data_19610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19610 _Entry.Title ; Solution NMR structure of the p300 Taz2:ETAD1 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-12 _Entry.Accession_date 2013-11-12 _Entry.Last_release_date 2014-01-09 _Entry.Original_release_date 2014-01-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Langelaan . N. . . 19610 2 Steven Smith . P. . . 19610 3 Seth Chitayat . . . . 19610 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19610 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 19610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 19610 '15N chemical shifts' 134 19610 '1H chemical shifts' 841 19610 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 . . 2022-02-11 2013-11-12 update BMRB 'update entry citation' 19610 1 . . 2014-11-10 2013-11-12 original author 'original release' 19610 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mh0 'BMRB Entry Tracking System' 19610 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19610 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32098872 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural insights into TAZ2 domain-mediated CBP/p300 recruitment by transactivation domain 1 of the lymphopoietic transcription factor E2A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 4303 _Citation.Page_last 4315 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marina Lochhead M. R. . . 19610 1 2 Alexandra Brown A. D. . . 19610 1 3 Alyssa Kirlin A. C. . . 19610 1 4 Seth Chitayat S. . . . 19610 1 5 Kim Munro K. . . . 19610 1 6 Jane Findlay J. E. . . 19610 1 7 George Baillie G. S. . . 19610 1 8 David LeBrun D. P. . . 19610 1 9 David Langelaan D. N. . . 19610 1 10 Steven Smith S. P. . . 19610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19610 _Assembly.ID 1 _Assembly.Name 'p300 Taz2:ETAD1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'E2A ETAD1' 1 $ETAD1 A . yes native no no . . . 19610 1 2 'p300 Taz2' 2 $Taz2 B . yes native no no . . . 19610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ETAD1 _Entity.Sf_category entity _Entity.Sf_framecode ETAD1 _Entity.Entry_ID 19610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ETAD1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMNQPQRMAPVGTDKELSD LLDFSMMFPLPVTNGKGRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first activation domain of the E2A protein. Corresponds to residues 1-37 of E2A. The N terminal GS is an artifact from protease cleavage. ; _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Activation domain 1 (ETAD1), E2A 1-37' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4267.949 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19610 1 2 . SER . 19610 1 3 . MET . 19610 1 4 . ASN . 19610 1 5 . GLN . 19610 1 6 . PRO . 19610 1 7 . GLN . 19610 1 8 . ARG . 19610 1 9 . MET . 19610 1 10 . ALA . 19610 1 11 . PRO . 19610 1 12 . VAL . 19610 1 13 . GLY . 19610 1 14 . THR . 19610 1 15 . ASP . 19610 1 16 . LYS . 19610 1 17 . GLU . 19610 1 18 . LEU . 19610 1 19 . SER . 19610 1 20 . ASP . 19610 1 21 . LEU . 19610 1 22 . LEU . 19610 1 23 . ASP . 19610 1 24 . PHE . 19610 1 25 . SER . 19610 1 26 . MET . 19610 1 27 . MET . 19610 1 28 . PHE . 19610 1 29 . PRO . 19610 1 30 . LEU . 19610 1 31 . PRO . 19610 1 32 . VAL . 19610 1 33 . THR . 19610 1 34 . ASN . 19610 1 35 . GLY . 19610 1 36 . LYS . 19610 1 37 . GLY . 19610 1 38 . ARG . 19610 1 39 . PRO . 19610 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 19610 1 . SER 2 2 19610 1 . MET 3 3 19610 1 . ASN 4 4 19610 1 . GLN 5 5 19610 1 . PRO 6 6 19610 1 . GLN 7 7 19610 1 . ARG 8 8 19610 1 . MET 9 9 19610 1 . ALA 10 10 19610 1 . PRO 11 11 19610 1 . VAL 12 12 19610 1 . GLY 13 13 19610 1 . THR 14 14 19610 1 . ASP 15 15 19610 1 . LYS 16 16 19610 1 . GLU 17 17 19610 1 . LEU 18 18 19610 1 . SER 19 19 19610 1 . ASP 20 20 19610 1 . LEU 21 21 19610 1 . LEU 22 22 19610 1 . ASP 23 23 19610 1 . PHE 24 24 19610 1 . SER 25 25 19610 1 . MET 26 26 19610 1 . MET 27 27 19610 1 . PHE 28 28 19610 1 . PRO 29 29 19610 1 . LEU 30 30 19610 1 . PRO 31 31 19610 1 . VAL 32 32 19610 1 . THR 33 33 19610 1 . ASN 34 34 19610 1 . GLY 35 35 19610 1 . LYS 36 36 19610 1 . GLY 37 37 19610 1 . ARG 38 38 19610 1 . PRO 39 39 19610 1 stop_ save_ save_Taz2 _Entity.Sf_category entity _Entity.Sf_framecode Taz2 _Entity.Entry_ID 19610 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Taz2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSATQSPGDSRRLSIQRAIQ SLVHAAQCRNANCSLPSCQK MKRVVQHTKGCKRKTNGGCP ICKQLIALAAYHAKHCQENK CPVPFCLNIKQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N terminal GS is remnant of thrombin cleavage site.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Taz2 domain of p300' _Entity.Mutation ; C1738A C1746A C1789A C1790A ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10107.968 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1721 GLY . 19610 2 2 1722 SER . 19610 2 3 1723 ALA . 19610 2 4 1724 THR . 19610 2 5 1725 GLN . 19610 2 6 1726 SER . 19610 2 7 1727 PRO . 19610 2 8 1728 GLY . 19610 2 9 1729 ASP . 19610 2 10 1730 SER . 19610 2 11 1731 ARG . 19610 2 12 1732 ARG . 19610 2 13 1733 LEU . 19610 2 14 1734 SER . 19610 2 15 1735 ILE . 19610 2 16 1736 GLN . 19610 2 17 1737 ARG . 19610 2 18 1738 ALA . 19610 2 19 1739 ILE . 19610 2 20 1740 GLN . 19610 2 21 1741 SER . 19610 2 22 1742 LEU . 19610 2 23 1743 VAL . 19610 2 24 1744 HIS . 19610 2 25 1745 ALA . 19610 2 26 1746 ALA . 19610 2 27 1747 GLN . 19610 2 28 1748 CYS . 19610 2 29 1749 ARG . 19610 2 30 1750 ASN . 19610 2 31 1751 ALA . 19610 2 32 1752 ASN . 19610 2 33 1753 CYS . 19610 2 34 1754 SER . 19610 2 35 1755 LEU . 19610 2 36 1756 PRO . 19610 2 37 1757 SER . 19610 2 38 1758 CYS . 19610 2 39 1759 GLN . 19610 2 40 1760 LYS . 19610 2 41 1761 MET . 19610 2 42 1762 LYS . 19610 2 43 1763 ARG . 19610 2 44 1764 VAL . 19610 2 45 1765 VAL . 19610 2 46 1766 GLN . 19610 2 47 1767 HIS . 19610 2 48 1768 THR . 19610 2 49 1769 LYS . 19610 2 50 1770 GLY . 19610 2 51 1771 CYS . 19610 2 52 1772 LYS . 19610 2 53 1773 ARG . 19610 2 54 1774 LYS . 19610 2 55 1775 THR . 19610 2 56 1776 ASN . 19610 2 57 1777 GLY . 19610 2 58 1778 GLY . 19610 2 59 1779 CYS . 19610 2 60 1780 PRO . 19610 2 61 1781 ILE . 19610 2 62 1782 CYS . 19610 2 63 1783 LYS . 19610 2 64 1784 GLN . 19610 2 65 1785 LEU . 19610 2 66 1786 ILE . 19610 2 67 1787 ALA . 19610 2 68 1788 LEU . 19610 2 69 1789 ALA . 19610 2 70 1790 ALA . 19610 2 71 1791 TYR . 19610 2 72 1792 HIS . 19610 2 73 1793 ALA . 19610 2 74 1794 LYS . 19610 2 75 1795 HIS . 19610 2 76 1796 CYS . 19610 2 77 1797 GLN . 19610 2 78 1798 GLU . 19610 2 79 1799 ASN . 19610 2 80 1800 LYS . 19610 2 81 1801 CYS . 19610 2 82 1802 PRO . 19610 2 83 1803 VAL . 19610 2 84 1804 PRO . 19610 2 85 1805 PHE . 19610 2 86 1806 CYS . 19610 2 87 1807 LEU . 19610 2 88 1808 ASN . 19610 2 89 1809 ILE . 19610 2 90 1810 LYS . 19610 2 91 1811 GLN . 19610 2 92 1812 LYS . 19610 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19610 2 . SER 2 2 19610 2 . ALA 3 3 19610 2 . THR 4 4 19610 2 . GLN 5 5 19610 2 . SER 6 6 19610 2 . PRO 7 7 19610 2 . GLY 8 8 19610 2 . ASP 9 9 19610 2 . SER 10 10 19610 2 . ARG 11 11 19610 2 . ARG 12 12 19610 2 . LEU 13 13 19610 2 . SER 14 14 19610 2 . ILE 15 15 19610 2 . GLN 16 16 19610 2 . ARG 17 17 19610 2 . ALA 18 18 19610 2 . ILE 19 19 19610 2 . GLN 20 20 19610 2 . SER 21 21 19610 2 . LEU 22 22 19610 2 . VAL 23 23 19610 2 . HIS 24 24 19610 2 . ALA 25 25 19610 2 . ALA 26 26 19610 2 . GLN 27 27 19610 2 . CYS 28 28 19610 2 . ARG 29 29 19610 2 . ASN 30 30 19610 2 . ALA 31 31 19610 2 . ASN 32 32 19610 2 . CYS 33 33 19610 2 . SER 34 34 19610 2 . LEU 35 35 19610 2 . PRO 36 36 19610 2 . SER 37 37 19610 2 . CYS 38 38 19610 2 . GLN 39 39 19610 2 . LYS 40 40 19610 2 . MET 41 41 19610 2 . LYS 42 42 19610 2 . ARG 43 43 19610 2 . VAL 44 44 19610 2 . VAL 45 45 19610 2 . GLN 46 46 19610 2 . HIS 47 47 19610 2 . THR 48 48 19610 2 . LYS 49 49 19610 2 . GLY 50 50 19610 2 . CYS 51 51 19610 2 . LYS 52 52 19610 2 . ARG 53 53 19610 2 . LYS 54 54 19610 2 . THR 55 55 19610 2 . ASN 56 56 19610 2 . GLY 57 57 19610 2 . GLY 58 58 19610 2 . CYS 59 59 19610 2 . PRO 60 60 19610 2 . ILE 61 61 19610 2 . CYS 62 62 19610 2 . LYS 63 63 19610 2 . GLN 64 64 19610 2 . LEU 65 65 19610 2 . ILE 66 66 19610 2 . ALA 67 67 19610 2 . LEU 68 68 19610 2 . ALA 69 69 19610 2 . ALA 70 70 19610 2 . TYR 71 71 19610 2 . HIS 72 72 19610 2 . ALA 73 73 19610 2 . LYS 74 74 19610 2 . HIS 75 75 19610 2 . CYS 76 76 19610 2 . GLN 77 77 19610 2 . GLU 78 78 19610 2 . ASN 79 79 19610 2 . LYS 80 80 19610 2 . CYS 81 81 19610 2 . PRO 82 82 19610 2 . VAL 83 83 19610 2 . PRO 84 84 19610 2 . PHE 85 85 19610 2 . CYS 86 86 19610 2 . LEU 87 87 19610 2 . ASN 88 88 19610 2 . ILE 89 89 19610 2 . LYS 90 90 19610 2 . GLN 91 91 19610 2 . LYS 92 92 19610 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19610 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ETAD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19610 1 2 2 $Taz2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19610 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 19610 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ETAD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet21 . . . 19610 1 2 2 $Taz2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet21 . . . 19610 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1_ETAD _Sample.Sf_category sample _Sample.Sf_framecode Sample1_ETAD _Sample.Entry_ID 19610 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labeled ETAD1, unlabeled Taz2 pH 6.5' _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 ETAD1 '[U-99% 13C; U-99% 15N]' . . 1 $ETAD1 . . 1.4 . . mM . . . . 19610 1 2 Taz2 'natural abundance' . . 2 $Taz2 . . 2 . . mM . . . . 19610 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19610 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19610 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 19610 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19610 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19610 1 stop_ save_ save_sample_2_Taz2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2_Taz2 _Sample.Entry_ID 19610 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labeled Taz2 Unlabeled ETAD1 pH 6.5' _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 ETAD1 'natural abundance' . . 1 $ETAD1 . . 3078 . . uM . . . . 19610 2 2 Taz2 '[U-99% 13C; U-99% 15N]' . . 2 $Taz2 . . 1038 . . uM . . . . 19610 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19610 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19610 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 19610 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19610 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19610 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 19610 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0 . M 19610 1 pH 6.5 . pH 19610 1 pressure 1 . atm 19610 1 temperature 273 . K 19610 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19610 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19610 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 19610 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19610 _Software.ID 2 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19610 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 19610 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19610 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19610 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 19610 3 'peak picking' . 19610 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19610 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19610 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 19610 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19610 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19610 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 19610 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19610 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details QANUC _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19610 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details QANUC _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19610 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 600 . . . 19610 1 2 spectrometer_2 Varian INOVA . 500 QANUC . . 19610 1 3 spectrometer_3 Varian INOVA . 800 QANUC . . 