642 . 1 1 52 52 GLU CA C 13 59.265 0.300 . 1 . . . . 630 Glu CA . 19187 1 643 . 1 1 52 52 GLU CB C 13 30.192 0.300 . 1 . . . . 630 Glu CB . 19187 1 644 . 1 1 52 52 GLU CG C 13 36.140 0.300 . 1 . . . . 630 Glu CG . 19187 1 645 . 1 1 52 52 GLU N N 15 120.956 0.250 . 1 . . . . 630 Glu N . 19187 1 646 . 1 1 53 53 MET H H 1 8.441 0.020 . 1 . . . . 631 Met H . 19187 1 647 . 1 1 53 53 MET HA H 1 4.386 0.020 . 1 . . . . 631 Met HA . 19187 1 648 . 1 1 53 53 MET HB2 H 1 2.280 0.020 . 2 . . . . 631 Met HB2 . 19187 1 649 . 1 1 53 53 MET HB3 H 1 1.853 0.020 . 2 . . . . 631 Met HB3 . 19187 1 650 . 1 1 53 53 MET HG2 H 1 2.815 0.020 . 2 . . . . 631 Met HG2 . 19187 1 651 . 1 1 53 53 MET HG3 H 1 2.429 0.020 . 2 . . . . 631 Met HG3 . 19187 1 652 . 1 1 53 53 MET HE1 H 1 1.855 0.020 . 1 . . . . 631 Met HE1 . 19187 1 653 . 1 1 53 53 MET HE2 H 1 1.855 0.020 . 1 . . . . 631 Met HE2 . 19187 1 654 . 1 1 53 53 MET HE3 H 1 1.855 0.020 . 1 . . . . 631 Met HE3 . 19187 1 655 . 1 1 53 53 MET C C 13 179.527 0.300 . 1 . . . . 631 Met C . 19187 1 656 . 1 1 53 53 MET CA C 13 57.407 0.300 . 1 . . . . 631 Met CA . 19187 1 657 . 1 1 53 53 MET CB C 13 30.912 0.300 . 1 . . . . 631 Met CB . 19187 1 658 . 1 1 53 53 MET CG C 13 33.420 0.300 . 1 . . . . 631 Met CG . 19187 1 659 . 1 1 53 53 MET CE C 13 16.262 0.300 . 1 . . . . 631 Met CE . 19187 1 660 . 1 1 53 53 MET N N 15 118.646 0.250 . 1 . . . . 631 Met N . 19187 1 661 . 1 1 54 54 MET H H 1 7.593 0.020 . 1 . . . . 632 Met H . 19187 1 662 . 1 1 54 54 MET HA H 1 4.314 0.020 . 1 . . . . 632 Met HA . 19187 1 663 . 1 1 54 54 MET HB2 H 1 2.293 0.020 . 2 . . . . 632 Met HB2 . 19187 1 664 . 1 1 54 54 MET HB3 H 1 2.293 0.020 . 2 . . . . 632 Met HB3 . 19187 1 665 . 1 1 54 54 MET HG2 H 1 2.769 0.020 . 2 . . . . 632 Met HG2 . 19187 1 666 . 1 1 54 54 MET HG3 H 1 2.526 0.020 . 2 . . . . 632 Met HG3 . 19187 1 667 . 1 1 54 54 MET HE1 H 1 2.062 0.020 . 1 . . . . 632 Met HE1 . 19187 1 668 . 1 1 54 54 MET HE2 H 1 2.062 0.020 . 1 . . . . 632 Met HE2 . 19187 1 669 . 1 1 54 54 MET HE3 H 1 2.062 0.020 . 1 . . . . 632 Met HE3 . 19187 1 670 . 1 1 54 54 MET C C 13 178.775 0.300 . 1 . . . . 632 Met C . 19187 1 671 . 1 1 54 54 MET CA C 13 58.491 0.300 . 1 . . . . 632 Met CA . 19187 1 672 . 1 1 54 54 MET CB C 13 32.234 0.300 . 1 . . . . 632 Met CB . 19187 1 673 . 1 1 54 54 MET CG C 13 31.765 0.300 . 1 . . . . 632 Met CG . 19187 1 674 . 1 1 54 54 MET CE C 13 16.949 0.300 . 1 . . . . 632 Met CE . 19187 1 675 . 1 1 54 54 MET N N 15 118.707 0.250 . 1 . . . . 632 Met N . 19187 1 676 . 1 1 55 55 ASP H H 1 8.642 0.020 . 1 . . . . 633 Asp H . 19187 1 677 . 1 1 55 55 ASP HA H 1 4.299 0.020 . 1 . . . . 633 Asp HA . 19187 1 678 . 1 1 55 55 ASP HB2 H 1 2.611 0.020 . 2 . . . . 633 Asp HB2 . 19187 1 679 . 1 1 55 55 ASP HB3 H 1 2.555 0.020 . 2 . . . . 633 Asp HB3 . 19187 1 680 . 1 1 55 55 ASP C C 13 178.654 0.300 . 1 . . . . 633 Asp C . 19187 1 681 . 1 1 55 55 ASP CA C 13 57.504 0.300 . 1 . . . . 633 Asp CA . 19187 1 682 . 1 1 55 55 ASP CB C 13 41.242 0.300 . 1 . . . . 633 Asp CB . 19187 1 683 . 1 1 55 55 ASP N N 15 120.363 0.250 . 1 . . . . 633 Asp N . 19187 1 684 . 1 1 56 56 ARG H H 1 8.737 0.020 . 1 . . . . 634 Arg H . 19187 1 685 . 1 1 56 56 ARG HA H 1 3.960 0.020 . 1 . . . . 634 Arg HA . 19187 1 686 . 1 1 56 56 ARG HB2 H 1 0.843 0.020 . 2 . . . . 634 Arg HB2 . 19187 1 687 . 1 1 56 56 ARG HB3 H 1 0.633 0.020 . 2 . . . . 634 Arg HB3 . 19187 1 688 . 1 1 56 56 ARG HG2 H 1 1.760 0.020 . 2 . . . . 634 Arg HG2 . 19187 1 689 . 1 1 56 56 ARG HG3 H 1 1.348 0.020 . 2 . . . . 634 Arg HG3 . 19187 1 690 . 1 1 56 56 ARG HD2 H 1 3.055 0.020 . 2 . . . . 634 Arg HD2 . 19187 1 691 . 1 1 56 56 ARG HD3 H 1 2.486 0.020 . 2 . . . . 634 Arg HD3 . 19187 1 692 . 1 1 56 56 ARG C C 13 179.130 0.300 . 1 . . . . 634 Arg C . 19187 1 693 . 1 1 56 56 ARG CA C 13 58.457 0.300 . 1 . . . . 634 Arg CA . 19187 1 694 . 1 1 56 56 ARG CB C 13 29.768 0.300 . 1 . . . . 634 Arg CB . 19187 1 695 . 1 1 56 56 ARG CG C 13 27.066 0.300 . 1 . . . . 634 Arg CG . 19187 1 696 . 1 1 56 56 ARG CD C 13 43.910 0.300 . 1 . . . . 634 Arg CD . 19187 1 697 . 1 1 56 56 ARG N N 15 114.195 0.250 . 1 . . . . 634 Arg N . 19187 1 698 . 1 1 57 57 TYR H H 1 6.667 0.020 . 1 . . . . 635 Tyr H . 19187 1 699 . 1 1 57 57 TYR HA H 1 5.115 0.020 . 1 . . . . 635 Tyr HA . 19187 1 700 . 1 1 57 57 TYR HB2 H 1 3.387 0.020 . 2 . . . . 635 Tyr HB2 . 19187 1 701 . 1 1 57 57 TYR HB3 H 1 2.962 0.020 . 2 . . . . 635 Tyr HB3 . 19187 1 702 . 1 1 57 57 TYR HD1 H 1 7.325 0.020 . 3 . . . . 635 Tyr HD1 . 19187 1 703 . 1 1 57 57 TYR HD2 H 1 7.325 0.020 . 3 . . . . 635 Tyr HD2 . 19187 1 704 . 