19610 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 19610 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 19610 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 19610 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $Sample1_ETAD isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 19610 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 11 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 12 '3D HCACO' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 13 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 14 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19610 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 19610 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 19610 1 18 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2_Taz2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . . 19610 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19610 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.85 internal indirect 0.251449530 . . . . . 19610 1 H 1 water protons . . . . ppm 4.85 internal direct 1 . . . . . 19610 1 N 15 water protons . . . . ppm 4.85 internal indirect 0.101329118 . . . . . 19610 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 19610 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' 1 $Sample1_ETAD . 19610 1 2 '3D CBCA(CO)NH' 1 $Sample1_ETAD . 19610 1 3 '3D HNCACB' 1 $Sample1_ETAD . 19610 1 4 '3D HNCO' 1 $Sample1_ETAD . 19610 1 5 '3D HCACO' 1 $Sample1_ETAD . 19610 1 6 '3D 1H-15N NOESY' 1 $Sample1_ETAD . 19610 1 7 '3D HCCH-TOCSY' 1 $Sample1_ETAD . 19610 1 8 '3D 1H-13C NOESY aliphatic' 1 $Sample1_ETAD . 19610 1 9 '3D 1H-13C NOESY aromatic' 1 $Sample1_ETAD . 19610 1 10 '2D 1H-15N HSQC' 2 $sample_2_Taz2 . 19610 1 11 '3D HNCO' 2 $sample_2_Taz2 . 19610 1 12 '3D HCACO' 2 $sample_2_Taz2 . 19610 1 13 '3D HNCACB' 2 $sample_2_Taz2 . 19610 1 14 '3D CBCA(CO)NH' 2 $sample_2_Taz2 . 19610 1 15 '3D 1H-15N NOESY' 2 $sample_2_Taz2 . 19610 1 16 '3D HCCH-TOCSY' 2 $sample_2_Taz2 . 19610 1 17 '3D 1H-13C NOESY aliphatic' 2 $sample_2_Taz2 . 19610 1 18 '3D 1H-13C NOESY aromatic' 2 $sample_2_Taz2 . 19610 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA3 H 1 3.860 0.050 . . . . . . . 1 GLY HA3 . 19610 1 2 . 1 . 1 1 1 GLY CA C 13 43.379 0.500 . . . . . . . 1 GLY CA . 19610 1 3 . 1 . 1 2 2 SER HA H 1 4.472 0.050 . . . . . . . 2 SER HA . 19610 1 4 . 1 . 1 2 2 SER HB2 H 1 3.843 0.050 . . . . . . . 2 SER HB2 . 19610 1 5 . 1 . 1 2 2 SER HB3 H 1 3.831 0.050 . . . . . . . 2 SER HB3 . 19610 1 6 . 1 . 1 2 2 SER C C 13 174.628 0.500 . . . . . . . 2 SER C . 19610 1 7 . 1 . 1 2 2 SER CA C 13 58.397 0.500 . . . . . . . 2 SER CA . 19610 1 8 . 1 . 1 2 2 SER CB C 13 63.896 0.500 . . . . . . . 2 SER CB . 19610 1 9 . 1 . 1 3 3 MET H H 1 8.627 0.050 . . . . . . . 3 MET H . 19610 1 10 . 1 . 1 3 3 MET HA H 1 4.490 0.050 . . . . . . . 3 MET HA . 19610 1 11 . 1 . 1 3 3 MET HB2 H 1 1.986 0.050 . . . . . . . 3 MET HB2 . 19610 1 12 . 1 . 1 3 3 MET HB3 H 1 2.071 0.050 . . . . . . . 3 MET HB3 . 19610 1 13 . 1 . 1 3 3 MET HG2 H 1 2.579 0.050 . . . . . . . 3 MET HG2 . 19610 1 14 . 1 . 1 3 3 MET HG3 H 1 2.514 0.050 . . . . . . . 3 MET HG3 . 19610 1 15 . 1 . 1 3 3 MET C C 13 175.934 0.500 . . . . . . . 3 MET C . 19610 1 16 . 1 . 1 3 3 MET CA C 13 55.552 0.500 . . . . . . . 3 MET CA . 19610 1 17 . 1 . 1 3 3 MET CB C 13 32.645 0.500 . . . . . . . 3 MET CB . 19610 1 18 . 1 . 1 3 3 MET CG C 13 31.933 0.500 . . . . . . . 3 MET CG . 19610 1 19 . 1 . 1 3 3 MET N N 15 122.147 0.500 . . . . . . . 3 MET N . 19610 1 20 . 1 . 1 4 4 ASN H H 1 8.497 0.050 . . . . . . . 4 ASN H . 19610 1 21 . 1 . 1 4 4 ASN HA H 1 4.654 0.050 . . . . . . . 4 ASN HA . 19610 1 22 . 1 . 1 4 4 ASN HB2 H 1 2.695 0.050 . . . . . . . 4 ASN HB2 . 19610 1 23 . 1 . 1 4 4 ASN HB3 H 1 2.770 0.050 . . . . . . . 4 ASN HB3 . 19610 1 24 . 1 . 1 4 4 ASN HD21 H 1 6.943 0.050 . . . . . . . 4 ASN HD21 . 19610 1 25 . 1 . 1 4 4 ASN HD22 H 1 7.623 0.050 . . . . . . . 4 ASN HD22 . 19610 1 26 . 1 . 1 4 4 ASN C C 13 174.695 0.500 . . . . . . . 4 ASN C . 19610 1 27 . 1 . 1 4 4 ASN CA C 13 53.237 0.500 . . . . . . . 4 ASN CA . 19610 1 28 . 1 . 1 4 4 ASN CB C 13 38.768 0.500 . . . . . . . 4 ASN CB . 19610 1 29 . 1 . 1 4 4 ASN CG C 13 176.993 0.500 . . . . . . . 4 ASN CG . 19610 1 30 . 1 . 1 4 4 ASN N N 15 119.930 0.500 . . . . . . . 4 ASN N . 19610 1 31 . 1 . 1 4 4 ASN ND2 N 15 112.912 0.500 . . . . . . . 4 ASN ND2 . 19610 1 32 . 1 . 1 5 5 GLN H H 1 8.322 0.050 . . . . . . . 5 GLN H . 19610 1 33 . 1 . 1 5 5 GLN HA H 1 4.593 0.050 . . . . . . . 5 GLN HA . 19610 1 34 . 1 . 1 5 5 GLN HB2 H 1 2.059 0.050 . . . . . . . 5 GLN HB2 . 19610 1 35 . 1 . 1 5 5 GLN HB3 H 1 1.891 0.050 . . . . . . . 5 GLN HB3 . 19610 1 36 . 1 . 1 5 5 GLN HG3 H 1 2.345 0.050 . . . . . . . 5 GLN HG3 . 19610 1 37 . 1 . 1 5 5 GLN HE21 H 1 6.903 0.050 . . . . . . . 5 GLN HE21 . 19610 1 38 . 1 . 1 5 5 GLN HE22 H 1 7.546 0.050 . . . . . . . 5 GLN HE22 . 19610 1 39 . 1 . 1 5 5 GLN C C 13 173.849 0.500 . . . . . . . 5 GLN C . 19610 1 40 . 1 . 1 5 5 GLN CA C 13 53.724 0.500 . . . . . . . 5 GLN CA . 19610 1 41 . 1 . 1 5 5 GLN CB C 13 28.914 0.500 . . . . . . . 5 GLN CB . 19610 1 42 . 1 . 1 5 5 GLN CG C 13 33.475 0.500 . . . . . . . 5 GLN CG . 19610 1 43 . 1 . 1 5 5 GLN CD C 13 180.485 0.500 . . . . . . . 5 GLN CD . 19610 1 44 . 1 . 1 5 5 GLN N N 15 121.523 0.500 . . . . . . . 5 GLN N . 19610 1 45 . 1 . 1 5 5 GLN NE2 N 15 112.656 0.500 . . . . . . . 5 GLN NE2 . 19610 1 46 . 1 . 1 6 6 PRO HA H 1 4.378 0.050 . . . . . . . 6 PRO HA . 19610 1 47 . 1 . 1 6 6 PRO HB2 H 1 2.265 0.050 . . . . . . . 6 PRO HB2 . 19610 1 48 . 1 . 1 6 6 PRO HB3 H 1 1.848 0.050 . . . . . . . 6 PRO HB3 . 19610 1 49 . 1 . 1 6 6 PRO HG2 H 1 1.982 0.050 . . . . . . . 6 PRO HG2 . 19610 1 50 . 1 . 1 6 6 PRO HD2 H 1 3.629 0.050 . . . . . . . 6 PRO HD2 . 19610 1 51 . 1 . 1 6 6 PRO HD3 H 1 3.744 0.050 . . . . . . . 6 PRO HD3 . 19610 1 52 . 1 . 1 6 6 PRO C C 13 176.816 0.500 . . . . . . . 6 PRO C . 19610 1 53 . 1 . 1 6 6 PRO CA C 13 63.157 0.500 . . . . . . . 6 PRO CA . 19610 1 54 . 1 . 1 6 6 PRO CB C 13 32.086 0.500 . . . . . . . 6 PRO CB . 19610 1 55 . 1 . 1 6 6 PRO CG C 13 27.392 0.500 . . . . . . . 6 PRO CG . 19610 1 56 . 1 . 1 6 6 PRO CD C 13 50.575 0.500 . . . . . . . 6 PRO CD . 19610 1 57 . 1 . 1 7 7 GLN H H 1 8.576 0.050 . . . . . . . 7 GLN H . 19610 1 58 . 1 . 1 7 7 GLN HA H 1 4.245 0.050 . . . . . . . 7 GLN HA . 19610 1 59 . 1 . 1 7 7 GLN HB2 H 1 2.039 0.050 . . . . . . . 7 GLN HB2 . 19610 1 60 . 1 . 1 7 7 GLN HB3 H 1 1.949 0.050 . . . . . . . 7 GLN HB3 . 19610 1 61 . 1 . 1 7 7 GLN HG3 H 1 2.360 0.050 . . . . . . . 7 GLN HG3 . 19610 1 62 . 1 . 1 7 7 GLN HE21 H 1 6.917 0.050 . . . . . . . 7 GLN HE21 . 19610 1 63 . 1 . 1 7 7 GLN HE22 H 1 7.578 0.050 . . . . . . . 7 GLN HE22 . 19610 1 64 . 1 . 1 7 7 GLN C C 13 175.941 0.500 . . . . . . . 7 GLN C . 19610 1 65 . 1 . 1 7 7 GLN CA C 13 55.785 0.500 . . . . . . . 7 GLN CA . 19610 1 66 . 1 . 1 7 7 GLN CB C 13 29.495 0.500 . . . . . . . 7 GLN CB . 19610 1 67 . 1 . 1 7 7 GLN CG C 13 33.787 0.500 . . . . . . . 7 GLN CG . 19610 1 68 . 1 . 1 7 7 GLN CD C 13 180.450 0.500 . . . . . . . 7 GLN CD . 19610 1 69 . 1 . 1 7 7 GLN N N 15 121.005 0.500 . . . . . . . 7 GLN N . 19610 1 70 . 1 . 1 7 7 GLN NE2 N 15 112.816 0.500 . . . . . . . 7 GLN NE2 . 19610 1 71 . 1 . 1 8 8 ARG H H 1 8.449 0.050 . . . . . . . 8 ARG H . 19610 1 72 . 1 . 1 8 8 ARG HA H 1 4.287 0.050 . . . . . . . 8 ARG HA . 19610 1 73 . 1 . 1 8 8 ARG HB2 H 1 1.725 0.050 . . . . . . . 8 ARG HB2 . 19610 1 74 . 1 . 1 8 8 ARG HB3 H 1 1.797 0.050 . . . . . . . 8 ARG HB3 . 19610 1 75 . 1 . 1 8 8 ARG HG2 H 1 1.570 0.050 . . . . . . . 8 ARG HG2 . 19610 1 76 . 1 . 1 8 8 ARG HG3 H 1 1.599 0.050 . . . . . . . 8 ARG HG3 . 19610 1 77 . 1 . 1 8 8 ARG HD2 H 1 3.164 0.050 . . . . . . . 8 ARG HD2 . 19610 1 78 . 1 . 1 8 8 ARG C C 13 176.061 0.500 . . . . . . . 8 ARG C . 19610 1 79 . 1 . 1 8 8 ARG CA C 13 55.996 0.500 . . . . . . . 8 ARG CA . 19610 1 80 . 1 . 1 8 8 ARG CB C 13 30.816 0.500 . . . . . . . 8 ARG CB . 19610 1 81 . 1 . 1 8 8 ARG CG C 13 27.093 0.500 . . . . . . . 8 ARG CG . 19610 1 82 . 1 . 1 8 8 ARG CD C 13 43.309 0.500 . . . . . . . 8 ARG CD . 19610 1 83 . 1 . 1 8 8 ARG N N 15 122.928 0.500 . . . . . . . 8 ARG N . 19610 1 84 . 1 . 1 9 9 MET H H 1 8.471 0.050 . . . . . . . 9 MET H . 19610 1 85 . 1 . 1 9 9 MET HA H 1 4.450 0.050 . . . . . . . 9 MET HA . 19610 1 86 . 1 . 1 9 9 MET HB2 H 1 1.943 0.050 . . . . . . . 9 MET HB2 . 19610 1 87 . 1 . 1 9 9 MET HB3 H 1 2.024 0.050 . . . . . . . 9 MET HB3 . 19610 1 88 . 1 . 1 9 9 MET HG2 H 1 2.570 0.050 . . . . . . . 9 MET HG2 . 19610 1 89 . 1 . 1 9 9 MET HG3 H 1 2.504 0.050 . . . . . . . 9 MET HG3 . 19610 1 90 . 1 . 1 9 9 MET C C 13 175.469 0.500 . . . . . . . 9 MET C . 19610 1 91 . 1 . 1 9 9 MET CA C 13 54.941 0.500 . . . . . . . 9 MET CA . 19610 1 92 . 1 . 1 9 9 MET CB C 13 33.058 0.500 . . . . . . . 9 MET CB . 19610 1 93 . 1 . 1 9 9 MET CG C 13 31.905 0.500 . . . . . . . 9 MET CG . 19610 1 94 . 1 . 1 9 9 MET N N 15 122.430 0.500 . . . . . . . 9 MET N . 19610 1 95 . 1 . 1 10 10 ALA H H 1 8.398 0.050 . . . . . . . 10 ALA H . 19610 1 96 . 1 . 1 10 10 ALA HA H 1 4.541 0.050 . . . . . . . 10 ALA HA . 19610 1 97 . 1 . 1 10 10 ALA HB1 H 1 1.326 0.050 . . . . . . . 10 ALA HB . 19610 1 98 . 1 . 1 10 10 ALA HB2 H 1 1.326 0.050 . . . . . . . 10 ALA HB . 19610 1 99 . 1 . 1 10 10 ALA HB3 H 1 1.326 0.050 . . . . . . . 10 ALA HB . 19610 1 100 . 1 . 1 10 10 ALA C C 13 175.353 0.500 . . . . . . . 10 ALA C . 19610 1 101 . 1 . 1 10 10 ALA CA C 13 50.487 0.500 . . . . . . . 10 ALA CA . 19610 1 102 . 1 . 1 10 10 ALA CB C 13 18.031 0.500 . . . . . . . 10 ALA CB . 19610 1 103 . 1 . 1 10 10 ALA N N 15 127.153 0.500 . . . . . . . 10 ALA N . 19610 1 104 . 1 . 1 11 11 PRO HA H 1 4.438 0.050 . . . . . . . 11 PRO HA . 19610 1 105 . 1 . 1 11 11 PRO HB2 H 1 2.247 0.050 . . . . . . . 11 PRO HB2 . 19610 1 106 . 1 . 1 11 11 PRO HB3 H 1 1.847 0.050 . . . . . . . 11 PRO HB3 . 19610 1 107 . 1 . 1 11 11 PRO HG2 H 1 1.988 0.050 . . . . . . . 11 PRO HG2 . 19610 1 108 . 1 . 1 11 11 PRO HD2 H 1 3.607 0.050 . . . . . . . 11 PRO HD2 . 19610 1 109 . 1 . 1 11 11 PRO HD3 H 1 3.783 0.050 . . . . . . . 11 PRO HD3 . 19610 1 110 . 1 . 1 11 11 PRO C C 13 176.896 0.500 . . . . . . . 11 PRO C . 19610 1 111 . 1 . 1 11 11 PRO CA C 13 62.855 0.500 . . . . . . . 11 PRO CA . 19610 1 112 . 1 . 1 11 11 PRO CB C 13 32.021 0.500 . . . . . . . 11 PRO CB . 19610 1 113 . 1 . 1 11 11 PRO CG C 13 27.478 0.500 . . . . . . . 11 PRO CG . 19610 1 114 . 1 . 1 11 11 PRO CD C 13 50.462 0.500 . . . . . . . 11 PRO CD . 19610 1 115 . 1 . 1 12 12 VAL H H 1 8.373 0.050 . . . . . . . 12 VAL H . 19610 1 116 . 1 . 1 12 12 VAL HA H 1 4.090 0.050 . . . . . . . 12 VAL HA . 19610 1 117 . 1 . 1 12 12 VAL HB H 1 2.053 0.050 . . . . . . . 12 VAL HB . 19610 1 118 . 1 . 1 12 12 VAL HG11 H 1 0.948 0.050 . . . . . . . 12 VAL HG1 . 19610 1 119 . 1 . 1 12 12 VAL HG12 H 1 0.948 0.050 . . . . . . . 12 VAL HG1 . 19610 1 120 . 1 . 1 12 12 VAL HG13 H 1 0.948 0.050 . . . . . . . 12 VAL HG1 . 19610 1 121 . 1 . 1 12 12 VAL HG21 H 1 0.956 0.050 . . . . . . . 12 VAL HG2 . 19610 1 122 . 1 . 1 12 12 VAL HG22 H 1 0.956 0.050 . . . . . . . 12 VAL HG2 . 19610 1 123 . 1 . 1 12 12 VAL HG23 H 1 0.956 0.050 . . . . . . . 12 VAL HG2 . 19610 1 124 . 1 . 1 12 12 VAL C C 13 176.825 0.500 . . . . . . . 12 VAL C . 19610 1 125 . 1 . 1 12 12 VAL CA C 13 62.403 0.500 . . . . . . . 12 VAL CA . 19610 1 126 . 1 . 1 12 12 VAL CB C 13 32.901 0.500 . . . . . . . 12 VAL CB . 19610 1 127 . 1 . 1 12 12 VAL CG1 C 13 21.213 0.500 . . . . . . . 12 VAL CG1 . 19610 1 128 . 1 . 1 12 12 VAL CG2 C 13 20.556 0.500 . . . . . . . 12 VAL CG2 . 19610 1 129 . 1 . 1 12 12 VAL N N 15 120.652 0.500 . . . . . . . 12 VAL N . 19610 1 130 . 1 . 1 13 13 GLY H H 1 8.605 0.050 . . . . . . . 13 GLY H . 19610 1 131 . 1 . 1 13 13 GLY HA3 H 1 4.000 0.050 . . . . . . . 13 GLY HA3 . 19610 1 132 . 1 . 1 13 13 GLY C C 13 174.515 0.500 . . . . . . . 13 GLY C . 19610 1 133 . 1 . 1 13 13 GLY CA C 13 45.328 0.500 . . . . . . . 13 GLY CA . 19610 1 134 . 1 . 1 13 13 GLY N N 15 112.483 0.500 . . . . . . . 13 GLY N . 19610 1 135 . 1 . 1 14 14 THR H H 1 8.164 0.050 . . . . . . . 14 THR H . 19610 1 136 . 1 . 1 14 14 THR HA H 1 4.309 0.050 . . . . . . . 14 THR HA . 19610 1 137 . 1 . 1 14 14 THR HB H 1 4.276 0.050 . . . . . . . 14 THR HB . 19610 1 138 . 1 . 1 14 14 THR HG21 H 1 1.190 0.050 . . . . . . . 14 THR HG2 . 19610 1 139 . 1 . 1 14 14 THR HG22 H 1 1.190 0.050 . . . . . . . 14 THR HG2 . 19610 1 140 . 1 . 1 14 14 THR HG23 H 1 1.190 0.050 . . . . . . . 14 THR HG2 . 19610 1 141 . 1 . 1 14 14 THR C C 13 174.742 0.500 . . . . . . . 14 THR C . 19610 1 142 . 1 . 1 14 14 THR CA C 13 62.130 0.500 . . . . . . . 14 THR CA . 19610 1 143 . 1 . 1 14 14 THR CB C 13 69.981 0.500 . . . . . . . 14 THR CB . 19610 1 144 . 1 . 1 14 14 THR CG2 C 13 21.669 0.500 . . . . . . . 14 THR CG2 . 19610 1 145 . 1 . 1 14 14 THR N N 15 113.531 0.500 . . . . . . . 14 THR N . 19610 1 146 . 1 . 1 15 15 ASP H H 1 8.537 0.050 . . . . . . . 15 ASP H . 19610 1 147 . 1 . 1 15 15 ASP HA H 1 4.510 0.050 . . . . . . . 15 ASP HA . 19610 1 148 . 1 . 1 15 15 ASP HB2 H 1 2.710 0.050 . . . . . . . 15 ASP HB2 . 19610 1 149 . 1 . 1 15 15 ASP HB3 H 1 2.636 0.050 . . . . . . . 15 ASP HB3 . 19610 1 150 . 1 . 1 15 15 ASP C C 13 177.216 0.500 . . . . . . . 15 ASP C . 19610 1 151 . 1 . 1 15 15 ASP CA C 13 55.262 0.500 . . . . . . . 15 ASP CA . 19610 1 152 . 1 . 1 15 15 ASP CB C 13 40.693 0.500 . . . . . . . 15 ASP CB . 19610 1 153 . 1 . 1 15 15 ASP N N 15 122.439 0.500 . . . . . . . 15 ASP N . 19610 1 154 . 1 . 1 16 16 LYS H H 1 8.288 0.050 . . . . . . . 16 LYS H . 19610 1 155 . 1 . 1 16 16 LYS HA H 1 4.118 0.050 . . . . . . . 16 LYS HA . 19610 1 156 . 1 . 1 16 16 LYS HB2 H 1 1.803 0.050 . . . . . . . 16 LYS HB2 . 19610 1 157 . 1 . 1 16 16 LYS HB3 H 1 1.791 0.050 . . . . . . . 16 LYS HB3 . 19610 1 158 . 1 . 1 16 16 LYS HG3 H 1 1.410 0.050 . . . . . . . 16 LYS HG3 . 19610 1 159 . 1 . 1 16 16 LYS HD2 H 1 1.621 0.050 . . . . . . . 16 LYS HD2 . 19610 1 160 . 1 . 1 16 16 LYS HD3 H 1 1.670 0.050 . . . . . . . 16 LYS HD3 . 19610 1 161 . 1 . 1 16 16 LYS HE3 H 1 2.975 0.050 . . . . . . . 16 LYS HE3 . 19610 1 162 . 1 . 1 16 16 LYS C C 13 177.430 0.500 . . . . . . . 16 LYS C . 19610 1 163 . 1 . 1 16 16 LYS CA C 13 57.893 0.500 . . . . . . . 16 LYS CA . 19610 1 164 . 1 . 1 16 16 LYS CB C 13 32.539 0.500 . . . . . . . 16 LYS CB . 19610 1 165 . 1 . 1 16 16 LYS CG C 13 24.780 0.500 . . . . . . . 16 LYS CG . 19610 1 166 . 1 . 1 16 16 LYS CD C 13 28.822 0.500 . . . . . . . 16 LYS CD . 19610 1 167 . 1 . 1 16 16 LYS CE C 13 42.187 0.500 . . . . . . . 16 LYS CE . 19610 1 168 . 1 . 1 16 16 LYS N N 15 122.807 0.500 . . . . . . . 16 LYS N . 19610 1 169 . 1 . 1 17 17 GLU H H 1 8.221 0.050 . . . . . . . 17 GLU H . 19610 1 170 . 1 . 1 17 17 GLU HA H 1 4.112 0.050 . . . . . . . 17 GLU HA . 19610 1 171 . 1 . 1 17 17 GLU HB2 H 1 2.035 0.050 . . . . . . . 17 GLU HB2 . 19610 1 172 . 1 . 1 17 17 GLU HG3 H 1 2.269 0.050 . . . . . . . 17 GLU HG3 . 19610 1 173 . 1 . 1 17 17 GLU C C 13 178.007 0.500 . . . . . . . 17 GLU C . 19610 1 174 . 1 . 1 17 17 GLU CA C 13 58.252 0.500 . . . . . . . 17 GLU CA . 19610 1 175 . 1 . 1 17 17 GLU CB C 13 29.647 0.500 . . . . . . . 17 GLU CB . 19610 1 176 . 1 . 1 17 17 GLU CG C 13 36.483 0.500 . . . . . . . 17 GLU CG . 19610 1 177 . 1 . 1 17 17 GLU N N 15 119.492 0.500 . . . . . . . 17 GLU N . 19610 1 178 . 1 . 1 18 18 LEU H H 1 7.998 0.050 . . . . . . . 18 LEU H . 19610 1 179 . 1 . 1 18 18 LEU HA H 1 4.147 0.050 . . . . . . . 18 LEU HA . 19610 1 180 . 1 . 1 18 18 LEU HB2 H 1 1.530 0.050 . . . . . . . 18 LEU HB2 . 19610 1 181 . 1 . 1 18 18 LEU HB3 H 1 1.701 0.050 . . . . . . . 18 LEU HB3 . 19610 1 182 . 1 . 1 18 18 LEU HG H 1 1.647 0.050 . . . . . . . 18 LEU HG . 19610 1 183 . 1 . 1 18 18 LEU HD11 H 1 0.859 0.050 . . . . . . . 18 LEU HD1 . 19610 1 184 . 1 . 1 18 18 LEU HD12 H 1 0.859 0.050 . . . . . . . 18 LEU HD1 . 19610 1 185 . 1 . 1 18 18 LEU HD13 H 1 0.859 0.050 . . . . . . . 18 LEU HD1 . 19610 1 186 . 1 . 1 18 18 LEU HD21 H 1 0.813 0.050 . . . . . . . 18 LEU HD2 . 19610 1 187 . 1 . 1 18 18 LEU HD22 H 1 0.813 0.050 . . . . . . . 18 LEU HD2 . 19610 1 188 . 1 . 1 18 18 LEU HD23 H 1 0.813 0.050 . . . . . . . 18 LEU HD2 . 19610 1 189 . 1 . 1 18 18 LEU C C 13 178.359 0.500 . . . . . . . 18 LEU C . 19610 1 190 . 1 . 1 18 18 LEU CA C 13 56.422 0.500 . . . . . . . 18 LEU CA . 19610 1 191 . 1 . 1 18 18 LEU CB C 13 41.760 0.500 . . . . . . . 18 LEU CB . 19610 1 192 . 1 . 1 18 18 LEU CG C 13 26.985 0.500 . . . . . . . 18 LEU CG . 19610 1 193 . 1 . 1 18 18 LEU CD1 C 13 25.166 0.500 . . . . . . . 18 LEU CD1 . 19610 1 194 . 1 . 1 18 18 LEU CD2 C 13 23.771 0.500 . . . . . . . 18 LEU CD2 . 19610 1 195 . 1 . 1 18 18 LEU N N 15 119.493 0.500 . . . . . . . 18 LEU N . 19610 1 196 . 1 . 1 19 19 SER H H 1 8.068 0.050 . . . . . . . 19 SER H . 19610 1 197 . 1 . 1 19 19 SER HA H 1 4.113 0.050 . . . . . . . 19 SER HA . 19610 1 198 . 1 . 1 19 19 SER HB2 H 1 3.895 0.050 . . . . . . . 19 SER HB2 . 19610 1 199 . 1 . 1 19 19 SER HB3 H 1 3.863 0.050 . . . . . . . 19 SER HB3 . 19610 1 200 . 1 . 1 19 19 SER C C 13 175.912 0.500 . . . . . . . 19 SER C . 19610 1 201 . 1 . 1 19 19 SER CA C 13 60.881 0.500 . . . . . . . 19 SER CA . 19610 1 202 . 1 . 1 19 19 SER CB C 13 63.043 0.500 . . . . . . . 19 SER CB . 19610 1 203 . 1 . 1 19 19 SER N N 15 114.728 0.500 . . . . . . . 19 SER N . 19610 1 204 . 1 . 1 20 20 ASP H H 1 8.301 0.050 . . . . . . . 20 ASP H . 19610 1 205 . 1 . 1 20 20 ASP HA H 1 4.448 0.050 . . . . . . . 20 ASP HA . 19610 1 206 . 1 . 1 20 20 ASP HB2 H 1 2.690 0.050 . . . . . . . 20 ASP HB2 . 19610 1 207 . 1 . 1 20 20 ASP HB3 H 1 2.604 0.050 . . . . . . . 20 ASP HB3 . 19610 1 208 . 1 . 1 20 20 ASP C C 13 177.598 0.500 . . . . . . . 20 ASP C . 19610 1 209 . 1 . 1 20 20 ASP CA C 13 55.995 0.500 . . . . . . . 20 ASP CA . 19610 1 210 . 1 . 1 20 20 ASP CB C 13 40.539 0.500 . . . . . . . 20 ASP CB . 19610 1 211 . 1 . 1 20 20 ASP N N 15 121.206 0.500 . . . . . . . 20 ASP N . 19610 1 212 . 1 . 1 21 21 LEU H H 1 7.807 0.050 . . . . . . . 21 LEU H . 19610 1 213 . 1 . 1 21 21 LEU HA H 1 4.142 0.050 . . . . . . . 21 LEU HA . 19610 1 214 . 1 . 1 21 21 LEU HB2 H 1 1.494 0.050 . . . . . . . 21 LEU HB2 . 19610 1 215 . 1 . 1 21 21 LEU HB3 H 1 1.731 0.050 . . . . . . . 21 LEU HB3 . 19610 1 216 . 1 . 1 21 21 LEU HG H 1 1.606 0.050 . . . . . . . 21 LEU HG . 19610 1 217 . 1 . 1 21 21 LEU HD11 H 1 0.844 0.050 . . . . . . . 21 LEU HD1 . 19610 1 218 . 1 . 1 21 21 LEU HD12 H 1 0.844 0.050 . . . . . . . 21 LEU HD1 . 19610 1 219 . 1 . 1 21 21 LEU HD13 H 1 0.844 0.050 . . . . . . . 21 LEU HD1 . 19610 1 220 . 1 . 1 21 21 LEU HD21 H 1 0.785 0.050 . . . . . . . 21 LEU HD2 . 19610 1 221 . 1 . 1 21 21 LEU HD22 H 1 0.785 0.050 . . . . . . . 21 LEU HD2 . 19610 1 222 . 1 . 1 21 21 LEU HD23 H 1 0.785 0.050 . . . . . . . 21 LEU HD2 . 19610 1 223 . 1 . 1 21 21 LEU C C 13 177.822 0.500 . . . . . . . 21 LEU C . 19610 1 224 . 1 . 1 21 21 LEU CA C 13 56.439 0.500 . . . . . . . 21 LEU CA . 19610 1 225 . 1 . 1 21 21 LEU CB C 13 42.252 0.500 . . . . . . . 21 LEU CB . 19610 1 226 . 1 . 1 21 21 LEU CG C 13 26.870 0.500 . . . . . . . 21 LEU CG . 19610 1 227 . 1 . 1 21 21 LEU CD1 C 13 25.467 0.500 . . . . . . . 21 LEU CD1 . 19610 1 228 . 1 . 1 21 21 LEU CD2 C 13 23.842 0.500 . . . . . . . 21 LEU CD2 . 19610 1 229 . 1 . 1 21 21 LEU N N 15 119.944 0.500 . . . . . . . 21 LEU N . 19610 1 230 . 1 . 1 22 22 LEU H H 1 7.878 0.050 . . . . . . . 22 LEU H . 19610 1 231 . 1 . 1 22 22 LEU HA H 1 4.076 0.050 . . . . . . . 22 LEU HA . 19610 1 232 . 1 . 1 22 22 LEU HB2 H 1 1.595 0.050 . . . . . . . 22 LEU HB2 . 19610 1 233 . 1 . 1 22 22 LEU HB3 H 1 1.501 0.050 . . . . . . . 22 LEU HB3 . 19610 1 234 . 1 . 1 22 22 LEU HG H 1 1.598 0.050 . . . . . . . 22 LEU HG . 19610 1 235 . 1 . 1 22 22 LEU HD11 H 1 0.785 0.050 . . . . . . . 22 LEU HD1 . 19610 1 236 . 1 . 1 22 22 LEU HD12 H 1 0.785 0.050 . . . . . . . 22 LEU HD1 . 19610 1 237 . 1 . 1 22 22 LEU HD13 H 1 0.785 0.050 . . . . . . . 22 LEU HD1 . 19610 1 238 . 1 . 1 22 22 LEU HD21 H 1 0.823 0.050 . . . . . . . 22 LEU HD2 . 19610 1 239 . 1 . 1 22 22 LEU HD22 H 1 0.823 0.050 . . . . . . . 22 LEU HD2 . 19610 1 240 . 1 . 1 22 22 LEU HD23 H 1 0.823 0.050 . . . . . . . 22 LEU HD2 . 19610 1 241 . 1 . 1 22 22 LEU C C 13 177.131 0.500 . . . . . . . 22 LEU C . 19610 1 242 . 1 . 1 22 22 LEU CA C 13 56.055 0.500 . . . . . . . 22 LEU CA . 19610 1 243 . 1 . 1 22 22 LEU CB C 13 41.844 0.500 . . . . . . . 22 LEU CB . 19610 1 244 . 1 . 1 22 22 LEU CG C 13 26.876 0.500 . . . . . . . 22 LEU CG . 19610 1 245 . 1 . 1 22 22 LEU CD1 C 13 23.838 0.500 . . . . . . . 22 LEU CD1 . 19610 1 246 . 1 . 1 22 22 LEU CD2 C 13 25.220 0.500 . . . . . . . 22 LEU CD2 . 19610 1 247 . 1 . 1 22 22 LEU N N 15 119.558 0.500 . . . . . . . 22 LEU N . 19610 1 248 . 1 . 1 23 23 ASP H H 1 7.990 0.050 . . . . . . . 23 ASP H . 19610 1 249 . 1 . 1 23 23 ASP HA H 1 4.464 0.050 . . . . . . . 23 ASP HA . 19610 1 250 . 1 . 1 23 23 ASP HB2 H 1 2.693 0.050 . . . . . . . 23 ASP HB2 . 19610 1 251 . 1 . 1 23 23 ASP HB3 H 1 2.632 0.050 . . . . . . . 23 ASP HB3 . 19610 1 252 . 1 . 1 23 23 ASP C C 13 177.379 0.500 . . . . . . . 23 ASP C . 19610 1 253 . 1 . 1 23 23 ASP CA C 13 54.927 0.500 . . . . . . . 23 ASP CA . 19610 1 254 . 1 . 1 23 23 ASP CB C 13 40.739 0.500 . . . . . . . 23 ASP CB . 19610 1 255 . 1 . 1 23 23 ASP N N 15 119.509 0.500 . . . . . . . 23 ASP N . 19610 1 256 . 1 . 1 24 24 PHE H H 1 8.204 0.050 . . . . . . . 24 PHE H . 19610 1 257 . 1 . 1 24 24 PHE HA H 1 4.466 0.050 . . . . . . . 24 PHE HA . 19610 1 258 . 1 . 1 24 24 PHE HB2 H 1 3.113 0.050 . . . . . . . 24 PHE HB2 . 19610 1 259 . 1 . 1 24 24 PHE HB3 H 1 3.186 0.050 . . . . . . . 24 PHE HB3 . 19610 1 260 . 1 . 1 24 24 PHE HD1 H 1 7.222 0.050 . . . . . . . 24 PHE HD1 . 19610 1 261 . 1 . 1 24 24 PHE HD2 H 1 7.222 0.050 . . . . . . . 24 PHE HD2 . 19610 1 262 . 1 . 1 24 24 PHE HE1 H 1 7.100 0.050 . . . . . . . 24 PHE HE1 . 19610 1 263 . 1 . 1 24 24 PHE HE2 H 1 7.100 0.050 . . . . . . . 24 PHE HE2 . 19610 1 264 . 1 . 1 24 24 PHE HZ H 1 7.123 0.050 . . . . . . . 24 PHE HZ . 19610 1 265 . 1 . 1 24 24 PHE C C 13 176.875 0.500 . . . . . . . 24 PHE C . 19610 1 266 . 1 . 1 24 24 PHE CA C 13 59.229 0.500 . . . . . . . 24 PHE CA . 19610 1 267 . 1 . 1 24 24 PHE CB C 13 39.007 0.500 . . . . . . . 24 PHE CB . 19610 1 268 . 1 . 1 24 24 PHE CD1 C 13 131.895 0.500 . . . . . . . 24 PHE CD1 . 19610 1 269 . 1 . 1 24 24 PHE CD2 C 13 131.895 0.500 . . . . . . . 24 PHE CD2 . 19610 1 270 . 1 . 1 24 24 PHE CE1 C 13 129.035 0.500 . . . . . . . 24 PHE CE1 . 19610 1 271 . 1 . 1 24 24 PHE CE2 C 13 129.035 0.500 . . . . . . . 24 PHE CE2 . 19610 1 272 . 1 . 1 24 24 PHE CZ C 13 129.325 0.500 . . . . . . . 24 PHE CZ . 19610 1 273 . 1 . 1 24 24 PHE N N 15 121.219 0.500 . . . . . . . 24 PHE N . 19610 1 274 . 1 . 1 25 25 SER H H 1 8.326 0.050 . . . . . . . 25 SER H . 19610 1 275 . 1 . 1 25 25 SER HA H 1 4.108 0.050 . . . . . . . 25 SER HA . 19610 1 276 . 1 . 1 25 25 SER HB2 H 1 3.791 0.050 . . . . . . . 25 SER HB2 . 19610 1 277 . 1 . 1 25 25 SER HB3 H 1 3.815 0.050 . . . . . . . 25 SER HB3 . 19610 1 278 . 1 . 1 25 25 SER C C 13 175.386 0.500 . . . . . . . 25 SER C . 19610 1 279 . 1 . 1 25 25 SER CA C 13 60.758 0.500 . . . . . . . 25 SER CA . 19610 1 280 . 1 . 1 25 25 SER CB C 13 62.998 0.500 . . . . . . . 25 SER CB . 19610 1 281 . 1 . 1 25 25 SER N N 15 115.500 0.500 . . . . . . . 25 SER N . 19610 1 282 . 1 . 1 26 26 MET H H 1 7.889 0.050 . . . . . . . 26 MET H . 19610 1 283 . 1 . 1 26 26 MET HA H 1 4.363 0.050 . . . . . . . 26 MET HA . 19610 1 284 . 1 . 1 26 26 MET HB2 H 1 2.014 0.050 . . . . . . . 26 MET HB2 . 19610 1 285 . 1 . 1 26 26 MET HB3 H 1 2.003 0.050 . . . . . . . 26 MET HB3 . 19610 1 286 . 1 . 1 26 26 MET HG2 H 1 2.456 0.050 . . . . . . . 26 MET HG2 . 19610 1 287 . 1 . 1 26 26 MET HG3 H 1 2.582 0.050 . . . . . . . 26 MET HG3 . 19610 1 288 . 1 . 1 26 26 MET HE1 H 1 2.013 0.050 . . . . . . . 26 MET HE . 19610 1 289 . 1 . 1 26 26 MET HE2 H 1 2.013 0.050 . . . . . . . 26 MET HE . 19610 1 290 . 1 . 1 26 26 MET HE3 H 1 2.013 0.050 . . . . . . . 26 MET HE . 19610 1 291 . 1 . 1 26 26 MET C C 13 176.450 0.500 . . . . . . . 26 MET C . 19610 1 292 . 1 . 1 26 26 MET CA C 13 55.949 0.500 . . . . . . . 26 MET CA . 19610 1 293 . 1 . 1 26 26 MET CB C 13 31.868 0.500 . . . . . . . 26 MET CB . 19610 1 294 . 1 . 1 26 26 MET CG C 13 32.180 0.500 . . . . . . . 26 MET CG . 19610 1 295 . 1 . 1 26 26 MET CE C 13 16.874 0.500 . . . . . . . 26 MET CE . 19610 1 296 . 1 . 1 26 26 MET N N 15 119.723 0.500 . . . . . . . 26 MET N . 19610 1 297 . 1 . 1 27 27 MET H H 1 7.656 0.050 . . . . . . . 27 MET H . 19610 1 298 . 1 . 1 27 27 MET HA H 1 4.186 0.050 . . . . . . . 27 MET HA . 19610 1 299 . 1 . 1 27 27 MET HB2 H 1 1.798 0.050 . . . . . . . 27 MET HB2 . 19610 1 300 . 1 . 1 27 27 MET HB3 H 1 1.698 0.050 . . . . . . . 27 MET HB3 . 19610 1 301 . 1 . 1 27 27 MET HG2 H 1 2.241 0.050 . . . . . . . 27 MET HG2 . 19610 1 302 . 1 . 