1 1 57 57 TYR HE1 H 1 6.734 0.020 . 3 . . . . 635 Tyr HE1 . 19187 1 705 . 1 1 57 57 TYR HE2 H 1 6.734 0.020 . 3 . . . . 635 Tyr HE2 . 19187 1 706 . 1 1 57 57 TYR C C 13 175.397 0.300 . 1 . . . . 635 Tyr C . 19187 1 707 . 1 1 57 57 TYR CA C 13 55.745 0.300 . 1 . . . . 635 Tyr CA . 19187 1 708 . 1 1 57 57 TYR CB C 13 39.947 0.300 . 1 . . . . 635 Tyr CB . 19187 1 709 . 1 1 57 57 TYR CD1 C 13 133.830 0.300 . 3 . . . . 635 Tyr CD1 . 19187 1 710 . 1 1 57 57 TYR CD2 C 13 133.830 0.300 . 3 . . . . 635 Tyr CD2 . 19187 1 711 . 1 1 57 57 TYR CE1 C 13 118.632 0.300 . 3 . . . . 635 Tyr CE1 . 19187 1 712 . 1 1 57 57 TYR CE2 C 13 118.632 0.300 . 3 . . . . 635 Tyr CE2 . 19187 1 713 . 1 1 57 57 TYR N N 15 112.533 0.250 . 1 . . . . 635 Tyr N . 19187 1 714 . 1 1 58 58 ASN H H 1 8.193 0.020 . 1 . . . . 636 Asn H . 19187 1 715 . 1 1 58 58 ASN HA H 1 4.820 0.020 . 1 . . . . 636 Asn HA . 19187 1 716 . 1 1 58 58 ASN HB2 H 1 3.215 0.020 . 2 . . . . 636 Asn HB2 . 19187 1 717 . 1 1 58 58 ASN HB3 H 1 2.698 0.020 . 2 . . . . 636 Asn HB3 . 19187 1 718 . 1 1 58 58 ASN C C 13 174.604 0.300 . 1 . . . . 636 Asn C . 19187 1 719 . 1 1 58 58 ASN CA C 13 54.437 0.300 . 1 . . . . 636 Asn CA . 19187 1 720 . 1 1 58 58 ASN CB C 13 37.706 0.300 . 1 . . . . 636 Asn CB . 19187 1 721 . 1 1 58 58 ASN N N 15 117.751 0.250 . 1 . . . . 636 Asn N . 19187 1 722 . 1 1 59 59 VAL H H 1 7.367 0.020 . 1 . . . . 637 Val H . 19187 1 723 . 1 1 59 59 VAL HA H 1 4.233 0.020 . 1 . . . . 637 Val HA . 19187 1 724 . 1 1 59 59 VAL HB H 1 1.729 0.020 . 1 . . . . 637 Val HB . 19187 1 725 . 1 1 59 59 VAL HG11 H 1 0.919 0.020 . 2 . . . . 637 Val HG11 . 19187 1 726 . 1 1 59 59 VAL HG12 H 1 0.919 0.020 . 2 . . . . 637 Val HG12 . 19187 1 727 . 1 1 59 59 VAL HG13 H 1 0.919 0.020 . 2 . . . . 637 Val HG13 . 19187 1 728 . 1 1 59 59 VAL HG21 H 1 0.801 0.020 . 2 . . . . 637 Val HG21 . 19187 1 729 . 1 1 59 59 VAL HG22 H 1 0.801 0.020 . 2 . . . . 637 Val HG22 . 19187 1 730 . 1 1 59 59 VAL HG23 H 1 0.801 0.020 . 2 . . . . 637 Val HG23 . 19187 1 731 . 1 1 59 59 VAL C C 13 174.754 0.300 . 1 . . . . 637 Val C . 19187 1 732 . 1 1 59 59 VAL CA C 13 61.170 0.300 . 1 . . . . 637 Val CA . 19187 1 733 . 1 1 59 59 VAL CB C 13 32.869 0.300 . 1 . . . . 637 Val CB . 19187 1 734 . 1 1 59 59 VAL CG1 C 13 22.569 0.300 . 2 . . . . 637 Val CG1 . 19187 1 735 . 1 1 59 59 VAL CG2 C 13 21.417 0.300 . 2 . . . . 637 Val CG2 . 19187 1 736 . 1 1 59 59 VAL N N 15 117.543 0.250 . 1 . . . . 637 Val N . 19187 1 737 . 1 1 60 60 SER H H 1 8.250 0.020 . 1 . . . . 638 Ser H . 19187 1 738 . 1 1 60 60 SER HA H 1 4.360 0.020 . 1 . . . . 638 Ser HA . 19187 1 739 . 1 1 60 60 SER HB2 H 1 4.291 0.020 . 2 . . . . 638 Ser HB2 . 19187 1 740 . 1 1 60 60 SER HB3 H 1 3.998 0.020 . 2 . . . . 638 Ser HB3 . 19187 1 741 . 1 1 60 60 SER C C 13 174.743 0.300 . 1 . . . . 638 Ser C . 19187 1 742 . 1 1 60 60 SER CA C 13 58.069 0.300 . 1 . . . . 638 Ser CA . 19187 1 743 . 1 1 60 60 SER CB C 13 64.864 0.300 . 1 . . . . 638 Ser CB . 19187 1 744 . 1 1 60 60 SER N N 15 121.191 0.250 . 1 . . . . 638 Ser N . 19187 1 745 . 1 1 61 61 GLU H H 1 8.679 0.020 . 1 . . . . 639 Glu H . 19187 1 746 . 1 1 61 61 GLU HA H 1 3.846 0.020 . 1 . . . . 639 Glu HA . 19187 1 747 . 1 1 61 61 GLU HB2 H 1 2.133 0.020 . 2 . . . . 639 Glu HB2 . 19187 1 748 . 1 1 61 61 GLU HB3 H 1 1.955 0.020 . 2 . . . . 639 Glu HB3 . 19187 1 749 . 1 1 61 61 GLU HG2 H 1 2.187 0.020 . 1 . . . . 639 Glu HG2 . 19187 1 750 . 1 1 61 61 GLU HG3 H 1 2.187 0.020 . 1 . . . . 639 Glu HG3 . 19187 1 751 . 1 1 61 61 GLU C C 13 178.159 0.300 . 1 . . . . 639 Glu C . 19187 1 752 . 1 1 61 61 GLU CA C 13 60.562 0.300 . 1 . . . . 639 Glu CA . 19187 1 753 . 1 1 61 61 GLU CB C 13 29.647 0.300 . 1 . . . . 639 Glu CB . 19187 1 754 . 1 1 61 61 GLU CG C 13 35.729 0.300 . 1 . . . . 639 Glu CG . 19187 1 755 . 1 1 61 61 GLU N N 15 123.131 0.250 . 1 . . . . 639 Glu N . 19187 1 756 . 1 1 62 62 GLU H H 1 8.838 0.020 . 1 . . . . 640 Glu H . 19187 1 757 . 1 1 62 62 GLU HA H 1 4.114 0.020 . 1 . . . . 640 Glu HA . 19187 1 758 . 1 1 62 62 GLU HB2 H 1 2.038 0.020 . 2 . . . . 640 Glu HB2 . 19187 1 759 . 1 1 62 62 GLU HB3 H 1 1.967 0.020 . 2 . . . . 640 Glu HB3 . 19187 1 760 . 1 1 62 62 GLU HG2 H 1 2.316 0.020 . 2 . . . . 640 Glu HG2 . 19187 1 761 . 1 1 62 62 GLU HG3 H 1 2.280 0.020 . 2 . . . . 640 Glu HG3 . 19187 1 762 . 1 1 62 62 GLU C C 13 179.595 0.300 . 1 . . . . 640 Glu C . 19187 1 763 . 1 1 62 62 GLU CA C 13 59.171 0.300 . 1 . . . . 640 Glu CA . 19187 1 764 . 1 1 62 62 GLU CB C 13 28.657 0.300 . 1 . . . . 640 Glu CB . 19187 1 765 . 1 1 62 62 GLU CG C 13 36.274 0.300 . 1 . . . . 640 Glu CG . 19187 1 766 . 1 1 62 62 GLU N N 15 117.596 0.250 . 1 . . . . 640 Glu N . 19187 1 767 . 1 1 63 63 LYS H H 1 7.517 0.020 . 1 . . . . 641 Lys H . 19187 1 768 . 1 1 63 63 LYS HA H 1 4.237 0.020 . 1 . . . . 641 Lys HA . 19187 1 769 . 1 1 63 63 LYS HB2 H 1 1.915 0.020 . 2 . . . . 641 Lys HB2 . 19187 1 770 . 1 1 63 63 LYS HB3 H 1 1.918 0.020 . 2 . . . . 641 Lys HB3 . 19187 1 771 . 1 1 63 63 LYS HG2 H 1 1.474 0.020 . 2 . . . . 641 Lys HG2 . 19187 1 772 . 1 1 63 63 LYS HG3 H 1 1.285 0.020 . 2 . . . . 641 Lys HG3 . 19187 1 773 . 1 1 63 63 LYS HD2 H 1 1.707 0.020 . 2 . . . . 641 Lys HD2 . 19187 1 774 . 1 1 63 63 LYS HD3 H 1 1.705 0.020 . 2 . . . . 641 Lys HD3 . 19187 1 775 . 1 1 63 63 LYS HE2 H 1 2.927 0.020 . 2 . . . . 641 Lys HE2 . 19187 1 776 . 1 1 63 63 LYS HE3 H 1 2.820 0.020 . 2 . . . . 641 Lys HE3 . 19187 1 777 . 1 1 63 63 LYS C C 13 178.993 0.300 . 1 . . . . 641 Lys C . 19187 1 778 . 1 1 63 63 LYS CA C 13 57.260 0.300 . 1 . . . . 641 Lys CA . 19187 1 779 . 1 1 63 63 LYS CB C 13 30.738 0.300 . 1 . . . . 641 Lys CB . 19187 1 780 . 1 1 63 63 LYS CG C 13 24.724 0.300 . 1 . . . . 641 Lys CG . 19187 1 781 . 1 1 63 63 LYS CD C 13 27.497 0.300 . 1 . . . . 641 Lys CD . 19187 1 782 . 1 1 63 63 LYS CE C 13 41.704 0.300 . 1 . . . . 641 Lys CE . 19187 1 783 . 1 1 63 63 LYS N N 15 120.963 0.250 . 1 . . . . 641 Lys N . 19187 1 784 . 1 1 64 64 VAL H H 1 8.382 0.020 . 1 . . . . 642 Val H . 19187 1 785 . 1 1 64 64 VAL HA H 1 3.387 0.020 . 1 . . . . 642 Val HA . 19187 1 786 . 1 1 64 64 VAL HB H 1 2.217 0.020 . 1 . . . . 642 Val HB . 19187 1 787 . 1 1 64 64 VAL HG11 H 1 0.988 0.020 . 2 . . . . 642 Val HG11 . 19187 1 788 . 1 1 64 64 VAL HG12 H 1 0.988 0.020 . 2 . . . . 642 Val HG12 . 19187 1 789 . 1 1 64 64 VAL HG13 H 1 0.988 0.020 . 2 . . . . 642 Val HG13 . 19187 1 790 . 1 1 64 64 VAL HG21 H 1 0.895 0.020 . 2 . . . . 642 Val HG21 . 19187 1 791 . 1 1 64 64 VAL HG22 H 1 0.895 0.020 . 2 . . . . 642 Val HG22 . 19187 1 792 . 1 1 64 64 VAL HG23 H 1 0.895 0.020 . 2 . . . . 642 Val HG23 . 19187 1 793 . 1 1 64 64 VAL C C 13 177.954 0.300 . 1 . . . . 642 Val C . 19187 1 794 . 1 1 64 64 VAL CA C 13 67.592 0.300 . 1 . . . . 642 Val CA . 19187 1 795 . 1 1 64 64 VAL CB C 13 30.787 0.300 . 1 . . . . 642 Val CB . 19187 1 796 . 1 1 64 64 VAL CG1 C 13 25.212 0.300 . 2 . . . . 642 Val CG1 . 19187 1 797 . 1 1 64 64 VAL CG2 C 13 23.363 0.300 . 2 . . . . 642 Val CG2 . 19187 1 798 . 1 1 64 64 VAL N N 15 120.825 0.250 . 1 . . . . 642 Val N . 19187 1 799 . 1 1 65 65 GLU H H 1 8.385 0.020 . 1 . . . . 643 Glu H . 19187 1 800 . 1 1 65 65 GLU HA H 1 3.932 0.020 . 1 . . . . 643 Glu HA . 19187 1 801 . 1 1 65 65 GLU HB2 H 1 2.129 0.020 . 2 . . . . 643 Glu HB2 . 19187 1 802 . 1 1 65 65 GLU HB3 H 1 2.010 0.020 . 2 . . . . 643 Glu HB3 . 19187 1 803 . 1 1 65 65 GLU HG2 H 1 2.457 0.020 . 2 . . . . 643 Glu HG2 . 19187 1 804 . 1 1 65 65 GLU HG3 H 1 2.128 0.020 . 2 . . . . 643 Glu HG3 . 19187 1 805 . 1 1 65 65 GLU C C 13 179.540 0.300 . 1 . . . . 643 Glu C . 19187 1 806 . 1 1 65 65 GLU CA C 13 60.124 0.300 . 1 . . . . 643 Glu CA . 19187 1 807 . 1 1 65 65 GLU CB C 13 29.119 0.300 . 1 . . . . 643 Glu CB . 19187 1 808 . 1 1 65 65 GLU CG C 13 36.336 0.300 . 1 . . . . 643 Glu CG . 19187 1 809 . 1 1 65 65 GLU N N 15 117.568 0.250 . 1 . . . . 643 Glu N . 19187 1 810 . 1 1 66 66 GLU H H 1 7.505 0.020 . 1 . . . . 644 Glu H . 19187 1 811 . 1 1 66 66 GLU HA H 1 4.111 0.020 . 1 . . . . 644 Glu HA . 19187 1 812 . 1 1 66 66 GLU HB2 H 1 2.295 0.020 . 2 . . . . 644 Glu HB2 . 19187 1 813 . 1 1 66 66 GLU HB3 H 1 2.161 0.020 . 2 . . . . 644 Glu HB3 . 19187 1 814 . 1 1 66 66 GLU HG2 H 1 2.369 0.020 . 2 . . . . 644 Glu HG2 . 19187 1 815 . 1 1 66 66 GLU HG3 H 1 2.211 0.020 . 2 . . . . 644 Glu HG3 . 19187 1 816 . 1 1 66 66 GLU C C 13 177.804 0.300 . 1 . . . . 644 Glu C . 19187 1 817 . 1 1 66 66 GLU CA C 13 59.419 0.300 . 1 . . . . 644 Glu CA . 19187 1 818 . 1 1 66 66 GLU CB C 13 29.787 0.300 . 1 . . . . 644 Glu CB . 19187 1 819 . 1 1 66 66 GLU CG C 13 36.015 0.300 . 1 . . . . 644 Glu CG . 19187 1 820 . 1 1 66 66 GLU N N 15 121.061 0.250 . 1 . . . . 644 Glu N . 19187 1 821 . 1 1 67 67 LEU H H 1 8.089 0.020 . 1 . . . . 645 Leu H . 19187 1 822 . 1 1 67 67 LEU HA H 1 4.016 0.020 . 1 . . . . 645 Leu HA . 19187 1 823 . 1 1 67 67 LEU HB2 H 1 2.093 0.020 . 2 . . . . 645 Leu HB2 . 19187 1 824 . 1 1 67 67 LEU HB3 H 1 1.158 0.020 . 2 . . . . 645 Leu HB3 . 19187 1 825 . 1 1 67 67 LEU HG H 1 1.977 0.020 . 1 . . . . 645 Leu HG . 19187 1 826 . 1 1 67 67 LEU HD11 H 1 0.585 0.020 . 2 . . . . 645 Leu HD11 . 19187 1 827 . 1 1 67 67 LEU HD12 H 1 0.585 0.020 . 2 . . . . 645 Leu HD12 . 