1 27 27 MET HG3 H 1 2.414 0.050 . . . . . . . 27 MET HG3 . 19610 1 303 . 1 . 1 27 27 MET HE1 H 1 1.932 0.050 . . . . . . . 27 MET HE . 19610 1 304 . 1 . 1 27 27 MET HE2 H 1 1.932 0.050 . . . . . . . 27 MET HE . 19610 1 305 . 1 . 1 27 27 MET HE3 H 1 1.932 0.050 . . . . . . . 27 MET HE . 19610 1 306 . 1 . 1 27 27 MET C C 13 175.341 0.500 . . . . . . . 27 MET C . 19610 1 307 . 1 . 1 27 27 MET CA C 13 56.102 0.500 . . . . . . . 27 MET CA . 19610 1 308 . 1 . 1 27 27 MET CB C 13 33.161 0.500 . . . . . . . 27 MET CB . 19610 1 309 . 1 . 1 27 27 MET CG C 13 32.148 0.500 . . . . . . . 27 MET CG . 19610 1 310 . 1 . 1 27 27 MET CE C 13 17.160 0.500 . . . . . . . 27 MET CE . 19610 1 311 . 1 . 1 27 27 MET N N 15 117.872 0.500 . . . . . . . 27 MET N . 19610 1 312 . 1 . 1 28 28 PHE H H 1 7.682 0.050 . . . . . . . 28 PHE H . 19610 1 313 . 1 . 1 28 28 PHE HA H 1 4.804 0.050 . . . . . . . 28 PHE HA . 19610 1 314 . 1 . 1 28 28 PHE HB2 H 1 2.868 0.050 . . . . . . . 28 PHE HB2 . 19610 1 315 . 1 . 1 28 28 PHE HB3 H 1 3.043 0.050 . . . . . . . 28 PHE HB3 . 19610 1 316 . 1 . 1 28 28 PHE HD1 H 1 7.153 0.050 . . . . . . . 28 PHE HD1 . 19610 1 317 . 1 . 1 28 28 PHE HD2 H 1 7.153 0.050 . . . . . . . 28 PHE HD2 . 19610 1 318 . 1 . 1 28 28 PHE HE1 H 1 7.284 0.050 . . . . . . . 28 PHE HE1 . 19610 1 319 . 1 . 1 28 28 PHE HE2 H 1 7.284 0.050 . . . . . . . 28 PHE HE2 . 19610 1 320 . 1 . 1 28 28 PHE HZ H 1 7.088 0.050 . . . . . . . 28 PHE HZ . 19610 1 321 . 1 . 1 28 28 PHE C C 13 173.132 0.500 . . . . . . . 28 PHE C . 19610 1 322 . 1 . 1 28 28 PHE CA C 13 54.795 0.500 . . . . . . . 28 PHE CA . 19610 1 323 . 1 . 1 28 28 PHE CB C 13 38.729 0.500 . . . . . . . 28 PHE CB . 19610 1 324 . 1 . 1 28 28 PHE CD1 C 13 132.082 0.500 . . . . . . . 28 PHE CD1 . 19610 1 325 . 1 . 1 28 28 PHE CD2 C 13 132.082 0.500 . . . . . . . 28 PHE CD2 . 19610 1 326 . 1 . 1 28 28 PHE CE1 C 13 131.225 0.500 . . . . . . . 28 PHE CE1 . 19610 1 327 . 1 . 1 28 28 PHE CE2 C 13 131.225 0.500 . . . . . . . 28 PHE CE2 . 19610 1 328 . 1 . 1 28 28 PHE CZ C 13 130.974 0.500 . . . . . . . 28 PHE CZ . 19610 1 329 . 1 . 1 28 28 PHE N N 15 118.702 0.500 . . . . . . . 28 PHE N . 19610 1 330 . 1 . 1 29 29 PRO HA H 1 4.461 0.050 . . . . . . . 29 PRO HA . 19610 1 331 . 1 . 1 29 29 PRO HB2 H 1 2.176 0.050 . . . . . . . 29 PRO HB2 . 19610 1 332 . 1 . 1 29 29 PRO HB3 H 1 1.890 0.050 . . . . . . . 29 PRO HB3 . 19610 1 333 . 1 . 1 29 29 PRO HG2 H 1 1.892 0.050 . . . . . . . 29 PRO HG2 . 19610 1 334 . 1 . 1 29 29 PRO HD2 H 1 3.595 0.050 . . . . . . . 29 PRO HD2 . 19610 1 335 . 1 . 1 29 29 PRO HD3 H 1 3.439 0.050 . . . . . . . 29 PRO HD3 . 19610 1 336 . 1 . 1 29 29 PRO C C 13 176.360 0.500 . . . . . . . 29 PRO C . 19610 1 337 . 1 . 1 29 29 PRO CA C 13 62.820 0.500 . . . . . . . 29 PRO CA . 19610 1 338 . 1 . 1 29 29 PRO CB C 13 31.581 0.500 . . . . . . . 29 PRO CB . 19610 1 339 . 1 . 1 29 29 PRO CG C 13 27.414 0.500 . . . . . . . 29 PRO CG . 19610 1 340 . 1 . 1 29 29 PRO CD C 13 50.269 0.500 . . . . . . . 29 PRO CD . 19610 1 341 . 1 . 1 30 30 LEU H H 1 8.284 0.050 . . . . . . . 30 LEU H . 19610 1 342 . 1 . 1 30 30 LEU HA H 1 4.539 0.050 . . . . . . . 30 LEU HA . 19610 1 343 . 1 . 1 30 30 LEU HB2 H 1 1.540 0.050 . . . . . . . 30 LEU HB2 . 19610 1 344 . 1 . 1 30 30 LEU HB3 H 1 1.565 0.050 . . . . . . . 30 LEU HB3 . 19610 1 345 . 1 . 1 30 30 LEU HG H 1 1.676 0.050 . . . . . . . 30 LEU HG . 19610 1 346 . 1 . 1 30 30 LEU HD11 H 1 0.937 0.050 . . . . . . . 30 LEU HD1 . 19610 1 347 . 1 . 1 30 30 LEU HD12 H 1 0.937 0.050 . . . . . . . 30 LEU HD1 . 19610 1 348 . 1 . 1 30 30 LEU HD13 H 1 0.937 0.050 . . . . . . . 30 LEU HD1 . 19610 1 349 . 1 . 1 30 30 LEU HD21 H 1 0.894 0.050 . . . . . . . 30 LEU HD2 . 19610 1 350 . 1 . 1 30 30 LEU HD22 H 1 0.894 0.050 . . . . . . . 30 LEU HD2 . 19610 1 351 . 1 . 1 30 30 LEU HD23 H 1 0.894 0.050 . . . . . . . 30 LEU HD2 . 19610 1 352 . 1 . 1 30 30 LEU C C 13 175.365 0.500 . . . . . . . 30 LEU C . 19610 1 353 . 1 . 1 30 30 LEU CA C 13 52.911 0.500 . . . . . . . 30 LEU CA . 19610 1 354 . 1 . 1 30 30 LEU CB C 13 41.673 0.500 . . . . . . . 30 LEU CB . 19610 1 355 . 1 . 1 30 30 LEU CG C 13 27.214 0.500 . . . . . . . 30 LEU CG . 19610 1 356 . 1 . 1 30 30 LEU CD1 C 13 25.462 0.500 . . . . . . . 30 LEU CD1 . 19610 1 357 . 1 . 1 30 30 LEU CD2 C 13 23.478 0.500 . . . . . . . 30 LEU CD2 . 19610 1 358 . 1 . 1 30 30 LEU N N 15 123.391 0.500 . . . . . . . 30 LEU N . 19610 1 359 . 1 . 1 31 31 PRO HA H 1 4.438 0.050 . . . . . . . 31 PRO HA . 19610 1 360 . 1 . 1 31 31 PRO HB2 H 1 2.261 0.050 . . . . . . . 31 PRO HB2 . 19610 1 361 . 1 . 1 31 31 PRO HB3 H 1 1.850 0.050 . . . . . . . 31 PRO HB3 . 19610 1 362 . 1 . 1 31 31 PRO HG2 H 1 1.996 0.050 . . . . . . . 31 PRO HG2 . 19610 1 363 . 1 . 1 31 31 PRO HD2 H 1 3.788 0.050 . . . . . . . 31 PRO HD2 . 19610 1 364 . 1 . 1 31 31 PRO HD3 H 1 3.605 0.050 . . . . . . . 31 PRO HD3 . 19610 1 365 . 1 . 1 31 31 PRO C C 13 176.688 0.500 . . . . . . . 31 PRO C . 19610 1 366 . 1 . 1 31 31 PRO CA C 13 62.880 0.500 . . . . . . . 31 PRO CA . 19610 1 367 . 1 . 1 31 31 PRO CB C 13 32.043 0.500 . . . . . . . 31 PRO CB . 19610 1 368 . 1 . 1 31 31 PRO CG C 13 27.402 0.500 . . . . . . . 31 PRO CG . 19610 1 369 . 1 . 1 31 31 PRO CD C 13 50.470 0.500 . . . . . . . 31 PRO CD . 19610 1 370 . 1 . 1 32 32 VAL H H 1 8.344 0.050 . . . . . . . 32 VAL H . 19610 1 371 . 1 . 1 32 32 VAL HA H 1 4.140 0.050 . . . . . . . 32 VAL HA . 19610 1 372 . 1 . 1 32 32 VAL HB H 1 2.046 0.050 . . . . . . . 32 VAL HB . 19610 1 373 . 1 . 1 32 32 VAL HG11 H 1 0.934 0.050 . . . . . . . 32 VAL HG1 . 19610 1 374 . 1 . 1 32 32 VAL HG12 H 1 0.934 0.050 . . . . . . . 32 VAL HG1 . 19610 1 375 . 1 . 1 32 32 VAL HG13 H 1 0.934 0.050 . . . . . . . 32 VAL HG1 . 19610 1 376 . 1 . 1 32 32 VAL HG21 H 1 0.920 0.050 . . . . . . . 32 VAL HG2 . 19610 1 377 . 1 . 1 32 32 VAL HG22 H 1 0.920 0.050 . . . . . . . 32 VAL HG2 . 19610 1 378 . 1 . 1 32 32 VAL HG23 H 1 0.920 0.050 . . . . . . . 32 VAL HG2 . 19610 1 379 . 1 . 1 32 32 VAL C C 13 176.579 0.500 . . . . . . . 32 VAL C . 19610 1 380 . 1 . 1 32 32 VAL CA C 13 62.241 0.500 . . . . . . . 32 VAL CA . 19610 1 381 . 1 . 1 32 32 VAL CB C 13 32.809 0.500 . . . . . . . 32 VAL CB . 19610 1 382 . 1 . 1 32 32 VAL CG1 C 13 20.493 0.500 . . . . . . . 32 VAL CG1 . 19610 1 383 . 1 . 1 32 32 VAL CG2 C 13 21.254 0.500 . . . . . . . 32 VAL CG2 . 19610 1 384 . 1 . 1 32 32 VAL N N 15 120.844 0.500 . . . . . . . 32 VAL N . 19610 1 385 . 1 . 1 33 33 THR H H 1 8.326 0.050 . . . . . . . 33 THR H . 19610 1 386 . 1 . 1 33 33 THR HA H 1 4.373 0.050 . . . . . . . 33 THR HA . 19610 1 387 . 1 . 1 33 33 THR HB H 1 4.191 0.050 . . . . . . . 33 THR HB . 19610 1 388 . 1 . 1 33 33 THR HG21 H 1 1.148 0.050 . . . . . . . 33 THR HG2 . 19610 1 389 . 1 . 1 33 33 THR HG22 H 1 1.148 0.050 . . . . . . . 33 THR HG2 . 19610 1 390 . 1 . 1 33 33 THR HG23 H 1 1.148 0.050 . . . . . . . 33 THR HG2 . 19610 1 391 . 1 . 1 33 33 THR C C 13 174.172 0.500 . . . . . . . 33 THR C . 19610 1 392 . 1 . 1 33 33 THR CA C 13 61.407 0.500 . . . . . . . 33 THR CA . 19610 1 393 . 1 . 1 33 33 THR CB C 13 69.891 0.500 . . . . . . . 33 THR CB . 19610 1 394 . 1 . 1 33 33 THR CG2 C 13 21.445 0.500 . . . . . . . 33 THR CG2 . 19610 1 395 . 1 . 1 33 33 THR N N 15 118.041 0.500 . . . . . . . 33 THR N . 19610 1 396 . 1 . 1 34 34 ASN H H 1 8.526 0.050 . . . . . . . 34 ASN H . 19610 1 397 . 1 . 1 34 34 ASN HA H 1 4.709 0.050 . . . . . . . 34 ASN HA . 19610 1 398 . 1 . 1 34 34 ASN HB3 H 1 2.803 0.050 . . . . . . . 34 ASN HB3 . 19610 1 399 . 1 . 1 34 34 ASN HD21 H 1 7.652 0.050 . . . . . . . 34 ASN HD21 . 19610 1 400 . 1 . 1 34 34 ASN HD22 H 1 6.934 0.050 . . . . . . . 34 ASN HD22 . 19610 1 401 . 1 . 1 34 34 ASN C C 13 175.639 0.500 . . . . . . . 34 ASN C . 19610 1 402 . 1 . 1 34 34 ASN CA C 13 53.218 0.500 . . . . . . . 34 ASN CA . 19610 1 403 . 1 . 1 34 34 ASN CB C 13 38.957 0.500 . . . . . . . 34 ASN CB . 19610 1 404 . 1 . 1 34 34 ASN CG C 13 177.014 0.500 . . . . . . . 34 ASN CG . 19610 1 405 . 1 . 1 34 34 ASN N N 15 121.367 0.500 . . . . . . . 34 ASN N . 19610 1 406 . 1 . 1 34 34 ASN ND2 N 15 112.763 0.500 . . . . . . . 34 ASN ND2 . 19610 1 407 . 1 . 1 35 35 GLY H H 1 8.449 0.050 . . . . . . . 35 GLY H . 19610 1 408 . 1 . 1 35 35 GLY HA3 H 1 3.922 0.050 . . . . . . . 35 GLY HA3 . 19610 1 409 . 1 . 1 35 35 GLY C C 13 174.112 0.500 . . . . . . . 35 GLY C . 19610 1 410 . 1 . 1 35 35 GLY CA C 13 45.370 0.500 . . . . . . . 35 GLY CA . 19610 1 411 . 1 . 1 35 35 GLY N N 15 109.437 0.500 . . . . . . . 35 GLY N . 19610 1 412 . 1 . 1 36 36 LYS H H 1 8.261 0.050 . . . . . . . 36 LYS H . 19610 1 413 . 1 . 1 36 36 LYS HA H 1 4.303 0.050 . . . . . . . 36 LYS HA . 19610 1 414 . 1 . 1 36 36 LYS HB2 H 1 1.743 0.050 . . . . . . . 36 LYS HB2 . 19610 1 415 . 1 . 1 36 36 LYS HB3 H 1 1.843 0.050 . . . . . . . 36 LYS HB3 . 19610 1 416 . 1 . 1 36 36 LYS HG2 H 1 1.379 0.050 . . . . . . . 36 LYS HG2 . 19610 1 417 . 1 . 1 36 36 LYS HG3 H 1 1.414 0.050 . . . . . . . 36 LYS HG3 . 19610 1 418 . 1 . 1 36 36 LYS HD3 H 1 1.645 0.050 . . . . . . . 36 LYS HD3 . 19610 1 419 . 1 . 1 36 36 LYS HE3 H 1 2.965 0.050 . . . . . . . 36 LYS HE3 . 19610 1 420 . 1 . 1 36 36 LYS C C 13 177.182 0.500 . . . . . . . 36 LYS C . 19610 1 421 . 1 . 1 36 36 LYS CA C 13 56.300 0.500 . . . . . . . 36 LYS CA . 19610 1 422 . 1 . 1 36 36 LYS CB C 13 32.895 0.500 . . . . . . . 36 LYS CB . 19610 1 423 . 1 . 1 36 36 LYS CG C 13 24.759 0.500 . . . . . . . 36 LYS CG . 19610 1 424 . 1 . 1 36 36 LYS CD C 13 28.976 0.500 . . . . . . . 36 LYS CD . 19610 1 425 . 1 . 1 36 36 LYS CE C 13 42.121 0.500 . . . . . . . 36 LYS CE . 19610 1 426 . 1 . 1 36 36 LYS N N 15 120.614 0.500 . . . . . . . 36 LYS N . 19610 1 427 . 1 . 1 37 37 GLY H H 1 8.484 0.050 . . . . . . . 37 GLY H . 19610 1 428 . 1 . 1 37 37 GLY HA3 H 1 3.896 0.050 . . . . . . . 37 GLY HA3 . 19610 1 429 . 1 . 1 37 37 GLY C C 13 173.463 0.500 . . . . . . . 37 GLY C . 19610 1 430 . 1 . 1 37 37 GLY CA C 13 45.122 0.500 . . . . . . . 37 GLY CA . 19610 1 431 . 1 . 1 37 37 GLY N N 15 110.011 0.500 . . . . . . . 37 GLY N . 19610 1 432 . 1 . 1 38 38 ARG H H 1 8.105 0.050 . . . . . . . 38 ARG H . 19610 1 433 . 1 . 1 38 38 ARG HA H 1 4.619 0.050 . . . . . . . 38 ARG HA . 19610 1 434 . 1 . 1 38 38 ARG HB2 H 1 1.709 0.050 . . . . . . . 38 ARG HB2 . 19610 1 435 . 1 . 1 38 38 ARG HB3 H 1 1.861 0.050 . . . . . . . 38 ARG HB3 . 19610 1 436 . 1 . 1 38 38 ARG HG3 H 1 1.641 0.050 . . . . . . . 38 ARG HG3 . 19610 1 437 . 1 . 1 38 38 ARG HD2 H 1 3.176 0.050 . . . . . . . 38 ARG HD2 . 19610 1 438 . 1 . 1 38 38 ARG C C 13 173.448 0.500 . . . . . . . 38 ARG C . 19610 1 439 . 1 . 1 38 38 ARG CA C 13 53.702 0.500 . . . . . . . 38 ARG CA . 19610 1 440 . 1 . 1 38 38 ARG CB C 13 30.121 0.500 . . . . . . . 38 ARG CB . 19610 1 441 . 1 . 1 38 38 ARG CG C 13 26.589 0.500 . . . . . . . 38 ARG CG . 19610 1 442 . 1 . 1 38 38 ARG CD C 13 43.354 0.500 . . . . . . . 38 ARG CD . 19610 1 443 . 1 . 1 38 38 ARG N N 15 121.698 0.500 . . . . . . . 38 ARG N . 19610 1 444 . 1 . 1 39 39 PRO HA H 1 4.284 0.050 . . . . . . . 39 PRO HA . 19610 1 445 . 1 . 1 39 39 PRO HB2 H 1 2.241 0.050 . . . . . . . 39 PRO HB2 . 19610 1 446 . 1 . 1 39 39 PRO HB3 H 1 2.070 0.050 . . . . . . . 39 PRO HB3 . 19610 1 447 . 1 . 1 39 39 PRO HG2 H 1 1.870 0.050 . . . . . . . 39 PRO HG2 . 19610 1 448 . 1 . 1 39 39 PRO HG3 H 1 1.804 0.050 . . . . . . . 39 PRO HG3 . 19610 1 449 . 1 . 1 39 39 PRO HD2 H 1 3.416 0.050 . . . . . . . 39 PRO HD2 . 19610 1 450 . 1 . 1 39 39 PRO HD3 H 1 3.560 0.050 . . . . . . . 39 PRO HD3 . 19610 1 451 . 1 . 1 39 39 PRO CA C 13 64.736 0.500 . . . . . . . 39 PRO CA . 19610 1 452 . 1 . 1 39 39 PRO CB C 13 34.233 0.500 . . . . . . . 39 PRO CB . 19610 1 453 . 1 . 1 39 39 PRO CG C 13 24.759 0.500 . . . . . . . 39 PRO CG . 19610 1 454 . 1 . 1 39 39 PRO CD C 13 49.963 0.500 . . . . . . . 39 PRO CD . 19610 1 455 . 2 . 2 1 1 GLY HA2 H 1 3.856 0.050 . . . . . . B 1721 GLY HA2 . 19610 1 456 . 2 . 2 1 1 GLY CA C 13 43.399 0.500 . . . . . . B 1721 GLY CA . 19610 1 457 . 2 . 2 2 2 SER HA H 1 4.477 0.050 . . . . . . B 1722 SER HA . 19610 1 458 . 2 . 2 2 2 SER HB3 H 1 3.845 0.050 . . . . . . B 1722 SER HB3 . 19610 1 459 . 2 . 2 2 2 SER C C 13 174.363 0.500 . . . . . . B 1722 SER C . 19610 1 460 . 2 . 2 2 2 SER CA C 13 58.286 0.500 . . . . . . B 1722 SER CA . 19610 1 461 . 2 . 2 2 2 SER CB C 13 63.951 0.500 . . . . . . B 1722 SER CB . 19610 1 462 . 2 . 2 3 3 ALA H H 1 8.615 0.050 . . . . . . B 1723 ALA H . 19610 1 463 . 2 . 