19187 1 828 . 1 1 67 67 LEU HD13 H 1 0.585 0.020 . 2 . . . . 645 Leu HD13 . 19187 1 829 . 1 1 67 67 LEU HD21 H 1 0.162 0.020 . 2 . . . . 645 Leu HD21 . 19187 1 830 . 1 1 67 67 LEU HD22 H 1 0.162 0.020 . 2 . . . . 645 Leu HD22 . 19187 1 831 . 1 1 67 67 LEU HD23 H 1 0.162 0.020 . 2 . . . . 645 Leu HD23 . 19187 1 832 . 1 1 67 67 LEU C C 13 179.445 0.300 . 1 . . . . 645 Leu C . 19187 1 833 . 1 1 67 67 LEU CA C 13 58.195 0.300 . 1 . . . . 645 Leu CA . 19187 1 834 . 1 1 67 67 LEU CB C 13 42.310 0.300 . 1 . . . . 645 Leu CB . 19187 1 835 . 1 1 67 67 LEU CG C 13 25.844 0.300 . 1 . . . . 645 Leu CG . 19187 1 836 . 1 1 67 67 LEU CD1 C 13 26.609 0.300 . 2 . . . . 645 Leu CD1 . 19187 1 837 . 1 1 67 67 LEU CD2 C 13 22.169 0.300 . 2 . . . . 645 Leu CD2 . 19187 1 838 . 1 1 67 67 LEU N N 15 118.516 0.250 . 1 . . . . 645 Leu N . 19187 1 839 . 1 1 68 68 ILE H H 1 8.371 0.020 . 1 . . . . 646 Ile H . 19187 1 840 . 1 1 68 68 ILE HA H 1 3.400 0.020 . 1 . . . . 646 Ile HA . 19187 1 841 . 1 1 68 68 ILE HB H 1 1.890 0.020 . 1 . . . . 646 Ile HB . 19187 1 842 . 1 1 68 68 ILE HG12 H 1 1.891 0.020 . 2 . . . . 646 Ile HG12 . 19187 1 843 . 1 1 68 68 ILE HG13 H 1 0.634 0.020 . 2 . . . . 646 Ile HG13 . 19187 1 844 . 1 1 68 68 ILE HG21 H 1 0.885 0.020 . 1 . . . . 646 Ile HG21 . 19187 1 845 . 1 1 68 68 ILE HG22 H 1 0.885 0.020 . 1 . . . . 646 Ile HG22 . 19187 1 846 . 1 1 68 68 ILE HG23 H 1 0.885 0.020 . 1 . . . . 646 Ile HG23 . 19187 1 847 . 1 1 68 68 ILE HD11 H 1 0.724 0.020 . 1 . . . . 646 Ile HD11 . 19187 1 848 . 1 1 68 68 ILE HD12 H 1 0.724 0.020 . 1 . . . . 646 Ile HD12 . 19187 1 849 . 1 1 68 68 ILE HD13 H 1 0.724 0.020 . 1 . . . . 646 Ile HD13 . 19187 1 850 . 1 1 68 68 ILE C C 13 177.380 0.300 . 1 . . . . 646 Ile C . 19187 1 851 . 1 1 68 68 ILE CA C 13 66.082 0.300 . 1 . . . . 646 Ile CA . 19187 1 852 . 1 1 68 68 ILE CB C 13 38.564 0.300 . 1 . . . . 646 Ile CB . 19187 1 853 . 1 1 68 68 ILE CG1 C 13 30.550 0.300 . 1 . . . . 646 Ile CG1 . 19187 1 854 . 1 1 68 68 ILE CG2 C 13 17.301 0.300 . 1 . . . . 646 Ile CG2 . 19187 1 855 . 1 1 68 68 ILE CD1 C 13 14.356 0.300 . 1 . . . . 646 Ile CD1 . 19187 1 856 . 1 1 68 68 ILE N N 15 117.585 0.250 . 1 . . . . 646 Ile N . 19187 1 857 . 1 1 69 69 ARG H H 1 7.889 0.020 . 1 . . . . 647 Arg H . 19187 1 858 . 1 1 69 69 ARG HA H 1 3.903 0.020 . 1 . . . . 647 Arg HA . 19187 1 859 . 1 1 69 69 ARG HB2 H 1 2.103 0.020 . 2 . . . . 647 Arg HB2 . 19187 1 860 . 1 1 69 69 ARG HB3 H 1 2.017 0.020 . 2 . . . . 647 Arg HB3 . 19187 1 861 . 1 1 69 69 ARG HG2 H 1 1.806 0.020 . 2 . . . . 647 Arg HG2 . 19187 1 862 . 1 1 69 69 ARG HG3 H 1 1.655 0.020 . 2 . . . . 647 Arg HG3 . 19187 1 863 . 1 1 69 69 ARG HD2 H 1 3.289 0.020 . 2 . . . . 647 Arg HD2 . 19187 1 864 . 1 1 69 69 ARG HD3 H 1 3.258 0.020 . 2 . . . . 647 Arg HD3 . 19187 1 865 . 1 1 69 69 ARG C C 13 179.308 0.300 . 1 . . . . 647 Arg C . 19187 1 866 . 1 1 69 69 ARG CA C 13 60.186 0.300 . 1 . . . . 647 Arg CA . 19187 1 867 . 1 1 69 69 ARG CB C 13 30.089 0.300 . 1 . . . . 647 Arg CB . 19187 1 868 . 1 1 69 69 ARG CG C 13 27.318 0.300 . 1 . . . . 647 Arg CG . 19187 1 869 . 1 1 69 69 ARG CD C 13 43.351 0.300 . 1 . . . . 647 Arg CD . 19187 1 870 . 1 1 69 69 ARG N N 15 119.714 0.250 . 1 . . . . 647 Arg N . 19187 1 871 . 1 1 70 70 ILE H H 1 8.321 0.020 . 1 . . . . 648 Ile H . 19187 1 872 . 1 1 70 70 ILE HA H 1 3.838 0.020 . 1 . . . . 648 Ile HA . 19187 1 873 . 1 1 70 70 ILE HB H 1 2.078 0.020 . 1 . . . . 648 Ile HB . 19187 1 874 . 1 1 70 70 ILE HG12 H 1 1.971 0.020 . 2 . . . . 648 Ile HG12 . 19187 1 875 . 1 1 70 70 ILE HG13 H 1 1.218 0.020 . 2 . . . . 648 Ile HG13 . 19187 1 876 . 1 1 70 70 ILE HG21 H 1 0.897 0.020 . 1 . . . . 648 Ile HG21 . 19187 1 877 . 1 1 70 70 ILE HG22 H 1 0.897 0.020 . 1 . . . . 648 Ile HG22 . 19187 1 878 . 1 1 70 70 ILE HG23 H 1 0.897 0.020 . 1 . . . . 648 Ile HG23 . 19187 1 879 . 1 1 70 70 ILE HD11 H 1 1.065 0.020 . 1 . . . . 648 Ile HD11 . 19187 1 880 . 1 1 70 70 ILE HD12 H 1 1.065 0.020 . 1 . . . . 648 Ile HD12 . 19187 1 881 . 1 1 70 70 ILE HD13 H 1 1.065 0.020 . 1 . . . . 648 Ile HD13 . 19187 1 882 . 1 1 70 70 ILE C C 13 178.952 0.300 . 1 . . . . 648 Ile C . 19187 1 883 . 1 1 70 70 ILE CA C 13 65.272 0.300 . 1 . . . . 648 Ile CA . 19187 1 884 . 1 1 70 70 ILE CB C 13 38.606 0.300 . 1 . . . . 648 Ile CB . 19187 1 885 . 1 1 70 70 ILE CG1 C 13 29.389 0.300 . 1 . . . . 648 Ile CG1 . 19187 1 886 . 1 1 70 70 ILE CG2 C 13 17.607 0.300 . 1 . . . . 648 Ile CG2 . 19187 1 887 . 1 1 70 70 ILE CD1 C 13 14.213 0.300 . 1 . . . . 648 Ile CD1 . 19187 1 888 . 1 1 70 70 ILE N N 15 119.713 0.250 . 1 . . . . 648 Ile N . 19187 1 889 . 