2 3 3 ALA HA H 1 4.386 0.050 . . . . . . B 1723 ALA HA . 19610 1 464 . 2 . 2 3 3 ALA HB1 H 1 1.394 0.050 . . . . . . B 1723 ALA HB1 . 19610 1 465 . 2 . 2 3 3 ALA HB2 H 1 1.394 0.050 . . . . . . B 1723 ALA HB2 . 19610 1 466 . 2 . 2 3 3 ALA HB3 H 1 1.394 0.050 . . . . . . B 1723 ALA HB3 . 19610 1 467 . 2 . 2 3 3 ALA C C 13 177.956 0.500 . . . . . . B 1723 ALA C . 19610 1 468 . 2 . 2 3 3 ALA CA C 13 52.711 0.500 . . . . . . B 1723 ALA CA . 19610 1 469 . 2 . 2 3 3 ALA CB C 13 19.200 0.500 . . . . . . B 1723 ALA CB . 19610 1 470 . 2 . 2 3 3 ALA N N 15 126.299 0.500 . . . . . . B 1723 ALA N . 19610 1 471 . 2 . 2 4 4 THR H H 1 8.184 0.050 . . . . . . B 1724 THR H . 19610 1 472 . 2 . 2 4 4 THR HA H 1 4.276 0.050 . . . . . . B 1724 THR HA . 19610 1 473 . 2 . 2 4 4 THR HB H 1 4.163 0.050 . . . . . . B 1724 THR HB . 19610 1 474 . 2 . 2 4 4 THR HG21 H 1 1.170 0.050 . . . . . . B 1724 THR HG21 . 19610 1 475 . 2 . 2 4 4 THR HG22 H 1 1.170 0.050 . . . . . . B 1724 THR HG22 . 19610 1 476 . 2 . 2 4 4 THR HG23 H 1 1.170 0.050 . . . . . . B 1724 THR HG23 . 19610 1 477 . 2 . 2 4 4 THR C C 13 174.381 0.500 . . . . . . B 1724 THR C . 19610 1 478 . 2 . 2 4 4 THR CA C 13 61.845 0.500 . . . . . . B 1724 THR CA . 19610 1 479 . 2 . 2 4 4 THR CB C 13 69.759 0.500 . . . . . . B 1724 THR CB . 19610 1 480 . 2 . 2 4 4 THR CG2 C 13 21.613 0.500 . . . . . . B 1724 THR CG2 . 19610 1 481 . 2 . 2 4 4 THR N N 15 113.655 0.500 . . . . . . B 1724 THR N . 19610 1 482 . 2 . 2 5 5 GLN H H 1 8.402 0.050 . . . . . . B 1725 GLN H . 19610 1 483 . 2 . 2 5 5 GLN HA H 1 4.398 0.050 . . . . . . B 1725 GLN HA . 19610 1 484 . 2 . 2 5 5 GLN HB2 H 1 2.070 0.050 . . . . . . B 1725 GLN HB2 . 19610 1 485 . 2 . 2 5 5 GLN HB3 H 1 1.952 0.050 . . . . . . B 1725 GLN HB3 . 19610 1 486 . 2 . 2 5 5 GLN HG2 H 1 2.335 0.050 . . . . . . B 1725 GLN HG2 . 19610 1 487 . 2 . 2 5 5 GLN HE21 H 1 6.823 0.050 . . . . . . B 1725 GLN HE21 . 19610 1 488 . 2 . 2 5 5 GLN HE22 H 1 7.581 0.050 . . . . . . B 1725 GLN HE22 . 19610 1 489 . 2 . 2 5 5 GLN C C 13 175.647 0.500 . . . . . . B 1725 GLN C . 19610 1 490 . 2 . 2 5 5 GLN CA C 13 55.574 0.500 . . . . . . B 1725 GLN CA . 19610 1 491 . 2 . 2 5 5 GLN CB C 13 29.873 0.500 . . . . . . B 1725 GLN CB . 19610 1 492 . 2 . 2 5 5 GLN CG C 13 33.833 0.500 . . . . . . B 1725 GLN CG . 19610 1 493 . 2 . 2 5 5 GLN N N 15 123.096 0.500 . . . . . . B 1725 GLN N . 19610 1 494 . 2 . 2 5 5 GLN NE2 N 15 111.991 0.500 . . . . . . B 1725 GLN NE2 . 19610 1 495 . 2 . 2 6 6 SER H H 1 8.716 0.050 . . . . . . B 1726 SER H . 19610 1 496 . 2 . 2 6 6 SER HA H 1 4.751 0.050 . . . . . . B 1726 SER HA . 19610 1 497 . 2 . 2 6 6 SER HB3 H 1 3.897 0.050 . . . . . . B 1726 SER HB3 . 19610 1 498 . 2 . 2 6 6 SER CA C 13 56.485 0.500 . . . . . . B 1726 SER CA . 19610 1 499 . 2 . 2 6 6 SER CB C 13 63.187 0.500 . . . . . . B 1726 SER CB . 19610 1 500 . 2 . 2 6 6 SER N N 15 119.809 0.500 . . . . . . B 1726 SER N . 19610 1 501 . 2 . 2 7 7 PRO HA H 1 4.405 0.050 . . . . . . B 1727 PRO HA . 19610 1 502 . 2 . 2 7 7 PRO HB2 H 1 1.942 0.050 . . . . . . B 1727 PRO HB2 . 19610 1 503 . 2 . 2 7 7 PRO HB3 H 1 2.316 0.050 . . . . . . B 1727 PRO HB3 . 19610 1 504 . 2 . 2 7 7 PRO HG2 H 1 2.016 0.050 . . . . . . B 1727 PRO HG2 . 19610 1 505 . 2 . 2 7 7 PRO HG3 H 1 2.072 0.050 . . . . . . B 1727 PRO HG3 . 19610 1 506 . 2 . 2 7 7 PRO HD2 H 1 3.845 0.050 . . . . . . B 1727 PRO HD2 . 19610 1 507 . 2 . 2 7 7 PRO HD3 H 1 3.764 0.050 . . . . . . B 1727 PRO HD3 . 19610 1 508 . 2 . 2 7 7 PRO C C 13 178.080 0.500 . . . . . . B 1727 PRO C . 19610 1 509 . 2 . 2 7 7 PRO CA C 13 64.183 0.500 . . . . . . B 1727 PRO CA . 19610 1 510 . 2 . 2 7 7 PRO CB C 13 31.996 0.500 . . . . . . B 1727 PRO CB . 19610 1 511 . 2 . 2 7 7 PRO CG C 13 27.536 0.500 . . . . . . B 1727 PRO CG . 19610 1 512 . 2 . 2 7 7 PRO CD C 13 50.719 0.500 . . . . . . B 1727 PRO CD . 19610 1 513 . 2 . 2 8 8 GLY H H 1 8.522 0.050 . . . . . . B 1728 GLY H . 19610 1 514 . 2 . 2 8 8 GLY HA2 H 1 3.900 0.050 . . . . . . B 1728 GLY HA2 . 19610 1 515 . 2 . 2 8 8 GLY C C 13 174.659 0.500 . . . . . . B 1728 GLY C . 19610 1 516 . 2 . 2 8 8 GLY CA C 13 45.734 0.500 . . . . . . B 1728 GLY CA . 19610 1 517 . 2 . 2 8 8 GLY N N 15 108.158 0.500 . . . . . . B 1728 GLY N . 19610 1 518 . 2 . 2 9 9 ASP H H 1 8.111 0.050 . . . . . . B 1729 ASP H . 19610 1 519 . 2 . 2 9 9 ASP HA H 1 4.574 0.050 . . . . . . B 1729 ASP HA . 19610 1 520 . 2 . 2 9 9 ASP HB2 H 1 2.713 0.050 . . . . . . B 1729 ASP HB2 . 19610 1 521 . 2 . 2 9 9 ASP C C 13 177.377 0.500 . . . . . . B 1729 ASP C . 19610 1 522 . 2 . 2 9 9 ASP CA C 13 55.332 0.500 . . . . . . B 1729 ASP CA . 19610 1 523 . 2 . 2 9 9 ASP CB C 13 41.154 0.500 . . . . . . B 1729 ASP CB . 19610 1 524 . 2 . 2 9 9 ASP N N 15 121.445 0.500 . . . . . . B 1729 ASP N . 19610 1 525 . 2 . 2 10 10 SER H H 1 8.443 0.050 . . . . . . B 1730 SER H . 19610 1 526 . 2 . 2 10 10 SER HA H 1 4.222 0.050 . . . . . . B 1730 SER HA . 19610 1 527 . 2 . 2 10 10 SER HB2 H 1 3.951 0.050 . . . . . . B 1730 SER HB2 . 19610 1 528 . 2 . 2 10 10 SER HB3 H 1 3.907 0.050 . . . . . . B 1730 SER HB3 . 19610 1 529 . 2 . 2 10 10 SER C C 13 176.278 0.500 . . . . . . B 1730 SER C . 19610 1 530 . 2 . 2 10 10 SER CA C 13 60.591 0.500 . . . . . . B 1730 SER CA . 19610 1 531 . 2 . 2 10 10 SER CB C 13 63.052 0.500 . . . . . . B 1730 SER CB . 19610 1 532 . 2 . 2 10 10 SER N N 15 117.076 0.500 . . . . . . B 1730 SER N . 19610 1 533 . 2 . 2 11 11 ARG H H 1 8.305 0.050 . . . . . . B 1731 ARG H . 19610 1 534 . 2 . 2 11 11 ARG HA H 1 4.141 0.050 . . . . . . B 1731 ARG HA . 19610 1 535 . 2 . 2 11 11 ARG HB2 H 1 1.850 0.050 . . . . . . B 1731 ARG HB2 . 19610 1 536 . 2 . 2 11 11 ARG HG2 H 1 1.653 0.050 . . . . . . B 1731 ARG HG2 . 19610 1 537 . 2 . 2 11 11 ARG HG3 H 1 1.556 0.050 . . . . . . B 1731 ARG HG3 . 19610 1 538 . 2 . 2 11 11 ARG HD2 H 1 3.145 0.050 . . . . . . B 1731 ARG HD2 . 19610 1 539 . 2 . 2 11 11 ARG C C 13 177.555 0.500 . . . . . . B 1731 ARG C . 19610 1 540 . 2 . 2 11 11 ARG CA C 13 58.425 0.500 . . . . . . B 1731 ARG CA . 19610 1 541 . 2 . 2 11 11 ARG CB C 13 30.054 0.500 . . . . . . B 1731 ARG CB . 19610 1 542 . 2 . 2 11 11 ARG CG C 13 27.372 0.500 . . . . . . B 1731 ARG CG . 19610 1 543 . 2 . 2 11 11 ARG CD C 13 43.352 0.500 . . . . . . B 1731 ARG CD . 19610 1 544 . 2 . 2 11 11 ARG N N 15 123.002 0.500 . . . . . . B 1731 ARG N . 19610 1 545 . 2 . 2 12 12 ARG H H 1 8.002 0.050 . . . . . . B 1732 ARG H . 19610 1 546 . 2 . 2 12 12 ARG HA H 1 3.960 0.050 . . . . . . B 1732 ARG HA . 19610 1 547 . 2 . 2 12 12 ARG HB2 H 1 1.847 0.050 . . . . . . B 1732 ARG HB2 . 19610 1 548 . 2 . 2 12 12 ARG HG2 H 1 1.668 0.050 . . . . . . B 1732 ARG HG2 . 19610 1 549 . 2 . 2 12 12 ARG HG3 H 1 1.527 0.050 . . . . . . B 1732 ARG HG3 . 19610 1 550 . 2 . 2 12 12 ARG HD2 H 1 3.187 0.050 . . . . . . B 1732 ARG HD2 . 19610 1 551 . 2 . 2 12 12 ARG C C 13 178.030 0.500 . . . . . . B 1732 ARG C . 19610 1 552 . 2 . 2 12 12 ARG CA C 13 58.832 0.500 . . . . . . B 1732 ARG CA . 19610 1 553 . 2 . 2 12 12 ARG CB C 13 30.152 0.500 . . . . . . B 1732 ARG CB . 19610 1 554 . 2 . 2 12 12 ARG CG C 13 27.690 0.500 . . . . . . B 1732 ARG CG . 19610 1 555 . 2 . 2 12 12 ARG CD C 13 43.322 0.500 . . . . . . B 1732 ARG CD . 19610 1 556 . 2 . 2 12 12 ARG N N 15 119.421 0.500 . . . . . . B 1732 ARG N . 19610 1 557 . 2 . 2 13 13 LEU H H 1 8.120 0.050 . . . . . . B 1733 LEU H . 19610 1 558 . 2 . 2 13 13 LEU HA H 1 4.163 0.050 . . . . . . B 1733 LEU HA . 19610 1 559 . 2 . 2 13 13 LEU HB2 H 1 1.718 0.050 . . . . . . B 1733 LEU HB2 . 19610 1 560 . 2 . 2 13 13 LEU HB3 H 1 1.575 0.050 . . . . . . B 1733 LEU HB3 . 19610 1 561 . 2 . 2 13 13 LEU HG H 1 1.628 0.050 . . . . . . B 1733 LEU HG . 19610 1 562 . 2 . 2 13 13 LEU HD11 H 1 0.864 0.050 . . . . . . B 1733 LEU HD11 . 19610 1 563 . 2 . 2 13 13 LEU HD12 H 1 0.864 0.050 . . . . . . B 1733 LEU HD12 . 19610 1 564 . 2 . 2 13 13 LEU HD13 H 1 0.864 0.050 . . . . . . B 1733 LEU HD13 . 19610 1 565 . 2 . 2 13 13 LEU HD21 H 1 0.844 0.050 . . . . . . B 1733 LEU HD21 . 19610 1 566 . 2 . 2 13 13 LEU HD22 H 1 0.844 0.050 . . . . . . B 1733 LEU HD22 . 19610 1 567 . 2 . 2 13 13 LEU HD23 H 1 0.844 0.050 . . . . . . B 1733 LEU HD23 . 19610 1 568 . 2 . 2 13 13 LEU C C 13 178.752 0.500 . . . . . . B 1733 LEU C . 19610 1 569 . 2 . 2 13 13 LEU CA C 13 57.201 0.500 . . . . . . B 1733 LEU CA . 19610 1 570 . 2 . 2 13 13 LEU CB C 13 41.861 0.500 . . . . . . B 1733 LEU CB . 19610 1 571 . 2 . 2 13 13 LEU CG C 13 27.143 0.500 . . . . . . B 1733 LEU CG . 19610 1 572 . 2 . 2 13 13 LEU CD1 C 13 24.677 0.500 . . . . . . B 1733 LEU CD1 . 19610 1 573 . 2 . 2 13 13 LEU CD2 C 13 23.695 0.500 . . . . . . B 1733 LEU CD2 . 19610 1 574 . 2 . 2 13 13 LEU N N 15 120.329 0.500 . . . . . . B 1733 LEU N . 19610 1 575 . 2 . 2 14 14 SER H H 1 8.066 0.050 . . . . . . B 1734 SER H . 19610 1 576 . 2 . 2 14 14 SER HA H 1 4.209 0.050 . . . . . . B 1734 SER HA . 19610 1 577 . 2 . 2 14 14 SER HB3 H 1 3.952 0.050 . . . . . . B 1734 SER HB3 . 19610 1 578 . 2 . 2 14 14 SER C C 13 176.798 0.500 . . . . . . B 1734 SER C . 19610 1 579 . 2 . 2 14 14 SER CA C 13 61.046 0.500 . . . . . . B 1734 SER CA . 19610 1 580 . 2 . 2 14 14 SER CB C 13 63.121 0.500 . . . . . . B 1734 SER CB . 19610 1 581 . 2 . 2 14 14 SER N N 15 115.999 0.500 . . . . . . B 1734 SER N . 19610 1 582 . 2 . 2 15 15 ILE H H 1 8.145 0.050 . . . . . . B 1735 ILE H . 19610 1 583 . 2 . 2 15 15 ILE HA H 1 3.572 0.050 . . . . . . B 1735 ILE HA . 19610 1 584 . 2 . 2 15 15 ILE HB H 1 1.712 0.050 . . . . . . B 1735 ILE HB . 19610 1 585 . 2 . 2 15 15 ILE HG12 H 1 1.490 0.050 . . . . . . B 1735 ILE HG12 . 19610 1 586 . 2 . 2 15 15 ILE HG13 H 1 0.703 0.050 . . . . . . B 1735 ILE HG13 . 19610 1 587 . 2 . 2 15 15 ILE HG21 H 1 0.532 0.050 . . . . . . B 1735 ILE HG21 . 19610 1 588 . 2 . 2 15 15 ILE HG22 H 1 0.532 0.050 . . . . . . B 1735 ILE HG22 . 19610 1 589 . 2 . 2 15 15 ILE HG23 H 1 0.532 0.050 . . . . . . B 1735 ILE HG23 . 19610 1 590 . 2 . 2 15 15 ILE HD11 H 1 0.499 0.050 . . . . . . B 1735 ILE HD11 . 19610 1 591 . 2 . 2 15 15 ILE HD12 H 1 0.499 0.050 . . . . . . B 1735 ILE HD12 . 19610 1 592 . 2 . 2 15 15 ILE HD13 H 1 0.499 0.050 . . . . . . B 1735 ILE HD13 . 19610 1 593 . 2 . 2 15 15 ILE C C 13 177.172 0.500 . . . . . . B 1735 ILE C . 19610 1 594 . 2 . 2 15 15 ILE CA C 13 65.104 0.500 . . . . . . B 1735 ILE CA . 19610 1 595 . 2 . 2 15 15 ILE CB C 13 37.771 0.500 . . . . . . B 1735 ILE CB . 19610 1 596 . 2 . 2 15 15 ILE CG1 C 13 29.411 0.500 . . . . . . B 1735 ILE CG1 . 19610 1 597 . 2 . 2 15 15 ILE CG2 C 13 17.196 0.500 . . . . . . B 1735 ILE CG2 . 19610 1 598 . 2 . 2 15 15 ILE CD1 C 13 13.405 0.500 . . . . . . B 1735 ILE CD1 . 19610 1 599 . 2 . 2 15 15 ILE N N 15 123.602 0.500 . . . . . . B 1735 ILE N . 19610 1 600 . 2 . 2 16 16 GLN H H 1 8.156 0.050 . . . . . . B 1736 GLN H . 19610 1 601 . 2 . 2 16 16 GLN HA H 1 3.946 0.050 . . . . . . B 1736 GLN HA . 19610 1 602 . 2 . 2 16 16 GLN HB3 H 1 2.111 0.050 . . . . . . B 1736 GLN HB3 . 19610 1 603 . 2 . 2 16 16 GLN HG2 H 1 2.470 0.050 . . . . . . B 1736 GLN HG2 . 19610 1 604 . 2 . 2 16 16 GLN HG3 H 1 2.379 0.050 . . . . . . B 1736 GLN HG3 . 19610 1 605 . 2 . 2 16 16 GLN HE21 H 1 7.474 0.050 . . . . . . B 1736 GLN HE21 . 19610 1 606 . 2 . 2 16 16 GLN HE22 H 1 6.851 0.050 . . . . . . B 1736 GLN HE22 . 19610 1 607 . 2 . 2 16 16 GLN C C 13 179.097 0.500 . . . . . . B 1736 GLN C . 19610 1 608 . 2 . 2 16 16 GLN CA C 13 59.208 0.500 . . . . . . B 1736 GLN CA . 19610 1 609 . 2 . 2 16 16 GLN CB C 13 28.129 0.500 . . . . . . B 1736 GLN CB . 19610 1 610 . 2 . 2 16 16 GLN CG C 13 34.063 0.500 . . . . . . B 1736 GLN CG . 19610 1 611 . 2 . 2 16 16 GLN N N 15 118.797 0.500 . . . . . . B 1736 GLN N . 19610 1 612 . 2 . 2 16 16 GLN NE2 N 15 111.164 0.500 . . . . . . B 1736 GLN NE2 . 19610 1 613 . 2 . 2 17 17 ARG H H 1 8.200 0.050 . . . . . . B 1737 ARG H . 19610 1 614 . 2 . 2 17 17 ARG HA H 1 4.079 0.050 . . . . . . B 1737 ARG HA . 19610 1 615 . 2 . 2 17 17 ARG HB2 H 1 1.897 0.050 . . . . . . B 1737 ARG HB2 . 19610 1 616 . 2 . 2 17 17 ARG HG2 H 1 1.824 0.050 . . . . . . B 1737 ARG HG2 . 19610 1 617 . 2 . 2 17 17 ARG HG3 H 1 1.622 0.050 . . . . . . B 1737 ARG HG3 . 19610 1 618 . 2 . 2 17 17 ARG HD2 H 1 3.172 0.050 . . . . . . B 1737 ARG HD2 . 19610 1 619 . 2 . 2 17 17 ARG C C 13 178.999 0.500 . . . . . . B 1737 ARG C . 19610 1 620 . 2 . 2 17 17 ARG CA C 13 59.248 0.500 . . . . . . B 1737 ARG CA . 19610 1 621 . 2 . 2 17 17 ARG CB C 13 30.214 0.500 . . . . . . B 1737 ARG CB . 19610 1 622 . 