1 1 71 71 LEU H H 1 8.469 0.020 . 1 . . . . 649 Leu H . 19187 1 890 . 1 1 71 71 LEU HA H 1 4.021 0.020 . 1 . . . . 649 Leu HA . 19187 1 891 . 1 1 71 71 LEU HB2 H 1 2.093 0.020 . 2 . . . . 649 Leu HB2 . 19187 1 892 . 1 1 71 71 LEU HB3 H 1 1.313 0.020 . 2 . . . . 649 Leu HB3 . 19187 1 893 . 1 1 71 71 LEU HG H 1 2.074 0.020 . 1 . . . . 649 Leu HG . 19187 1 894 . 1 1 71 71 LEU HD11 H 1 0.976 0.020 . 2 . . . . 649 Leu HD11 . 19187 1 895 . 1 1 71 71 LEU HD12 H 1 0.976 0.020 . 2 . . . . 649 Leu HD12 . 19187 1 896 . 1 1 71 71 LEU HD13 H 1 0.976 0.020 . 2 . . . . 649 Leu HD13 . 19187 1 897 . 1 1 71 71 LEU HD21 H 1 0.741 0.020 . 2 . . . . 649 Leu HD21 . 19187 1 898 . 1 1 71 71 LEU HD22 H 1 0.741 0.020 . 2 . . . . 649 Leu HD22 . 19187 1 899 . 1 1 71 71 LEU HD23 H 1 0.741 0.020 . 2 . . . . 649 Leu HD23 . 19187 1 900 . 1 1 71 71 LEU C C 13 180.325 0.300 . 1 . . . . 649 Leu C . 19187 1 901 . 1 1 71 71 LEU CA C 13 58.092 0.300 . 1 . . . . 649 Leu CA . 19187 1 902 . 1 1 71 71 LEU CB C 13 42.181 0.300 . 1 . . . . 649 Leu CB . 19187 1 903 . 1 1 71 71 LEU CG C 13 27.062 0.300 . 1 . . . . 649 Leu CG . 19187 1 904 . 1 1 71 71 LEU CD1 C 13 26.348 0.300 . 2 . . . . 649 Leu CD1 . 19187 1 905 . 1 1 71 71 LEU CD2 C 13 22.500 0.300 . 2 . . . . 649 Leu CD2 . 19187 1 906 . 1 1 71 71 LEU N N 15 119.049 0.250 . 1 . . . . 649 Leu N . 19187 1 907 . 1 1 72 72 LYS H H 1 8.726 0.020 . 1 . . . . 650 Lys H . 19187 1 908 . 1 1 72 72 LYS HA H 1 4.373 0.020 . 1 . . . . 650 Lys HA . 19187 1 909 . 1 1 72 72 LYS HB2 H 1 2.025 0.020 . 2 . . . . 650 Lys HB2 . 19187 1 910 . 1 1 72 72 LYS HB3 H 1 2.025 0.020 . 2 . . . . 650 Lys HB3 . 19187 1 911 . 1 1 72 72 LYS HG2 H 1 1.721 0.020 . 2 . . . . 650 Lys HG2 . 19187 1 912 . 1 1 72 72 LYS HG3 H 1 1.231 0.020 . 2 . . . . 650 Lys HG3 . 19187 1 913 . 1 1 72 72 LYS HD2 H 1 1.672 0.020 . 1 . . . . 650 Lys HD2 . 19187 1 914 . 1 1 72 72 LYS HD3 H 1 1.673 0.020 . 1 . . . . 650 Lys HD3 . 19187 1 915 . 1 1 72 72 LYS HE2 H 1 2.821 0.020 . 2 . . . . 650 Lys HE2 . 19187 1 916 . 1 1 72 72 LYS HE3 H 1 2.766 0.020 . 2 . . . . 650 Lys HE3 . 19187 1 917 . 1 1 72 72 LYS C C 13 181.263 0.300 . 1 . . . . 650 Lys C . 19187 1 918 . 1 1 72 72 LYS CA C 13 59.802 0.300 . 1 . . . . 650 Lys CA . 19187 1 919 . 1 1 72 72 LYS CB C 13 32.863 0.300 . 1 . . . . 650 Lys CB . 19187 1 920 . 1 1 72 72 LYS CG C 13 26.540 0.300 . 1 . . . . 650 Lys CG . 19187 1 921 . 1 1 72 72 LYS CD C 13 30.229 0.300 . 1 . . . . 650 Lys CD . 19187 1 922 . 1 1 72 72 LYS CE C 13 41.725 0.300 . 1 . . . . 650 Lys CE . 19187 1 923 . 1 1 72 72 LYS N N 15 121.283 0.250 . 1 . . . . 650 Lys N . 19187 1 924 . 1 1 73 73 ASP H H 1 8.453 0.020 . 1 . . . . 651 Asp H . 19187 1 925 . 1 1 73 73 ASP HA H 1 4.446 0.020 . 1 . . . . 651 Asp HA . 19187 1 926 . 1 1 73 73 ASP HB2 H 1 2.955 0.020 . 2 . . . . 651 Asp HB2 . 19187 1 927 . 1 1 73 73 ASP HB3 H 1 2.754 0.020 . 2 . . . . 651 Asp HB3 . 19187 1 928 . 1 1 73 73 ASP C C 13 178.829 0.300 . 1 . . . . 651 Asp C . 19187 1 929 . 1 1 73 73 ASP CA C 13 57.580 0.300 . 1 . . . . 651 Asp CA . 19187 1 930 . 1 1 73 73 ASP CB C 13 40.515 0.300 . 1 . . . . 651 Asp CB . 19187 1 931 . 1 1 73 73 ASP N N 15 123.494 0.250 . 1 . . . . 651 Asp N . 19187 1 932 . 1 1 74 74 LYS H H 1 8.137 0.020 . 1 . . . . 652 Lys H . 19187 1 933 . 1 1 74 74 LYS HA H 1 4.287 0.020 . 1 . . . . 652 Lys HA . 19187 1 934 . 1 1 74 74 LYS HB2 H 1 1.980 0.020 . 2 . . . . 652 Lys HB2 . 19187 1 935 . 1 1 74 74 LYS HB3 H 1 1.857 0.020 . 2 . . . . 652 Lys HB3 . 19187 1 936 . 1 1 74 74 LYS HG2 H 1 1.590 0.020 . 2 . . . . 652 Lys HG2 . 19187 1 937 . 1 1 74 74 LYS HG3 H 1 1.593 0.020 . 2 . . . . 652 Lys HG3 . 19187 1 938 . 1 1 74 74 LYS HD2 H 1 1.533 0.020 . 2 . . . . 652 Lys HD2 . 19187 1 939 . 1 1 74 74 LYS HD3 H 1 1.487 0.020 . 2 . . . . 652 Lys HD3 . 19187 1 940 . 1 1 74 74 LYS HE2 H 1 2.821 0.020 . 2 . . . . 652 Lys HE2 . 19187 1 941 . 1 1 74 74 LYS HE3 H 1 2.820 0.020 . 2 . . . . 652 Lys HE3 . 19187 1 942 . 1 1 74 74 LYS C C 13 177.352 0.300 . 1 . . . . 652 Lys C . 19187 1 943 . 1 1 74 74 LYS CA C 13 56.442 0.300 . 1 . . . . 652 Lys CA . 19187 1 944 . 1 1 74 74 LYS CB C 13 32.854 0.300 . 1 . . . . 652 Lys CB . 19187 1 945 . 1 1 74 74 LYS CG C 13 25.018 0.300 . 1 . . . . 652 Lys CG . 19187 1 946 . 1 1 74 74 LYS CD C 13 28.920 0.300 . 1 . . . . 652 Lys CD . 19187 1 947 . 1 1 74 74 LYS CE C 13 41.546 0.300 . 1 . . . . 652 Lys CE . 19187 1 948 . 1 1 74 74 LYS N N 15 115.866 0.250 . 1 . . . . 652 Lys N . 19187 1 949 . 1 1 75 75 GLY H H 1 7.974 0.020 . 1 . . . . 653 Gly H . 19187 1 950 . 1 1 75 75 GLY HA2 H 1 4.129 0.020 . 2 . . . . 653 Gly HA2 . 19187 1 951 . 1 1 75 75 GLY HA3 H 1 3.914 0.020 . 2 . . . . 653 Gly HA3 . 19187 1 952 . 1 1 75 75 GLY C C 13 174.207 0.300 . 1 . . . . 653 Gly C . 19187 1 953 . 1 1 75 75 GLY CA C 13 45.486 0.300 . 1 . . . . 653 Gly CA . 19187 1 954 . 1 1 75 75 GLY N N 15 108.007 0.250 . 1 . . . . 653 Gly N . 19187 1 955 . 1 1 76 76 ALA H H 1 8.143 0.020 . 1 . . . . 654 Ala H . 19187 1 956 . 1 1 76 76 ALA HA H 1 4.456 0.020 . 1 . . . . 654 Ala HA . 19187 1 957 . 1 1 76 76 ALA HB1 H 1 1.512 0.020 . 1 . . . . 654 Ala HB1 . 19187 1 958 . 1 1 76 76 ALA HB2 H 1 1.512 0.020 . 1 . . . . 654 Ala HB2 . 19187 1 959 . 1 1 76 76 ALA HB3 H 1 1.512 0.020 . 1 . . . . 654 Ala HB3 . 19187 1 960 . 1 1 76 76 ALA C C 13 178.788 0.300 . 1 . . . . 654 Ala C . 19187 1 961 . 1 1 76 76 ALA CA C 13 53.391 0.300 . 1 . . . . 654 Ala CA . 19187 1 962 . 1 1 76 76 ALA CB C 13 20.958 0.300 . 1 . . . . 654 Ala CB . 19187 1 963 . 1 1 76 76 ALA N N 15 119.402 0.250 . 1 . . . . 654 Ala N . 19187 1 964 . 1 1 77 77 ILE H H 1 7.177 0.020 . 1 . . . . 655 Ile H . 19187 1 965 . 1 1 77 77 ILE HA H 1 5.512 0.020 . 1 . . . . 655 Ile HA . 19187 1 966 . 1 1 77 77 ILE HB H 1 1.870 0.020 . 1 . . . . 655 Ile HB . 19187 1 967 . 1 1 77 77 ILE HG12 H 1 1.109 0.020 . 2 . . . . 655 Ile HG12 . 19187 1 968 . 1 1 77 77 ILE HG13 H 1 0.746 0.020 . 2 . . . . 655 Ile HG13 . 19187 1 969 . 1 1 77 77 ILE HG21 H 1 0.852 0.020 . 1 . . . . 655 Ile HG21 . 19187 1 970 . 1 1 77 77 ILE HG22 H 1 0.852 0.020 . 1 . . . . 655 Ile HG22 . 19187 1 971 . 1 1 77 77 ILE HG23 H 1 0.852 0.020 . 1 . . . . 655 Ile HG23 . 19187 1 972 . 1 1 77 77 ILE HD11 H 1 0.935 0.020 . 1 . . . . 655 Ile HD11 . 19187 1 973 . 1 1 77 77 ILE HD12 H 1 0.935 0.020 . 1 . . . . 655 Ile HD12 . 19187 1 974 . 1 1 77 77 ILE HD13 H 1 0.935 0.020 . 1 . . . . 655 Ile HD13 . 19187 1 975 . 1 1 77 77 ILE C C 13 173.346 0.300 . 1 . . . . 655 Ile C . 19187 1 976 . 1 1 77 77 ILE CA C 13 58.284 0.300 . 1 . . . . 655 Ile CA . 19187 1 977 . 1 1 77 77 ILE CB C 13 42.901 0.300 . 1 . . . . 655 Ile CB . 19187 1 978 . 1 1 77 77 ILE CG1 C 13 24.232 0.300 . 1 . . . . 655 Ile CG1 . 19187 1 979 . 1 1 77 77 ILE CG2 C 13 18.165 0.300 . 1 . . . . 655 Ile CG2 . 19187 1 980 . 1 1 77 77 ILE CD1 C 13 15.200 0.300 . 1 . . . . 655 Ile CD1 . 19187 1 981 . 1 1 77 77 ILE N N 15 106.763 0.250 . 1 . . . . 655 Ile N . 19187 1 982 . 1 1 78 78 PHE H H 1 9.474 0.020 . 1 . . . . 656 Phe H . 19187 1 983 . 1 1 78 78 PHE HA H 1 4.877 0.020 . 1 . . . . 656 Phe HA . 19187 1 984 . 1 1 78 78 PHE HB2 H 1 3.118 0.020 . 2 . . . . 656 Phe HB2 . 19187 1 985 . 1 1 78 78 PHE HB3 H 1 2.991 0.020 . 2 . . . . 656 Phe HB3 . 19187 1 986 . 1 1 78 78 PHE HD1 H 1 7.097 0.020 . 3 . . . . 656 Phe HD1 . 19187 1 987 . 1 1 78 78 PHE HD2 H 1 7.097 0.020 . 3 . . . . 656 Phe HD2 . 19187 1 988 . 1 1 78 78 PHE HE1 H 1 7.218 0.020 . 3 . . . . 656 Phe HE1 . 19187 1 989 . 1 1 78 78 PHE HE2 H 1 7.218 0.020 . 3 . . . . 656 Phe HE2 . 19187 1 990 . 1 1 78 78 PHE C C 13 171.349 0.300 . 1 . . . . 656 Phe C . 19187 1 991 . 1 1 78 78 PHE CA C 13 55.189 0.300 . 1 . . . . 656 Phe CA . 19187 1 992 . 1 1 78 78 PHE CB C 13 41.190 0.300 . 1 . . . . 656 Phe CB . 19187 1 993 . 1 1 78 78 PHE CD1 C 13 132.599 0.300 . 3 . . . . 656 Phe CD1 . 19187 1 994 . 1 1 78 78 PHE CD2 C 13 132.599 0.300 . 3 . . . . 656 Phe CD2 . 19187 1 995 . 1 1 78 78 PHE CE1 C 13 131.198 0.300 . 3 . . . . 656 Phe CE1 . 19187 1 996 . 1 1 78 78 PHE CE2 C 13 131.198 0.300 . 3 . . . . 656 Phe CE2 . 19187 1 997 . 1 1 78 78 PHE N N 15 119.405 0.250 . 1 . . . . 656 Phe N . 19187 1 998 . 1 1 79 79 GLU H H 1 8.741 0.020 . 1 . . . . 657 Glu H . 19187 1 999 . 1 1 79 79 GLU HA H 1 5.510 0.020 . 1 . . . . 657 Glu HA . 19187 1 1000 . 1 1 79 79 GLU HB2 H 1 2.115 0.020 . 2 . . . . 657 Glu HB2 . 19187 1 1001 . 1 1 79 79 GLU HB3 H 1 1.668 0.020 . 2 . . . . 657 Glu HB3 . 19187 1 1002 . 1 1 79 79 GLU HG2 H 1 2.585 0.020 . 2 . . . . 657 Glu HG2 . 19187 1 1003 . 1 1 79 79 GLU HG3 H 1 2.108 0.020 . 2 . . . . 657 Glu HG3 . 19187 1 1004 . 1 1 79 79 GLU C C 13 174.727 0.300 . 1 . . . . 657 Glu C . 19187 1 1005 . 1 1 79 79 GLU CA C 13 51.854 0.300 . 1 . . . . 657 Glu CA . 19187 1 1006 . 1 1 79 79 GLU CB C 13 31.685 0.300 . 1 . . . . 657 Glu CB . 19187 1 1007 . 1 1 79 79 GLU CG C 13 36.471 0.300 . 1 . . . . 657 Glu CG . 19187 1 1008 . 1 1 79 79 GLU N N 15 122.205 0.250 . 1 . . . . 657 Glu N . 19187 1 1009 . 1 1 80 80 PRO HA H 1 4.306 0.020 . 1 . . . . 658 Pro HA . 19187 1 1010 . 1 1 80 80 PRO HB2 H 1 2.045 0.020 . 2 . . . . 658 Pro HB2 . 19187 1 1011 . 1 1 80 80 PRO HB3 H 1 1.874 0.020 . 2 . . . . 658 Pro HB3 . 19187 1 1012 . 1 1 80 80 PRO HG2 H 1 1.466 0.020 . 