2 . 2 17 17 ARG CG C 13 27.902 0.500 . . . . . . B 1737 ARG CG . 19610 1 623 . 2 . 2 17 17 ARG CD C 13 43.440 0.500 . . . . . . B 1737 ARG CD . 19610 1 624 . 2 . 2 17 17 ARG N N 15 118.896 0.500 . . . . . . B 1737 ARG N . 19610 1 625 . 2 . 2 18 18 ALA H H 1 8.080 0.050 . . . . . . B 1738 ALA H . 19610 1 626 . 2 . 2 18 18 ALA HA H 1 4.003 0.050 . . . . . . B 1738 ALA HA . 19610 1 627 . 2 . 2 18 18 ALA HB1 H 1 1.429 0.050 . . . . . . B 1738 ALA HB1 . 19610 1 628 . 2 . 2 18 18 ALA HB2 H 1 1.429 0.050 . . . . . . B 1738 ALA HB2 . 19610 1 629 . 2 . 2 18 18 ALA HB3 H 1 1.429 0.050 . . . . . . B 1738 ALA HB3 . 19610 1 630 . 2 . 2 18 18 ALA C C 13 179.794 0.500 . . . . . . B 1738 ALA C . 19610 1 631 . 2 . 2 18 18 ALA CA C 13 55.364 0.500 . . . . . . B 1738 ALA CA . 19610 1 632 . 2 . 2 18 18 ALA CB C 13 18.564 0.500 . . . . . . B 1738 ALA CB . 19610 1 633 . 2 . 2 18 18 ALA N N 15 123.938 0.500 . . . . . . B 1738 ALA N . 19610 1 634 . 2 . 2 19 19 ILE H H 1 8.542 0.050 . . . . . . B 1739 ILE H . 19610 1 635 . 2 . 2 19 19 ILE HA H 1 3.627 0.050 . . . . . . B 1739 ILE HA . 19610 1 636 . 2 . 2 19 19 ILE HB H 1 2.079 0.050 . . . . . . B 1739 ILE HB . 19610 1 637 . 2 . 2 19 19 ILE HG12 H 1 1.190 0.050 . . . . . . B 1739 ILE HG12 . 19610 1 638 . 2 . 2 19 19 ILE HG13 H 1 1.877 0.050 . . . . . . B 1739 ILE HG13 . 19610 1 639 . 2 . 2 19 19 ILE HG21 H 1 1.016 0.050 . . . . . . B 1739 ILE HG21 . 19610 1 640 . 2 . 2 19 19 ILE HG22 H 1 1.016 0.050 . . . . . . B 1739 ILE HG22 . 19610 1 641 . 2 . 2 19 19 ILE HG23 H 1 1.016 0.050 . . . . . . B 1739 ILE HG23 . 19610 1 642 . 2 . 2 19 19 ILE HD11 H 1 0.905 0.050 . . . . . . B 1739 ILE HD11 . 19610 1 643 . 2 . 2 19 19 ILE HD12 H 1 0.905 0.050 . . . . . . B 1739 ILE HD12 . 19610 1 644 . 2 . 2 19 19 ILE HD13 H 1 0.905 0.050 . . . . . . B 1739 ILE HD13 . 19610 1 645 . 2 . 2 19 19 ILE C C 13 177.692 0.500 . . . . . . B 1739 ILE C . 19610 1 646 . 2 . 2 19 19 ILE CA C 13 65.149 0.500 . . . . . . B 1739 ILE CA . 19610 1 647 . 2 . 2 19 19 ILE CB C 13 37.416 0.500 . . . . . . B 1739 ILE CB . 19610 1 648 . 2 . 2 19 19 ILE CG1 C 13 29.494 0.500 . . . . . . B 1739 ILE CG1 . 19610 1 649 . 2 . 2 19 19 ILE CG2 C 13 18.288 0.500 . . . . . . B 1739 ILE CG2 . 19610 1 650 . 2 . 2 19 19 ILE CD1 C 13 14.180 0.500 . . . . . . B 1739 ILE CD1 . 19610 1 651 . 2 . 2 19 19 ILE N N 15 118.218 0.500 . . . . . . B 1739 ILE N . 19610 1 652 . 2 . 2 20 20 GLN H H 1 8.189 0.050 . . . . . . B 1740 GLN H . 19610 1 653 . 2 . 2 20 20 GLN HA H 1 4.011 0.050 . . . . . . B 1740 GLN HA . 19610 1 654 . 2 . 2 20 20 GLN HB2 H 1 2.123 0.050 . . . . . . B 1740 GLN HB2 . 19610 1 655 . 2 . 2 20 20 GLN HB3 H 1 2.237 0.050 . . . . . . B 1740 GLN HB3 . 19610 1 656 . 2 . 2 20 20 GLN HG2 H 1 2.575 0.050 . . . . . . B 1740 GLN HG2 . 19610 1 657 . 2 . 2 20 20 GLN HG3 H 1 2.437 0.050 . . . . . . B 1740 GLN HG3 . 19610 1 658 . 2 . 2 20 20 GLN HE21 H 1 6.880 0.050 . . . . . . B 1740 GLN HE21 . 19610 1 659 . 2 . 2 20 20 GLN HE22 H 1 7.540 0.050 . . . . . . B 1740 GLN HE22 . 19610 1 660 . 2 . 2 20 20 GLN C C 13 179.611 0.500 . . . . . . B 1740 GLN C . 19610 1 661 . 2 . 2 20 20 GLN CA C 13 59.263 0.500 . . . . . . B 1740 GLN CA . 19610 1 662 . 2 . 2 20 20 GLN CB C 13 28.088 0.500 . . . . . . B 1740 GLN CB . 19610 1 663 . 2 . 2 20 20 GLN CG C 13 34.107 0.500 . . . . . . B 1740 GLN CG . 19610 1 664 . 2 . 2 20 20 GLN N N 15 118.665 0.500 . . . . . . B 1740 GLN N . 19610 1 665 . 2 . 2 20 20 GLN NE2 N 15 111.370 0.500 . . . . . . B 1740 GLN NE2 . 19610 1 666 . 2 . 2 21 21 SER H H 1 8.149 0.050 . . . . . . B 1741 SER H . 19610 1 667 . 2 . 2 21 21 SER HA H 1 4.313 0.050 . . . . . . B 1741 SER HA . 19610 1 668 . 2 . 2 21 21 SER HB3 H 1 3.896 0.050 . . . . . . B 1741 SER HB3 . 19610 1 669 . 2 . 2 21 21 SER C C 13 176.141 0.500 . . . . . . B 1741 SER C . 19610 1 670 . 2 . 2 21 21 SER CA C 13 61.888 0.500 . . . . . . B 1741 SER CA . 19610 1 671 . 2 . 2 21 21 SER CB C 13 63.019 0.500 . . . . . . B 1741 SER CB . 19610 1 672 . 2 . 2 21 21 SER N N 15 116.063 0.500 . . . . . . B 1741 SER N . 19610 1 673 . 2 . 2 22 22 LEU H H 1 8.243 0.050 . . . . . . B 1742 LEU H . 19610 1 674 . 2 . 2 22 22 LEU HA H 1 4.005 0.050 . . . . . . B 1742 LEU HA . 19610 1 675 . 2 . 2 22 22 LEU HB2 H 1 2.017 0.050 . . . . . . B 1742 LEU HB2 . 19610 1 676 . 2 . 2 22 22 LEU HB3 H 1 1.646 0.050 . . . . . . B 1742 LEU HB3 . 19610 1 677 . 2 . 2 22 22 LEU HG H 1 1.487 0.050 . . . . . . B 1742 LEU HG . 19610 1 678 . 2 . 2 22 22 LEU HD11 H 1 0.805 0.050 . . . . . . B 1742 LEU HD11 . 19610 1 679 . 2 . 2 22 22 LEU HD12 H 1 0.805 0.050 . . . . . . B 1742 LEU HD12 . 19610 1 680 . 2 . 2 22 22 LEU HD13 H 1 0.805 0.050 . . . . . . B 1742 LEU HD13 . 19610 1 681 . 2 . 2 22 22 LEU HD21 H 1 0.881 0.050 . . . . . . B 1742 LEU HD21 . 19610 1 682 . 2 . 2 22 22 LEU HD22 H 1 0.881 0.050 . . . . . . B 1742 LEU HD22 . 19610 1 683 . 2 . 2 22 22 LEU HD23 H 1 0.881 0.050 . . . . . . B 1742 LEU HD23 . 19610 1 684 . 2 . 2 22 22 LEU C C 13 177.071 0.500 . . . . . . B 1742 LEU C . 19610 1 685 . 2 . 2 22 22 LEU CA C 13 58.646 0.500 . . . . . . B 1742 LEU CA . 19610 1 686 . 2 . 2 22 22 LEU CB C 13 42.242 0.500 . . . . . . B 1742 LEU CB . 19610 1 687 . 2 . 2 22 22 LEU CG C 13 27.351 0.500 . . . . . . B 1742 LEU CG . 19610 1 688 . 2 . 2 22 22 LEU CD1 C 13 25.845 0.500 . . . . . . B 1742 LEU CD1 . 19610 1 689 . 2 . 2 22 22 LEU CD2 C 13 23.597 0.500 . . . . . . B 1742 LEU CD2 . 19610 1 690 . 2 . 2 22 22 LEU N N 15 125.303 0.500 . . . . . . B 1742 LEU N . 19610 1 691 . 2 . 2 23 23 VAL H H 1 8.539 0.050 . . . . . . B 1743 VAL H . 19610 1 692 . 2 . 2 23 23 VAL HA H 1 3.240 0.050 . . . . . . B 1743 VAL HA . 19610 1 693 . 2 . 2 23 23 VAL HB H 1 2.049 0.050 . . . . . . B 1743 VAL HB . 19610 1 694 . 2 . 2 23 23 VAL HG11 H 1 0.871 0.050 . . . . . . B 1743 VAL HG11 . 19610 1 695 . 2 . 2 23 23 VAL HG12 H 1 0.871 0.050 . . . . . . B 1743 VAL HG12 . 19610 1 696 . 2 . 2 23 23 VAL HG13 H 1 0.871 0.050 . . . . . . B 1743 VAL HG13 . 19610 1 697 . 2 . 2 23 23 VAL HG21 H 1 0.890 0.050 . . . . . . B 1743 VAL HG21 . 19610 1 698 . 2 . 2 23 23 VAL HG22 H 1 0.890 0.050 . . . . . . B 1743 VAL HG22 . 19610 1 699 . 2 . 2 23 23 VAL HG23 H 1 0.890 0.050 . . . . . . B 1743 VAL HG23 . 19610 1 700 . 2 . 2 23 23 VAL C C 13 178.389 0.500 . . . . . . B 1743 VAL C . 19610 1 701 . 2 . 2 23 23 VAL CA C 13 66.828 0.500 . . . . . . B 1743 VAL CA . 19610 1 702 . 2 . 2 23 23 VAL CB C 13 31.785 0.500 . . . . . . B 1743 VAL CB . 19610 1 703 . 2 . 2 23 23 VAL CG1 C 13 20.991 0.500 . . . . . . B 1743 VAL CG1 . 19610 1 704 . 2 . 2 23 23 VAL CG2 C 13 23.506 0.500 . . . . . . B 1743 VAL CG2 . 19610 1 705 . 2 . 2 23 23 VAL N N 15 118.472 0.500 . . . . . . B 1743 VAL N . 19610 1 706 . 2 . 2 24 24 HIS H H 1 7.954 0.050 . . . . . . B 1744 HIS H . 19610 1 707 . 2 . 2 24 24 HIS HA H 1 4.170 0.050 . . . . . . B 1744 HIS HA . 19610 1 708 . 2 . 2 24 24 HIS HB2 H 1 3.277 0.050 . . . . . . B 1744 HIS HB2 . 19610 1 709 . 2 . 2 24 24 HIS HB3 H 1 3.226 0.050 . . . . . . B 1744 HIS HB3 . 19610 1 710 . 2 . 2 24 24 HIS HD2 H 1 7.261 0.050 . . . . . . B 1744 HIS HD2 . 19610 1 711 . 2 . 2 24 24 HIS HE1 H 1 7.905 0.050 . . . . . . B 1744 HIS HE1 . 19610 1 712 . 2 . 2 24 24 HIS C C 13 178.040 0.500 . . . . . . B 1744 HIS C . 19610 1 713 . 2 . 2 24 24 HIS CA C 13 60.099 0.500 . . . . . . B 1744 HIS CA . 19610 1 714 . 2 . 2 24 24 HIS CB C 13 27.741 0.500 . . . . . . B 1744 HIS CB . 19610 1 715 . 2 . 2 24 24 HIS CD2 C 13 129.228 0.500 . . . . . . B 1744 HIS CD2 . 19610 1 716 . 2 . 2 24 24 HIS CE1 C 13 139.276 0.500 . . . . . . B 1744 HIS CE1 . 19610 1 717 . 2 . 2 24 24 HIS N N 15 115.703 0.500 . . . . . . B 1744 HIS N . 19610 1 718 . 2 . 2 25 25 ALA H H 1 8.633 0.050 . . . . . . B 1745 ALA H . 19610 1 719 . 2 . 2 25 25 ALA HA H 1 4.089 0.050 . . . . . . B 1745 ALA HA . 19610 1 720 . 2 . 2 25 25 ALA HB1 H 1 1.516 0.050 . . . . . . B 1745 ALA HB1 . 19610 1 721 . 2 . 2 25 25 ALA HB2 H 1 1.516 0.050 . . . . . . B 1745 ALA HB2 . 19610 1 722 . 2 . 2 25 25 ALA HB3 H 1 1.516 0.050 . . . . . . B 1745 ALA HB3 . 19610 1 723 . 2 . 2 25 25 ALA C C 13 179.146 0.500 . . . . . . B 1745 ALA C . 19610 1 724 . 2 . 2 25 25 ALA CA C 13 55.127 0.500 . . . . . . B 1745 ALA CA . 19610 1 725 . 2 . 2 25 25 ALA CB C 13 19.627 0.500 . . . . . . B 1745 ALA CB . 19610 1 726 . 2 . 2 25 25 ALA N N 15 121.279 0.500 . . . . . . B 1745 ALA N . 19610 1 727 . 2 . 2 26 26 ALA H H 1 8.215 0.050 . . . . . . B 1746 ALA H . 19610 1 728 . 2 . 2 26 26 ALA HA H 1 4.011 0.050 . . . . . . B 1746 ALA HA . 19610 1 729 . 2 . 2 26 26 ALA HB1 H 1 1.347 0.050 . . . . . . B 1746 ALA HB1 . 19610 1 730 . 2 . 2 26 26 ALA HB2 H 1 1.347 0.050 . . . . . . B 1746 ALA HB2 . 19610 1 731 . 2 . 2 26 26 ALA HB3 H 1 1.347 0.050 . . . . . . B 1746 ALA HB3 . 19610 1 732 . 2 . 2 26 26 ALA C C 13 177.428 0.500 . . . . . . B 1746 ALA C . 19610 1 733 . 2 . 2 26 26 ALA CA C 13 53.987 0.500 . . . . . . B 1746 ALA CA . 19610 1 734 . 2 . 2 26 26 ALA CB C 13 18.516 0.500 . . . . . . B 1746 ALA CB . 19610 1 735 . 2 . 2 26 26 ALA N N 15 116.453 0.500 . . . . . . B 1746 ALA N . 19610 1 736 . 2 . 2 27 27 GLN H H 1 7.181 0.050 . . . . . . B 1747 GLN H . 19610 1 737 . 2 . 2 27 27 GLN HA H 1 4.454 0.050 . . . . . . B 1747 GLN HA . 19610 1 738 . 2 . 2 27 27 GLN HB2 H 1 1.944 0.050 . . . . . . B 1747 GLN HB2 . 19610 1 739 . 2 . 2 27 27 GLN HB3 H 1 2.145 0.050 . . . . . . B 1747 GLN HB3 . 19610 1 740 . 2 . 2 27 27 GLN HG2 H 1 2.468 0.050 . . . . . . B 1747 GLN HG2 . 19610 1 741 . 2 . 2 27 27 GLN HG3 H 1 2.228 0.050 . . . . . . B 1747 GLN HG3 . 19610 1 742 . 2 . 2 27 27 GLN HE21 H 1 7.030 0.050 . . . . . . B 1747 GLN HE21 . 19610 1 743 . 2 . 2 27 27 GLN HE22 H 1 7.414 0.050 . . . . . . B 1747 GLN HE22 . 19610 1 744 . 2 . 2 27 27 GLN C C 13 174.186 0.500 . . . . . . B 1747 GLN C . 19610 1 745 . 2 . 2 27 27 GLN CA C 13 54.426 0.500 . . . . . . B 1747 GLN CA . 19610 1 746 . 2 . 2 27 27 GLN CB C 13 30.582 0.500 . . . . . . B 1747 GLN CB . 19610 1 747 . 2 . 2 27 27 GLN CG C 13 33.282 0.500 . . . . . . B 1747 GLN CG . 19610 1 748 . 2 . 2 27 27 GLN N N 15 111.630 0.500 . . . . . . B 1747 GLN N . 19610 1 749 . 2 . 2 27 27 GLN NE2 N 15 112.788 0.500 . . . . . . B 1747 GLN NE2 . 19610 1 750 . 2 . 2 28 28 CYS H H 1 7.232 0.050 . . . . . . B 1748 CYS H . 19610 1 751 . 2 . 2 28 28 CYS HA H 1 3.833 0.050 . . . . . . B 1748 CYS HA . 19610 1 752 . 2 . 2 28 28 CYS HB2 H 1 2.498 0.050 . . . . . . B 1748 CYS HB2 . 19610 1 753 . 2 . 2 28 28 CYS HB3 H 1 1.994 0.050 . . . . . . B 1748 CYS HB3 . 19610 1 754 . 2 . 2 28 28 CYS C C 13 176.070 0.500 . . . . . . B 1748 CYS C . 19610 1 755 . 2 . 2 28 28 CYS CA C 13 60.708 0.500 . . . . . . B 1748 CYS CA . 19610 1 756 . 2 . 2 28 28 CYS CB C 13 29.139 0.500 . . . . . . B 1748 CYS CB . 19610 1 757 . 2 . 2 28 28 CYS N N 15 124.365 0.500 . . . . . . B 1748 CYS N . 19610 1 758 . 2 . 2 29 29 ARG H H 1 8.936 0.050 . . . . . . B 1749 ARG H . 19610 1 759 . 2 . 2 29 29 ARG HA H 1 4.548 0.050 . . . . . . B 1749 ARG HA . 19610 1 760 . 2 . 2 29 29 ARG HB2 H 1 2.101 0.050 . . . . . . B 1749 ARG HB2 . 19610 1 761 . 2 . 2 29 29 ARG HG2 H 1 1.526 0.050 . . . . . . B 1749 ARG HG2 . 19610 1 762 . 2 . 2 29 29 ARG HG3 H 1 1.620 0.050 . . . . . . B 1749 ARG HG3 . 19610 1 763 . 2 . 2 29 29 ARG HD2 H 1 3.128 0.050 . . . . . . B 1749 ARG HD2 . 19610 1 764 . 2 . 2 29 29 ARG C C 13 175.039 0.500 . . . . . . B 1749 ARG C . 19610 1 765 . 2 . 2 29 29 ARG CA C 13 54.583 0.500 . . . . . . B 1749 ARG CA . 19610 1 766 . 2 . 2 29 29 ARG CB C 13 29.987 0.500 . . . . . . B 1749 ARG CB . 19610 1 767 . 2 . 2 29 29 ARG CG C 13 26.826 0.500 . . . . . . B 1749 ARG CG . 19610 1 768 . 2 . 2 29 29 ARG CD C 13 43.102 0.500 . . . . . . B 1749 ARG CD . 19610 1 769 . 2 . 2 29 29 ARG N N 15 129.540 0.500 . . . . . . B 1749 ARG N . 19610 1 770 . 2 . 2 30 30 ASN H H 1 7.846 0.050 . . . . . . B 1750 ASN H . 19610 1 771 . 2 . 2 30 30 ASN HA H 1 4.804 0.050 . . . . . . B 1750 ASN HA . 19610 1 772 . 2 . 2 30 30 ASN HB2 H 1 2.812 0.050 . . . . . . B 1750 ASN HB2 . 19610 1 773 . 2 . 2 30 30 ASN HB3 H 1 2.932 0.050 . . . . . . B 1750 ASN HB3 . 19610 1 774 . 2 . 2 30 30 ASN HD21 H 1 7.892 0.050 . . . . . . B 1750 ASN HD21 . 19610 1 775 . 2 . 2 30 30 ASN HD22 H 1 7.074 0.050 . . . . . . B 1750 ASN HD22 . 19610 1 776 . 2 . 2 30 30 ASN C C 13 175.646 0.500 . . . . . . B 1750 ASN C . 19610 1 777 . 2 . 2 30 30 ASN CA C 13 51.698 0.500 . . . . . . B 1750 ASN CA . 19610 1 778 . 2 . 2 30 30 ASN CB C 13 38.897 0.500 . . . . . . B 1750 ASN CB . 19610 1 779 . 2 . 2 30 30 ASN N N 15 120.185 0.500 . . . . . . B 1750 ASN N . 19610 1 780 . 2 . 2 30 30 ASN ND2 N 15 111.410 0.500 . . . . . . B 1750 ASN ND2 . 19610 1 781 . 2 . 2 31 31 ALA H H 1 9.234 0.050 . . . . . . B 1751 ALA H . 19610 1 782 . 2 . 2 31 31 ALA HA H 1 4.028 0.050 . . . . . . B 1751 ALA HA . 19610 1 783 . 2 . 2 31 31 ALA HB1 H 1 1.383 0.050 . . . . . . B 1751 ALA HB1 . 19610 1 784 . 2 . 2 31 31 ALA HB2 H 1 1.383 0.050 . . . . . . B 1751 ALA HB2 . 19610 1 785 . 2 . 2 31 31 ALA HB3 H 1 1.383 0.050 . . . . . . B 1751 ALA HB3 . 19610 1 786 . 2 . 2 31 31 ALA C C 13 177.992 0.500 . . . . . . B 1751 ALA C . 19610 1 787 . 2 . 2 31 31 ALA CA C 13 54.345 0.500 . . . . . . B 1751 ALA CA . 19610 1 788 . 2 . 2 31 31 ALA CB C 13 18.377 0.500 . . . . . . B 1751 ALA CB . 19610 1 789 . 2 . 2 31 31 ALA N N 15 130.301 0.500 . . . . . . B 1751 ALA N . 19610 1 790 . 2 . 2 32 32 ASN H H 1 8.044 0.050 . . . . . . B 1752 ASN H . 19610 1 791 . 2 . 2 32 32 ASN HA H 1 4.808 0.050 . . . . . . B 1752 ASN HA . 19610 1 792 . 2 . 2 32 32 ASN HB2 H 1 2.913 0.050 . . . . . . B 1752 ASN HB2 . 19610 1 793 . 2 . 2 32 32 ASN HB3 H 1 2.558 0.050 . . . . . . B 1752 ASN HB3 . 19610 1 794 . 2 . 2 32 32 ASN HD21 H 1 6.945 0.050 . . . . . . B 1752 ASN HD21 . 19610 1 795 . 2 . 2 32 32 ASN HD22 H 1 7.690 0.050 . . . . . . B 1752 ASN HD22 . 19610 1 796 . 2 . 2 32 32 ASN C C 13 173.990 0.500 . . . . . . B 1752 ASN C . 19610 1 797 . 2 . 2 32 32 ASN CA C 13 51.836 0.500 . . . . . . B 1752 ASN CA . 19610 1 798 . 2 . 2 32 32 ASN CB C 13 38.793 0.500 . . . . . . B 1752 ASN CB . 19610 1 799 . 2 . 2 32 32 ASN N N 15 113.888 0.500 . . . . . . B 1752 ASN N . 19610 1 800 . 2 . 2 32 32 ASN ND2 N 15 113.372 0.500 . . . . . . B 1752 ASN ND2 . 19610 1 801 . 2 . 2 33 33 CYS H H 1 7.131 0.050 . . . . . . B 1753 CYS H . 19610 1 802 . 2 . 2 33 33 CYS HA H 1 3.981 0.050 . . . . . . B 1753 CYS HA . 19610 1 803 . 2 . 2 33 33 CYS HB2 H 1 2.944 0.050 . . . . . . B 1753 CYS HB2 . 19610 1 804 . 2 . 2 33 33 CYS HB3 H 1 2.988 0.050 . . . . . . B 1753 CYS HB3 . 19610 1 805 . 2 . 2 33 33 CYS C C 13 176.814 0.500 . . . . . . B 1753 CYS C . 19610 1 806 . 2 . 2 33 33 CYS CA C 13 61.655 0.500 . . . . . . B 1753 CYS CA . 19610 1 807 . 2 . 2 33 33 CYS CB C 13 29.971 0.500 . . . . . . B 1753 CYS CB . 19610 1 808 . 2 . 2 33 33 CYS N N 15 123.125 0.500 . . . . . . B 1753 CYS N . 19610 1 809 . 2 . 2 34 34 SER H H 1 8.889 0.050 . . . . . . B 1754 SER H . 19610 1 810 . 2 . 2 34 34 SER HA H 1 4.559 0.050 . . . . . . B 1754 SER HA . 19610 1 811 . 2 . 2 34 34 SER HB2 H 1 3.811 0.050 . . . . . . B 1754 SER HB2 . 19610 1 812 . 2 . 2 34 34 SER HB3 H 1 4.084 0.050 . . . . . . B 1754 SER HB3 . 19610 1 813 . 2 . 2 34 34 SER C C 13 174.727 0.500 . . . . . . B 1754 SER C . 19610 1 814 . 2 . 2 34 34 SER CA C 13 57.852 0.500 . . . . . . B 1754 SER CA . 19610 1 815 . 2 . 2 34 34 SER CB C 13 63.957 0.500 . . . . . . B 1754 SER CB . 19610 1 816 . 2 . 2 34 34 SER N N 15 124.513 0.500 . . . . . . B 1754 SER N . 19610 1 817 . 2 . 2 35 35 LEU H H 1 8.551 0.050 . . . . . . B 1755 LEU H . 19610 1 818 . 2 . 2 35 35 LEU HA H 1 4.441 0.050 . . . . . . B 1755 LEU HA . 19610 1 819 . 2 . 2 35 35 LEU HB2 H 1 1.551 0.050 . . . . . . B 1755 LEU HB2 . 19610 1 820 . 2 . 2 35 35 LEU HB3 H 1 1.343 0.050 . . . . . . B 1755 LEU HB3 . 19610 1 821 . 2 . 2 35 35 LEU HG H 1 1.557 0.050 . . . . . . B 1755 LEU HG . 19610 1 822 . 2 . 2 35 35 LEU HD11 H 1 0.493 0.050 . . . . . . B 1755 LEU HD11 . 19610 1 823 . 2 . 2 35 35 LEU HD12 H 1 0.493 0.050 . . . . . . B 1755 LEU HD12 . 19610 1 824 . 2 . 2 35 35 LEU HD13 H 1 0.493 0.050 . . . . . . B 1755 LEU HD13 . 19610 1 825 . 2 . 2 35 35 LEU HD21 H 1 0.557 0.050 . . . . . . B 1755 LEU HD21 . 19610 1 826 . 2 . 2 35 35 LEU HD22 H 1 0.557 0.050 . . . . . . B 1755 LEU HD22 . 19610 1 827 . 2 . 2 35 35 LEU HD23 H 1 0.557 0.050 . . . . . . B 1755 LEU HD23 . 19610 1 828 . 2 . 2 35 35 LEU CA C 13 54.354 0.500 . . . . . . B 1755 LEU CA . 19610 1 829 . 2 . 2 35 35 LEU CB C 13 40.675 0.500 . . . . . . B 1755 LEU CB . 19610 1 830 . 2 . 2 35 35 LEU CG C 13 27.286 0.500 . . . . . . B 1755 LEU CG . 19610 1 831 . 2 . 2 35 35 LEU CD1 C 13 24.274 0.500 . . . . . . B 1755 LEU CD1 . 19610 1 832 . 2 . 2 35 35 LEU CD2 C 13 23.032 0.500 . . . . . . B 1755 LEU CD2 . 19610 1 833 . 2 . 2 35 35 LEU N N 15 128.963 0.500 . . . . . . B 1755 LEU N . 19610 1 834 . 2 . 2 36 36 PRO HA H 1 4.278 0.050 . . . . . . B 1756 PRO HA . 19610 1 835 . 2 . 2 36 36 PRO HB2 H 1 2.339 0.050 . . . . . . B 1756 PRO HB2 . 19610 1 836 . 2 . 2 36 36 PRO HB3 H 1 1.930 0.050 . . . . . . B 1756 PRO HB3 . 19610 1 837 . 2 . 2 36 36 PRO HG2 H 1 2.121 0.050 . . . . . . B 1756 PRO HG2 . 19610 1 838 . 2 . 2 36 36 PRO HG3 H 1 2.022 0.050 . . . . . . B 1756 PRO HG3 . 19610 1 839 . 2 . 2 36 36 PRO HD2 H 1 3.681 0.050 . . . . . . B 1756 PRO HD2 . 19610 1 840 . 2 . 2 36 36 PRO HD3 H 1 4.143 0.050 . . . . . . B 1756 PRO HD3 . 19610 1 841 . 2 . 2 36 36 PRO C C 13 178.194 0.500 . . . . . . B 1756 PRO C . 19610 1 842 . 2 . 2 36 36 PRO CA C 13 65.208 0.500 . . . . . . B 1756 PRO CA . 19610 1 843 . 2 . 2 36 36 PRO CB C 13 31.918 0.500 . . . . . . B 1756 PRO CB . 19610 1 844 . 2 . 2 36 36 PRO CG C 13 27.785 0.500 . . . . . . B 1756 PRO CG . 19610 1 845 . 2 . 2 36 36 PRO CD C 13 50.934 0.500 . . . . . . B 1756 PRO CD . 19610 1 846 . 2 . 2 37 37 SER H H 1 8.474 0.050 . . . . . . B 1757 SER H . 19610 1 847 . 2 . 2 37 37 SER HA H 1 4.258 0.050 . . . . . . B 1757 SER HA . 19610 1 848 . 2 . 2 37 37 SER HB3 H 1 3.930 0.050 . . . . . . B 1757 SER HB3 . 19610 1 849 . 2 . 2 37 37 SER C C 13 173.910 0.500 . . . . . . B 1757 SER C . 19610 1 850 . 2 . 2 37 37 SER CA C 13 60.626 0.500 . . . . . . B 1757 SER CA . 19610 1 851 . 2 . 2 37 37 SER CB C 13 63.061 0.500 . . . . . . B 1757 SER CB . 19610 1 852 . 2 . 2 37 37 SER N N 15 112.311 0.500 . . . . . . B 1757 SER N . 19610 1 853 . 2 . 2 38 38 CYS H H 1 7.521 0.050 . . . . . . B 1758 CYS H . 19610 1 854 . 2 . 2 38 38 CYS HA H 1 4.186 0.050 . . . . . . B 1758 CYS HA . 19610 1 855 . 2 . 2 38 38 CYS HB2 H 1 2.719 0.050 . . . . . . B 1758 CYS HB2 . 19610 1 856 . 2 . 2 38 38 CYS HB3 H 1 3.139 0.050 . . . . . . B 1758 CYS HB3 . 19610 1 857 . 2 . 2 38 38 CYS C C 13 176.434 0.500 . . . . . . B 1758 CYS C . 19610 1 858 . 2 . 2 38 38 CYS CA C 13 63.981 0.500 . . . . . . B 1758 CYS CA . 19610 1 859 . 2 . 2 38 38 CYS CB C 13 29.588 0.500 . . . . . . B 1758 CYS CB . 19610 1 860 . 2 . 2 38 38 CYS N N 15 125.441 0.500 . . . . . . B 1758 CYS N . 19610 1 861 . 2 . 2 39 39 GLN H H 1 8.245 0.050 . . . . . . B 1759 GLN H . 19610 1 862 . 2 . 2 39 39 GLN HA H 1 3.919 0.050 . . . . . . B 1759 GLN HA . 19610 1 863 . 2 . 2 39 39 GLN HB2 H 1 2.076 0.050 . . . . . . B 1759 GLN HB2 . 19610 1 864 . 2 . 2 39 39 GLN HB3 H 1 2.125 0.050 . . . . . . B 1759 GLN HB3 . 19610 1 865 . 2 . 2 39 39 GLN HG2 H 1 2.503 0.050 . . . . . . B 1759 GLN HG2 . 19610 1 866 . 2 . 2 39 39 GLN HG3 H 1 2.394 0.050 . . . . . . B 1759 GLN HG3 . 19610 1 867 . 2 . 2 39 39 GLN HE21 H 1 6.919 0.050 . . . . . . B 1759 GLN HE21 . 19610 1 868 . 2 . 2 39 39 GLN HE22 H 1 7.579 0.050 . . . . . . B 1759 GLN HE22 . 19610 1 869 . 2 . 2 39 39 GLN C C 13 179.440 0.500 . . . . . . B 1759 GLN C . 19610 1 870 . 2 . 2 39 39 GLN CA C 13 59.864 0.500 . . . . . . B 1759 GLN CA . 19610 1 871 . 2 . 2 39 39 GLN CB C 13 28.114 0.500 . . . . . . B 1759 GLN CB . 19610 1 872 . 2 . 2 39 39 GLN CG C 13 34.071 0.500 . . . . . . B 1759 GLN CG . 19610 1 873 . 2 . 2 39 39 GLN N N 15 115.835 0.500 . . . . . . B 1759 GLN N . 19610 1 874 . 2 . 2 39 39 GLN NE2 N 15 111.784 0.500 . . . . . . B 1759 GLN NE2 . 19610 1 875 . 2 . 2 40 40 LYS H H 1 8.006 0.050 . . . . . . B 1760 LYS H . 19610 1 876 . 2 . 2 40 40 LYS HA H 1 3.946 0.050 . . . . . . B 1760 LYS HA . 19610 1 877 . 2 . 2 40 40 LYS HB2 H 1 1.672 0.050 . . . . . . B 1760 LYS HB2 . 19610 1 878 . 2 . 2 40 40 LYS HG2 H 1 1.460 0.050 . . . . . . B 1760 LYS HG2 . 19610 1 879 . 2 . 2 40 40 LYS HG3 H 1 1.276 0.050 . . . . . . B 1760 LYS HG3 . 19610 1 880 . 2 . 2 40 40 LYS HD2 H 1 1.553 0.050 . . . . . . B 1760 LYS HD2 . 19610 1 881 . 2 . 2 40 40 LYS HE2 H 1 2.833 0.050 . . . . . . B 1760 LYS HE2 . 19610 1 882 . 2 . 2 40 40 LYS C C 13 178.722 0.500 . . . . . . B 1760 LYS C . 19610 1 883 . 2 . 2 40 40 LYS CA C 13 59.649 0.500 . . . . . . B 1760 LYS CA . 19610 1 884 . 2 . 2 40 40 LYS CB C 13 32.562 0.500 . . . . . . B 1760 LYS CB . 19610 1 885 . 2 . 2 40 40 LYS CG C 13 25.599 0.500 . . . . . . B 1760 LYS CG . 19610 1 886 . 2 . 2 40 40 LYS CD C 13 29.516 0.500 . . . . . . B 1760 LYS CD . 19610 1 887 . 2 . 2 40 40 LYS CE C 13 42.146 0.500 . . . . . . B 1760 LYS CE . 19610 1 888 . 2 . 2 40 40 LYS N N 15 117.181 0.500 . . . . . . B 1760 LYS N . 19610 1 889 . 2 . 2 41 41 MET H H 1 8.354 0.050 . . . . . . B 1761 MET H . 19610 1 890 . 2 . 2 41 41 MET HA H 1 4.491 0.050 . . . . . . B 1761 MET HA . 19610 1 891 . 2 . 2 41 41 MET HB2 H 1 2.289 0.050 . . . . . . B 1761 MET HB2 . 19610 1 892 . 2 . 2 41 41 MET HB3 H 1 1.878 0.050 . . . . . . B 1761 MET HB3 . 19610 1 893 . 2 . 2 41 41 MET HG2 H 1 2.507 0.050 . . . . . . B 1761 MET HG2 . 19610 1 894 . 2 . 2 41 41 MET HG3 H 1 2.657 0.050 . . . . . . B 1761 MET HG3 . 19610 1 895 . 2 . 2 41 41 MET HE1 H 1 1.923 0.050 . . . . . . B 1761 MET HE1 . 19610 1 896 . 2 . 2 41 41 MET HE2 H 1 1.923 0.050 . . . . . . B 1761 MET HE2 . 19610 1 897 . 2 . 2 41 41 MET HE3 H 1 1.923 0.050 . . . . . . B 1761 MET HE3 . 19610 1 898 . 2 . 2 41 41 MET C C 13 179.294 0.500 . . . . . . B 1761 MET C . 19610 1 899 . 2 . 2 41 41 MET CA C 13 56.933 0.500 . . . . . . B 1761 MET CA . 19610 1 900 . 2 . 2 41 41 MET CB C 13 31.673 0.500 . . . . . . B 1761 MET CB . 19610 1 901 . 2 . 2 41 41 MET CG C 13 33.453 0.500 . . . . . . B 1761 MET CG . 19610 1 902 . 2 . 2 41 41 MET CE C 13 17.191 0.500 . . . . . . B 1761 MET CE . 19610 1 903 . 2 . 2 41 41 MET N N 15 118.256 0.500 . . . . . . B 1761 MET N . 19610 1 904 . 2 . 2 42 42 LYS H H 1 9.515 0.050 . . . . . . B 1762 LYS H . 19610 1 905 . 2 . 2 42 42 LYS HA H 1 3.759 0.050 . . . . . . B 1762 LYS HA . 19610 1 906 . 2 . 2 42 42 LYS HB2 H 1 1.793 0.050 . . . . . . B 1762 LYS HB2 . 19610 1 907 . 2 . 2 42 42 LYS HB3 H 1 2.091 0.050 . . . . . . B 1762 LYS HB3 . 19610 1 908 . 2 . 2 42 42 LYS HG2 H 1 1.943 0.050 . . . . . . B 1762 LYS HG2 . 19610 1 909 . 2 . 2 42 42 LYS HG3 H 1 1.328 0.050 . . . . . . B 1762 LYS HG3 . 19610 1 910 . 2 . 2 42 42 LYS HD2 H 1 1.619 0.050 . . . . . . B 1762 LYS HD2 . 19610 1 911 . 2 . 2 42 42 LYS HE2 H 1 3.215 0.050 . . . . . . B 1762 LYS HE2 . 19610 1 912 . 2 . 2 42 42 LYS HE3 H 1 3.087 0.050 . . . . . . B 1762 LYS HE3 . 19610 1 913 . 2 . 2 42 42 LYS C C 13 179.776 0.500 . . . . . . B 1762 LYS C . 19610 1 914 . 2 . 2 42 42 LYS CA C 13 61.378 0.500 . . . . . . B 1762 LYS CA . 19610 1 915 . 2 . 2 42 42 LYS CB C 13 32.757 0.500 . . . . . . B 1762 LYS CB . 19610 1 916 . 2 . 2 42 42 LYS CG C 13 27.420 0.500 . . . . . . B 1762 LYS CG . 19610 1 917 . 2 . 2 42 42 LYS CD C 13 30.100 0.500 . . . . . . B 1762 LYS CD . 19610 1 918 . 2 . 2 42 42 LYS CE C 13 42.878 0.500 . . . . . . B 1762 LYS CE . 19610 1 919 . 2 . 2 42 42 LYS N N 15 121.491 0.500 . . . . . . B 1762 LYS N . 19610 1 920 . 2 . 2 43 43 ARG H H 1 7.517 0.050 . . . . . . B 1763 ARG H . 19610 1 921 . 2 . 2 43 43 ARG HA H 1 4.115 0.050 . . . . . . B 1763 ARG HA . 19610 1 922 . 2 . 2 43 43 ARG HB2 H 1 2.114 0.050 . . . . . . B 1763 ARG HB2 . 19610 1 923 . 2 . 2 43 43 ARG HB3 H 1 1.949 0.050 . . . . . . B 1763 ARG HB3 . 19610 1 924 . 2 . 2 43 43 ARG HG2 H 1 1.948 0.050 . . . . . . B 1763 ARG HG2 . 19610 1 925 . 2 . 2 43 43 ARG HG3 H 1 1.668 0.050 . . . . . . B 1763 ARG HG3 . 19610 1 926 . 2 . 2 43 43 ARG HD2 H 1 3.204 0.050 . . . . . . B 1763 ARG HD2 . 19610 1 927 . 2 . 2 43 43 ARG C C 13 179.796 0.500 . . . . . . B 1763 ARG C . 19610 1 928 . 2 . 2 43 43 ARG CA C 13 59.475 0.500 . . . . . . B 1763 ARG CA . 19610 1 929 . 2 . 2 43 43 ARG CB C 13 30.048 0.500 . . . . . . B 1763 ARG CB . 19610 1 930 . 2 . 2 43 43 ARG CG C 13 27.723 0.500 . . . . . . B 1763 ARG CG . 19610 1 931 . 2 . 2 43 43 ARG CD C 13 43.658 0.500 . . . . . . B 1763 ARG CD . 19610 1 932 . 2 . 2 43 43 ARG N N 15 118.194 0.500 . . . . . . B 1763 ARG N . 19610 1 933 . 2 . 2 44 44 VAL H H 1 7.731 0.050 . . . . . . B 1764 VAL H . 19610 1 934 . 2 . 2 44 44 VAL HA H 1 3.605 0.050 . . . . . . B 1764 VAL HA . 19610 1 935 . 2 . 2 44 44 VAL HB H 1 2.479 0.050 . . . . . . B 1764 VAL HB . 19610 1 936 . 2 . 