2 . . . . 658 Pro HG2 . 19187 1 1013 . 1 1 80 80 PRO HG3 H 1 1.468 0.020 . 2 . . . . 658 Pro HG3 . 19187 1 1014 . 1 1 80 80 PRO HD2 H 1 3.855 0.020 . 2 . . . . 658 Pro HD2 . 19187 1 1015 . 1 1 80 80 PRO HD3 H 1 2.664 0.020 . 2 . . . . 658 Pro HD3 . 19187 1 1016 . 1 1 80 80 PRO C C 13 175.562 0.300 . 1 . . . . 658 Pro C . 19187 1 1017 . 1 1 80 80 PRO CA C 13 63.476 0.300 . 1 . . . . 658 Pro CA . 19187 1 1018 . 1 1 80 80 PRO CB C 13 31.574 0.300 . 1 . . . . 658 Pro CB . 19187 1 1019 . 1 1 80 80 PRO CG C 13 26.773 0.300 . 1 . . . . 658 Pro CG . 19187 1 1020 . 1 1 80 80 PRO CD C 13 49.866 0.300 . 1 . . . . 658 Pro CD . 19187 1 1021 . 1 1 81 81 ALA H H 1 7.191 0.020 . 1 . . . . 659 Ala H . 19187 1 1022 . 1 1 81 81 ALA HA H 1 4.361 0.020 . 1 . . . . 659 Ala HA . 19187 1 1023 . 1 1 81 81 ALA HB1 H 1 1.285 0.020 . 1 . . . . 659 Ala HB1 . 19187 1 1024 . 1 1 81 81 ALA HB2 H 1 1.285 0.020 . 1 . . . . 659 Ala HB2 . 19187 1 1025 . 1 1 81 81 ALA HB3 H 1 1.285 0.020 . 1 . . . . 659 Ala HB3 . 19187 1 1026 . 1 1 81 81 ALA C C 13 175.649 0.300 . 1 . . . . 659 Ala C . 19187 1 1027 . 1 1 81 81 ALA CA C 13 50.500 0.300 . 1 . . . . 659 Ala CA . 19187 1 1028 . 1 1 81 81 ALA CB C 13 21.828 0.300 . 1 . . . . 659 Ala CB . 19187 1 1029 . 1 1 81 81 ALA N N 15 118.508 0.250 . 1 . . . . 659 Ala N . 19187 1 1030 . 1 1 82 82 ARG H H 1 8.551 0.020 . 1 . . . . 660 Arg H . 19187 1 1031 . 1 1 82 82 ARG HA H 1 4.116 0.020 . 1 . . . . 660 Arg HA . 19187 1 1032 . 1 1 82 82 ARG HB2 H 1 1.806 0.020 . 2 . . . . 660 Arg HB2 . 19187 1 1033 . 1 1 82 82 ARG HB3 H 1 1.776 0.020 . 2 . . . . 660 Arg HB3 . 19187 1 1034 . 1 1 82 82 ARG HG2 H 1 1.703 0.020 . 2 . . . . 660 Arg HG2 . 19187 1 1035 . 1 1 82 82 ARG HG3 H 1 1.592 0.020 . 2 . . . . 660 Arg HG3 . 19187 1 1036 . 1 1 82 82 ARG HD2 H 1 3.221 0.020 . 1 . . . . 660 Arg HD2 . 19187 1 1037 . 1 1 82 82 ARG HD3 H 1 3.221 0.020 . 1 . . . . 660 Arg HD3 . 19187 1 1038 . 1 1 82 82 ARG C C 13 178.132 0.300 . 1 . . . . 660 Arg C . 19187 1 1039 . 1 1 82 82 ARG CA C 13 58.041 0.300 . 1 . . . . 660 Arg CA . 19187 1 1040 . 1 1 82 82 ARG CB C 13 29.520 0.300 . 1 . . . . 660 Arg CB . 19187 1 1041 . 1 1 82 82 ARG CG C 13 26.749 0.300 . 1 . . . . 660 Arg CG . 19187 1 1042 . 1 1 82 82 ARG CD C 13 43.140 0.300 . 1 . . . . 660 Arg CD . 19187 1 1043 . 1 1 82 82 ARG N N 15 121.005 0.250 . 1 . . . . 660 Arg N . 19187 1 1044 . 1 1 83 83 GLY H H 1 9.130 0.020 . 1 . . . . 661 Gly H . 19187 1 1045 . 1 1 83 83 GLY HA2 H 1 4.014 0.020 . 2 . . . . 661 Gly HA2 . 19187 1 1046 . 1 1 83 83 GLY HA3 H 1 3.527 0.020 . 2 . . . . 661 Gly HA3 . 19187 1 1047 . 1 1 83 83 GLY C C 13 174.084 0.300 . 1 . . . . 661 Gly C . 19187 1 1048 . 1 1 83 83 GLY CA C 13 44.882 0.300 . 1 . . . . 661 Gly CA . 19187 1 1049 . 1 1 83 83 GLY N N 15 113.192 0.250 . 1 . . . . 661 Gly N . 19187 1 1050 . 1 1 84 84 TYR H H 1 8.167 0.020 . 1 . . . . 662 Tyr H . 19187 1 1051 . 1 1 84 84 TYR HA H 1 5.249 0.020 . 1 . . . . 662 Tyr HA . 19187 1 1052 . 1 1 84 84 TYR HB2 H 1 2.548 0.020 . 1 . . . . 662 Tyr HB2 . 19187 1 1053 . 1 1 84 84 TYR HB3 H 1 2.548 0.020 . 1 . . . . 662 Tyr HB3 . 19187 1 1054 . 1 1 84 84 TYR HD1 H 1 6.597 0.020 . 3 . . . . 662 Tyr HD1 . 19187 1 1055 . 1 1 84 84 TYR HD2 H 1 6.597 0.020 . 3 . . . . 662 Tyr HD2 . 19187 1 1056 . 1 1 84 84 TYR HE1 H 1 6.709 0.020 . 3 . . . . 662 Tyr HE1 . 19187 1 1057 . 1 1 84 84 TYR HE2 H 1 6.709 0.020 . 3 . . . . 662 Tyr HE2 . 19187 1 1058 . 1 1 84 84 TYR C C 13 174.276 0.300 . 1 . . . . 662 Tyr C . 19187 1 1059 . 1 1 84 84 TYR CA C 13 57.179 0.300 . 1 . . . . 662 Tyr CA . 19187 1 1060 . 1 1 84 84 TYR CB C 13 43.237 0.300 . 1 . . . . 662 Tyr CB . 19187 1 1061 . 1 1 84 84 TYR CD1 C 13 133.074 0.300 . 3 . . . . 662 Tyr CD1 . 19187 1 1062 . 1 1 84 84 TYR CD2 C 13 133.074 0.300 . 3 . . . . 662 Tyr CD2 . 19187 1 1063 . 1 1 84 84 TYR CE1 C 13 118.035 0.300 . 3 . . . . 662 Tyr CE1 . 19187 1 1064 . 1 1 84 84 TYR CE2 C 13 118.024 0.300 . 3 . . . . 662 Tyr CE2 . 19187 1 1065 . 1 1 84 84 TYR N N 15 118.749 0.250 . 1 . . . . 662 Tyr N . 19187 1 1066 . 1 1 85 85 LEU H H 1 8.994 0.020 . 1 . . . . 663 Leu H . 19187 1 1067 . 1 1 85 85 LEU HA H 1 5.191 0.020 . 1 . . . . 663 Leu HA . 19187 1 1068 . 1 1 85 85 LEU HB2 H 1 1.515 0.020 . 2 . . . . 663 Leu HB2 . 19187 1 1069 . 1 1 85 85 LEU HB3 H 1 1.204 0.020 . 2 . . . . 663 Leu HB3 . 19187 1 1070 . 1 1 85 85 LEU HG H 1 1.772 0.020 . 1 . . . . 663 Leu HG . 19187 1 1071 . 1 1 85 85 LEU HD11 H 1 0.761 0.020 . 2 . . . . 663 Leu HD11 . 19187 1 1072 . 1 1 85 85 LEU HD12 H 1 0.761 0.020 . 2 . . . . 663 Leu HD12 . 19187 1 1073 . 1 1 85 85 LEU HD13 H 1 0.761 0.020 . 2 . . . . 663 Leu HD13 . 19187 1 1074 . 1 1 85 85 LEU HD21 H 1 0.764 0.020 . 2 . . . . 663 Leu HD21 . 19187 1 1075 . 1 1 85 85 LEU HD22 H 1 0.764 0.020 . 2 . . . . 663 Leu HD22 . 19187 1 1076 . 1 1 85 85 LEU HD23 H 1 0.764 0.020 . 2 . . . . 663 Leu HD23 . 19187 1 1077 . 1 1 85 85 LEU C C 13 175.798 0.300 . 1 . . . . 663 Leu C . 19187 1 1078 . 1 1 85 85 LEU CA C 13 52.824 0.300 . 1 . . . . 663 Leu CA . 19187 1 1079 . 1 1 85 85 LEU CB C 13 47.685 0.300 . 1 . . . . 663 Leu CB . 19187 1 1080 . 1 1 85 85 LEU CG C 13 26.260 0.300 . 1 . . . . 663 Leu CG . 19187 1 1081 . 1 1 85 85 LEU CD1 C 13 26.023 0.300 . 2 . . . . 663 Leu CD1 . 19187 1 1082 . 1 1 85 85 LEU CD2 C 13 22.641 0.300 . 2 . . . . 663 Leu CD2 . 19187 1 1083 . 1 1 85 85 LEU N N 15 117.976 0.250 . 1 . . . . 663 Leu N . 19187 1 1084 . 1 1 86 86 LYS H H 1 8.323 0.020 . 1 . . . . 664 Lys H . 19187 1 1085 . 1 1 86 86 LYS HA H 1 4.822 0.020 . 1 . . . . 664 Lys HA . 19187 1 1086 . 1 1 86 86 LYS HB2 H 1 1.183 0.020 . 2 . . . . 664 Lys HB2 . 19187 1 1087 . 1 1 86 86 LYS HB3 H 1 1.077 0.020 . 2 . . . . 664 Lys HB3 . 19187 1 1088 . 1 1 86 86 LYS HG2 H 1 1.687 0.020 . 2 . . . . 664 Lys HG2 . 19187 1 1089 . 1 1 86 86 LYS HG3 H 1 1.486 0.020 . 2 . . . . 664 Lys HG3 . 19187 1 1090 . 1 1 86 86 LYS HD2 H 1 1.716 0.020 . 2 . . . . 664 Lys HD2 . 19187 1 1091 . 1 1 86 86 LYS HD3 H 1 1.564 0.020 . 2 . . . . 664 Lys HD3 . 19187 1 1092 . 1 1 86 86 LYS HE2 H 1 3.224 0.020 . 2 . . . . 664 Lys HE2 . 19187 1 1093 . 1 1 86 86 LYS HE3 H 1 3.222 0.020 . 2 . . . . 664 Lys HE3 . 19187 1 1094 . 1 1 86 86 LYS C C 13 174.987 0.300 . 1 . . . . 664 Lys C . 19187 1 1095 . 1 1 86 86 LYS CA C 13 54.875 0.300 . 1 . . . . 664 Lys CA . 19187 1 1096 . 1 1 86 86 LYS CB C 13 37.562 0.300 . 1 . . . . 664 Lys CB . 19187 1 1097 . 1 1 86 86 LYS CG C 13 24.815 0.300 . 1 . . . . 664 Lys CG . 19187 1 1098 . 1 1 86 86 LYS CD C 13 29.381 0.300 . 1 . . . . 664 Lys CD . 19187 1 1099 . 1 1 86 86 LYS CE C 13 41.790 0.300 . 1 . . . . 664 Lys CE . 19187 1 1100 . 1 1 86 86 LYS N N 15 119.350 0.250 . 1 . . . . 664 Lys N . 19187 1 1101 . 1 1 87 87 ILE H H 1 9.233 0.020 . 1 . . . . 665 Ile H . 19187 1 1102 . 1 1 87 87 ILE HA H 1 4.258 0.020 . 1 . . . . 665 Ile HA . 19187 1 1103 . 1 1 87 87 ILE HB H 1 1.967 0.020 . 1 . . . . 665 Ile HB . 19187 1 1104 . 1 1 87 87 ILE HG12 H 1 1.707 0.020 . 2 . . . . 665 Ile HG12 . 19187 1 1105 . 1 1 87 87 ILE HG13 H 1 1.205 0.020 . 2 . . . . 665 Ile HG13 . 19187 1 1106 . 1 1 87 87 ILE HG21 H 1 1.101 0.020 . 1 . . . . 665 Ile HG21 . 19187 1 1107 . 1 1 87 87 ILE HG22 H 1 1.101 0.020 . 1 . . . . 665 Ile HG22 . 19187 1 1108 . 1 1 87 87 ILE HG23 H 1 1.101 0.020 . 1 . . . . 665 Ile HG23 . 19187 1 1109 . 1 1 87 87 ILE HD11 H 1 0.982 0.020 . 1 . . . . 665 Ile HD11 . 19187 1 1110 . 1 1 87 87 ILE HD12 H 1 0.982 0.020 . 1 . . . . 665 Ile HD12 . 19187 1 1111 . 1 1 87 87 ILE HD13 H 1 0.982 0.020 . 1 . . . . 665 Ile HD13 . 19187 1 1112 . 1 1 87 87 ILE C C 13 176.655 0.300 . 1 . . . . 665 Ile C . 19187 1 1113 . 1 1 87 87 ILE CA C 13 62.394 0.300 . 1 . . . . 665 Ile CA . 19187 1 1114 . 1 1 87 87 ILE CB C 13 38.623 0.300 . 1 . . . . 665 Ile CB . 19187 1 1115 . 1 1 87 87 ILE CG1 C 13 29.267 0.300 . 1 . . . . 665 Ile CG1 . 19187 1 1116 . 1 1 87 87 ILE CG2 C 13 17.777 0.300 . 1 . . . . 665 Ile CG2 . 19187 1 1117 . 1 1 87 87 ILE CD1 C 13 13.455 0.300 . 1 . . . . 665 Ile CD1 . 19187 1 1118 . 1 1 87 87 ILE N N 15 126.308 0.250 . 1 . . . . 665 Ile N . 19187 1 1119 . 1 1 88 88 VAL H H 1 7.616 0.020 . 1 . . . . 666 Val H . 19187 1 1120 . 1 1 88 88 VAL HA H 1 3.699 0.020 . 1 . . . . 666 Val HA . 19187 1 1121 . 1 1 88 88 VAL HB H 1 1.833 0.020 . 1 . . . . 666 Val HB . 19187 1 1122 . 1 1 88 88 VAL HG11 H 1 0.857 0.020 . 2 . . . . 666 Val HG11 . 19187 1 1123 . 1 1 88 88 VAL HG12 H 1 0.857 0.020 . 2 . . . . 666 Val HG12 . 19187 1 1124 . 1 1 88 88 VAL HG13 H 1 0.857 0.020 . 2 . . . . 666 Val HG13 . 19187 1 1125 . 1 1 88 88 VAL HG21 H 1 0.743 0.020 . 2 . . . . 666 Val HG21 . 19187 1 1126 . 1 1 88 88 VAL HG22 H 1 0.743 0.020 . 2 . . . . 666 Val HG22 . 19187 1 1127 . 1 1 88 88 VAL HG23 H 1 0.743 0.020 . 2 . . . . 666 Val HG23 . 19187 1 1128 . 1 1 88 88 VAL C C 13 181.235 0.300 . 1 . . . . 666 Val C . 19187 1 1129 . 1 1 88 88 VAL CA C 13 66.348 0.300 . 1 . . . . 666 Val CA . 19187 1 1130 . 1 1 88 88 VAL CB C 13 32.229 0.300 . 1 . . . . 666 Val CB . 19187 1 1131 . 1 1 88 88 VAL CG1 C 13 21.320 0.300 . 2 . . . . 666 Val CG1 . 19187 1 1132 . 1 1 88 88 VAL CG2 C 13 22.368 0.300 . 2 . . . . 666 Val CG2 . 19187 1 1133 . 1 1 88 88 VAL N N 15 132.603 0.250 . 1 . . . . 666 Val N . 19187 1 stop_ save_