2 44 44 VAL HG11 H 1 0.903 0.050 . . . . . . B 1764 VAL HG11 . 19610 1 937 . 2 . 2 44 44 VAL HG12 H 1 0.903 0.050 . . . . . . B 1764 VAL HG12 . 19610 1 938 . 2 . 2 44 44 VAL HG13 H 1 0.903 0.050 . . . . . . B 1764 VAL HG13 . 19610 1 939 . 2 . 2 44 44 VAL HG21 H 1 1.073 0.050 . . . . . . B 1764 VAL HG21 . 19610 1 940 . 2 . 2 44 44 VAL HG22 H 1 1.073 0.050 . . . . . . B 1764 VAL HG22 . 19610 1 941 . 2 . 2 44 44 VAL HG23 H 1 1.073 0.050 . . . . . . B 1764 VAL HG23 . 19610 1 942 . 2 . 2 44 44 VAL C C 13 177.407 0.500 . . . . . . B 1764 VAL C . 19610 1 943 . 2 . 2 44 44 VAL CA C 13 66.932 0.500 . . . . . . B 1764 VAL CA . 19610 1 944 . 2 . 2 44 44 VAL CB C 13 31.400 0.500 . . . . . . B 1764 VAL CB . 19610 1 945 . 2 . 2 44 44 VAL CG1 C 13 22.840 0.500 . . . . . . B 1764 VAL CG1 . 19610 1 946 . 2 . 2 44 44 VAL CG2 C 13 23.349 0.500 . . . . . . B 1764 VAL CG2 . 19610 1 947 . 2 . 2 44 44 VAL N N 15 122.188 0.500 . . . . . . B 1764 VAL N . 19610 1 948 . 2 . 2 45 45 VAL H H 1 8.447 0.050 . . . . . . B 1765 VAL H . 19610 1 949 . 2 . 2 45 45 VAL HA H 1 3.437 0.050 . . . . . . B 1765 VAL HA . 19610 1 950 . 2 . 2 45 45 VAL HB H 1 2.170 0.050 . . . . . . B 1765 VAL HB . 19610 1 951 . 2 . 2 45 45 VAL HG11 H 1 0.892 0.050 . . . . . . B 1765 VAL HG11 . 19610 1 952 . 2 . 2 45 45 VAL HG12 H 1 0.892 0.050 . . . . . . B 1765 VAL HG12 . 19610 1 953 . 2 . 2 45 45 VAL HG13 H 1 0.892 0.050 . . . . . . B 1765 VAL HG13 . 19610 1 954 . 2 . 2 45 45 VAL HG21 H 1 0.917 0.050 . . . . . . B 1765 VAL HG21 . 19610 1 955 . 2 . 2 45 45 VAL HG22 H 1 0.917 0.050 . . . . . . B 1765 VAL HG22 . 19610 1 956 . 2 . 2 45 45 VAL HG23 H 1 0.917 0.050 . . . . . . B 1765 VAL HG23 . 19610 1 957 . 2 . 2 45 45 VAL C C 13 178.873 0.500 . . . . . . B 1765 VAL C . 19610 1 958 . 2 . 2 45 45 VAL CA C 13 67.312 0.500 . . . . . . B 1765 VAL CA . 19610 1 959 . 2 . 2 45 45 VAL CB C 13 31.580 0.500 . . . . . . B 1765 VAL CB . 19610 1 960 . 2 . 2 45 45 VAL CG1 C 13 21.409 0.500 . . . . . . B 1765 VAL CG1 . 19610 1 961 . 2 . 2 45 45 VAL CG2 C 13 23.068 0.500 . . . . . . B 1765 VAL CG2 . 19610 1 962 . 2 . 2 45 45 VAL N N 15 120.287 0.500 . . . . . . B 1765 VAL N . 19610 1 963 . 2 . 2 46 46 GLN H H 1 8.411 0.050 . . . . . . B 1766 GLN H . 19610 1 964 . 2 . 2 46 46 GLN HA H 1 3.923 0.050 . . . . . . B 1766 GLN HA . 19610 1 965 . 2 . 2 46 46 GLN HB2 H 1 2.099 0.050 . . . . . . B 1766 GLN HB2 . 19610 1 966 . 2 . 2 46 46 GLN HB3 H 1 2.166 0.050 . . . . . . B 1766 GLN HB3 . 19610 1 967 . 2 . 2 46 46 GLN HG2 H 1 2.445 0.050 . . . . . . B 1766 GLN HG2 . 19610 1 968 . 2 . 2 46 46 GLN HE21 H 1 6.927 0.050 . . . . . . B 1766 GLN HE21 . 19610 1 969 . 2 . 2 46 46 GLN HE22 H 1 7.514 0.050 . . . . . . B 1766 GLN HE22 . 19610 1 970 . 2 . 2 46 46 GLN C C 13 178.801 0.500 . . . . . . B 1766 GLN C . 19610 1 971 . 2 . 2 46 46 GLN CA C 13 58.803 0.500 . . . . . . B 1766 GLN CA . 19610 1 972 . 2 . 2 46 46 GLN CB C 13 28.047 0.500 . . . . . . B 1766 GLN CB . 19610 1 973 . 2 . 2 46 46 GLN CG C 13 33.590 0.500 . . . . . . B 1766 GLN CG . 19610 1 974 . 2 . 2 46 46 GLN N N 15 119.069 0.500 . . . . . . B 1766 GLN N . 19610 1 975 . 2 . 2 46 46 GLN NE2 N 15 111.920 0.500 . . . . . . B 1766 GLN NE2 . 19610 1 976 . 2 . 2 47 47 HIS H H 1 8.129 0.050 . . . . . . B 1767 HIS H . 19610 1 977 . 2 . 2 47 47 HIS HA H 1 4.198 0.050 . . . . . . B 1767 HIS HA . 19610 1 978 . 2 . 2 47 47 HIS HB2 H 1 3.856 0.050 . . . . . . B 1767 HIS HB2 . 19610 1 979 . 2 . 2 47 47 HIS HB3 H 1 3.252 0.050 . . . . . . B 1767 HIS HB3 . 19610 1 980 . 2 . 2 47 47 HIS HD2 H 1 6.875 0.050 . . . . . . B 1767 HIS HD2 . 19610 1 981 . 2 . 2 47 47 HIS HE1 H 1 8.041 0.050 . . . . . . B 1767 HIS HE1 . 19610 1 982 . 2 . 2 47 47 HIS C C 13 177.879 0.500 . . . . . . B 1767 HIS C . 19610 1 983 . 2 . 2 47 47 HIS CA C 13 59.824 0.500 . . . . . . B 1767 HIS CA . 19610 1 984 . 2 . 2 47 47 HIS CB C 13 27.253 0.500 . . . . . . B 1767 HIS CB . 19610 1 985 . 2 . 2 47 47 HIS CD2 C 13 128.800 0.500 . . . . . . B 1767 HIS CD2 . 19610 1 986 . 2 . 2 47 47 HIS CE1 C 13 140.084 0.500 . . . . . . B 1767 HIS CE1 . 19610 1 987 . 2 . 2 47 47 HIS N N 15 118.924 0.500 . . . . . . B 1767 HIS N . 19610 1 988 . 2 . 2 48 48 THR H H 1 7.855 0.050 . . . . . . B 1768 THR H . 19610 1 989 . 2 . 2 48 48 THR HA H 1 3.802 0.050 . . . . . . B 1768 THR HA . 19610 1 990 . 2 . 2 48 48 THR HB H 1 4.155 0.050 . . . . . . B 1768 THR HB . 19610 1 991 . 2 . 2 48 48 THR HG1 H 1 5.517 0.050 . . . . . . B 1768 THR HG1 . 19610 1 992 . 2 . 2 48 48 THR HG21 H 1 1.606 0.050 . . . . . . B 1768 THR HG21 . 19610 1 993 . 2 . 2 48 48 THR HG22 H 1 1.606 0.050 . . . . . . B 1768 THR HG22 . 19610 1 994 . 2 . 2 48 48 THR HG23 H 1 1.606 0.050 . . . . . . B 1768 THR HG23 . 19610 1 995 . 2 . 2 48 48 THR C C 13 175.773 0.500 . . . . . . B 1768 THR C . 19610 1 996 . 2 . 2 48 48 THR CA C 13 65.597 0.500 . . . . . . B 1768 THR CA . 19610 1 997 . 2 . 2 48 48 THR CB C 13 69.533 0.500 . . . . . . B 1768 THR CB . 19610 1 998 . 2 . 2 48 48 THR CG2 C 13 22.054 0.500 . . . . . . B 1768 THR CG2 . 19610 1 999 . 2 . 2 48 48 THR N N 15 110.458 0.500 . . . . . . B 1768 THR N . 19610 1 1000 . 2 . 2 49 49 LYS H H 1 7.303 0.050 . . . . . . B 1769 LYS H . 19610 1 1001 . 2 . 2 49 49 LYS HA H 1 4.013 0.050 . . . . . . B 1769 LYS HA . 19610 1 1002 . 2 . 2 49 49 LYS HB2 H 1 1.822 0.050 . . . . . . B 1769 LYS HB2 . 19610 1 1003 . 2 . 2 49 49 LYS HG2 H 1 1.538 0.050 . . . . . . B 1769 LYS HG2 . 19610 1 1004 . 2 . 2 49 49 LYS HG3 H 1 1.371 0.050 . . . . . . B 1769 LYS HG3 . 19610 1 1005 . 2 . 2 49 49 LYS HD2 H 1 1.595 0.050 . . . . . . B 1769 LYS HD2 . 19610 1 1006 . 2 . 2 49 49 LYS HE2 H 1 2.822 0.050 . . . . . . B 1769 LYS HE2 . 19610 1 1007 . 2 . 2 49 49 LYS C C 13 177.727 0.500 . . . . . . B 1769 LYS C . 19610 1 1008 . 2 . 2 49 49 LYS CA C 13 58.615 0.500 . . . . . . B 1769 LYS CA . 19610 1 1009 . 2 . 2 49 49 LYS CB C 13 32.056 0.500 . . . . . . B 1769 LYS CB . 19610 1 1010 . 2 . 2 49 49 LYS CG C 13 25.366 0.500 . . . . . . B 1769 LYS CG . 19610 1 1011 . 2 . 2 49 49 LYS CD C 13 29.136 0.500 . . . . . . B 1769 LYS CD . 19610 1 1012 . 2 . 2 49 49 LYS CE C 13 42.118 0.500 . . . . . . B 1769 LYS CE . 19610 1 1013 . 2 . 2 49 49 LYS N N 15 120.264 0.500 . . . . . . B 1769 LYS N . 19610 1 1014 . 2 . 2 50 50 GLY H H 1 7.111 0.050 . . . . . . B 1770 GLY H . 19610 1 1015 . 2 . 2 50 50 GLY HA2 H 1 4.328 0.050 . . . . . . B 1770 GLY HA2 . 19610 1 1016 . 2 . 2 50 50 GLY HA3 H 1 3.579 0.050 . . . . . . B 1770 GLY HA3 . 19610 1 1017 . 2 . 2 50 50 GLY C C 13 173.732 0.500 . . . . . . B 1770 GLY C . 19610 1 1018 . 2 . 2 50 50 GLY CA C 13 44.603 0.500 . . . . . . B 1770 GLY CA . 19610 1 1019 . 2 . 2 50 50 GLY N N 15 103.786 0.500 . . . . . . B 1770 GLY N . 19610 1 1020 . 2 . 2 51 51 CYS H H 1 6.872 0.050 . . . . . . B 1771 CYS H . 19610 1 1021 . 2 . 2 51 51 CYS HA H 1 3.906 0.050 . . . . . . B 1771 CYS HA . 19610 1 1022 . 2 . 2 51 51 CYS HB2 H 1 1.996 0.050 . . . . . . B 1771 CYS HB2 . 19610 1 1023 . 2 . 2 51 51 CYS HB3 H 1 2.669 0.050 . . . . . . B 1771 CYS HB3 . 19610 1 1024 . 2 . 2 51 51 CYS C C 13 176.735 0.500 . . . . . . B 1771 CYS C . 19610 1 1025 . 2 . 2 51 51 CYS CA C 13 61.153 0.500 . . . . . . B 1771 CYS CA . 19610 1 1026 . 2 . 2 51 51 CYS CB C 13 29.729 0.500 . . . . . . B 1771 CYS CB . 19610 1 1027 . 2 . 2 51 51 CYS N N 15 123.205 0.500 . . . . . . B 1771 CYS N . 19610 1 1028 . 2 . 2 52 52 LYS H H 1 9.070 0.050 . . . . . . B 1772 LYS H . 19610 1 1029 . 2 . 2 52 52 LYS HA H 1 4.466 0.050 . . . . . . B 1772 LYS HA . 19610 1 1030 . 2 . 2 52 52 LYS HB2 H 1 1.780 0.050 . . . . . . B 1772 LYS HB2 . 19610 1 1031 . 2 . 2 52 52 LYS HB3 H 1 2.024 0.050 . . . . . . B 1772 LYS HB3 . 19610 1 1032 . 2 . 2 52 52 LYS HG2 H 1 1.475 0.050 . . . . . . B 1772 LYS HG2 . 19610 1 1033 . 2 . 2 52 52 LYS HG3 H 1 1.576 0.050 . . . . . . B 1772 LYS HG3 . 19610 1 1034 . 2 . 2 52 52 LYS HD2 H 1 1.665 0.050 . . . . . . B 1772 LYS HD2 . 19610 1 1035 . 2 . 2 52 52 LYS HE2 H 1 2.999 0.050 . . . . . . B 1772 LYS HE2 . 19610 1 1036 . 2 . 2 52 52 LYS C C 13 177.546 0.500 . . . . . . B 1772 LYS C . 19610 1 1037 . 2 . 2 52 52 LYS CA C 13 56.499 0.500 . . . . . . B 1772 LYS CA . 19610 1 1038 . 2 . 2 52 52 LYS CB C 13 32.753 0.500 . . . . . . B 1772 LYS CB . 19610 1 1039 . 2 . 2 52 52 LYS CG C 13 24.932 0.500 . . . . . . B 1772 LYS CG . 19610 1 1040 . 2 . 2 52 52 LYS CD C 13 28.773 0.500 . . . . . . B 1772 LYS CD . 19610 1 1041 . 2 . 2 52 52 LYS CE C 13 42.212 0.500 . . . . . . B 1772 LYS CE . 19610 1 1042 . 2 . 2 52 52 LYS N N 15 128.138 0.500 . . . . . . B 1772 LYS N . 19610 1 1043 . 2 . 2 53 53 ARG H H 1 8.479 0.050 . . . . . . B 1773 ARG H . 19610 1 1044 . 2 . 2 53 53 ARG HA H 1 4.354 0.050 . . . . . . B 1773 ARG HA . 19610 1 1045 . 2 . 2 53 53 ARG HB2 H 1 1.813 0.050 . . . . . . B 1773 ARG HB2 . 19610 1 1046 . 2 . 2 53 53 ARG HB3 H 1 1.736 0.050 . . . . . . B 1773 ARG HB3 . 19610 1 1047 . 2 . 2 53 53 ARG HG2 H 1 1.800 0.050 . . . . . . B 1773 ARG HG2 . 19610 1 1048 . 2 . 2 53 53 ARG HG3 H 1 1.652 0.050 . . . . . . B 1773 ARG HG3 . 19610 1 1049 . 2 . 2 53 53 ARG HD2 H 1 3.244 0.050 . . . . . . B 1773 ARG HD2 . 19610 1 1050 . 2 . 2 53 53 ARG C C 13 176.803 0.500 . . . . . . B 1773 ARG C . 19610 1 1051 . 2 . 2 53 53 ARG CA C 13 57.598 0.500 . . . . . . B 1773 ARG CA . 19610 1 1052 . 2 . 2 53 53 ARG CB C 13 31.567 0.500 . . . . . . B 1773 ARG CB . 19610 1 1053 . 2 . 2 53 53 ARG CG C 13 27.653 0.500 . . . . . . B 1773 ARG CG . 19610 1 1054 . 2 . 2 53 53 ARG CD C 13 43.612 0.500 . . . . . . B 1773 ARG CD . 19610 1 1055 . 2 . 2 53 53 ARG N N 15 122.385 0.500 . . . . . . B 1773 ARG N . 19610 1 1056 . 2 . 2 54 54 LYS H H 1 8.397 0.050 . . . . . . B 1774 LYS H . 19610 1 1057 . 2 . 2 54 54 LYS HA H 1 4.444 0.050 . . . . . . B 1774 LYS HA . 19610 1 1058 . 2 . 2 54 54 LYS HB2 H 1 2.024 0.050 . . . . . . B 1774 LYS HB2 . 19610 1 1059 . 2 . 2 54 54 LYS HB3 H 1 2.271 0.050 . . . . . . B 1774 LYS HB3 . 19610 1 1060 . 2 . 2 54 54 LYS HG2 H 1 1.306 0.050 . . . . . . B 1774 LYS HG2 . 19610 1 1061 . 2 . 2 54 54 LYS HG3 H 1 1.564 0.050 . . . . . . B 1774 LYS HG3 . 19610 1 1062 . 2 . 2 54 54 LYS HD2 H 1 1.727 0.050 . . . . . . B 1774 LYS HD2 . 19610 1 1063 . 2 . 2 54 54 LYS HD3 H 1 2.023 0.050 . . . . . . B 1774 LYS HD3 . 19610 1 1064 . 2 . 2 54 54 LYS HE2 H 1 3.113 0.050 . . . . . . B 1774 LYS HE2 . 19610 1 1065 . 2 . 2 54 54 LYS C C 13 177.271 0.500 . . . . . . B 1774 LYS C . 19610 1 1066 . 2 . 2 54 54 LYS CA C 13 57.728 0.500 . . . . . . B 1774 LYS CA . 19610 1 1067 . 2 . 2 54 54 LYS CB C 13 32.173 0.500 . . . . . . B 1774 LYS CB . 19610 1 1068 . 2 . 2 54 54 LYS CG C 13 24.711 0.500 . . . . . . B 1774 LYS CG . 19610 1 1069 . 2 . 2 54 54 LYS CD C 13 29.712 0.500 . . . . . . B 1774 LYS CD . 19610 1 1070 . 2 . 2 54 54 LYS CE C 13 42.611 0.500 . . . . . . B 1774 LYS CE . 19610 1 1071 . 2 . 2 54 54 LYS N N 15 118.612 0.500 . . . . . . B 1774 LYS N . 19610 1 1072 . 2 . 2 55 55 THR H H 1 7.736 0.050 . . . . . . B 1775 THR H . 19610 1 1073 . 2 . 2 55 55 THR HA H 1 4.096 0.050 . . . . . . B 1775 THR HA . 19610 1 1074 . 2 . 2 55 55 THR HB H 1 4.175 0.050 . . . . . . B 1775 THR HB . 19610 1 1075 . 2 . 2 55 55 THR HG21 H 1 1.163 0.050 . . . . . . B 1775 THR HG21 . 19610 1 1076 . 2 . 2 55 55 THR HG22 H 1 1.163 0.050 . . . . . . B 1775 THR HG22 . 19610 1 1077 . 2 . 2 55 55 THR HG23 H 1 1.163 0.050 . . . . . . B 1775 THR HG23 . 19610 1 1078 . 2 . 2 55 55 THR C C 13 175.636 0.500 . . . . . . B 1775 THR C . 19610 1 1079 . 2 . 2 55 55 THR CA C 13 63.839 0.500 . . . . . . B 1775 THR CA . 19610 1 1080 . 2 . 2 55 55 THR CB C 13 68.812 0.500 . . . . . . B 1775 THR CB . 19610 1 1081 . 2 . 2 55 55 THR CG2 C 13 22.025 0.500 . . . . . . B 1775 THR CG2 . 19610 1 1082 . 2 . 2 55 55 THR N N 15 113.345 0.500 . . . . . . B 1775 THR N . 19610 1 1083 . 2 . 2 56 56 ASN H H 1 8.315 0.050 . . . . . . B 1776 ASN H . 19610 1 1084 . 2 . 2 56 56 ASN HA H 1 4.698 0.050 . . . . . . B 1776 ASN HA . 19610 1 1085 . 2 . 2 56 56 ASN HB3 H 1 2.831 0.050 . . . . . . B 1776 ASN HB3 . 19610 1 1086 . 2 . 2 56 56 ASN HD21 H 1 6.839 0.050 . . . . . . B 1776 ASN HD21 . 19610 1 1087 . 2 . 2 56 56 ASN HD22 H 1 7.643 0.050 . . . . . . B 1776 ASN HD22 . 19610 1 1088 . 2 . 2 56 56 ASN C C 13 175.906 0.500 . . . . . . B 1776 ASN C . 19610 1 1089 . 2 . 2 56 56 ASN CA C 13 53.535 0.500 . . . . . . B 1776 ASN CA . 19610 1 1090 . 2 . 2 56 56 ASN CB C 13 38.182 0.500 . . . . . . B 1776 ASN CB . 19610 1 1091 . 2 . 2 56 56 ASN N N 15 119.574 0.500 . . . . . . B 1776 ASN N . 19610 1 1092 . 2 . 2 56 56 ASN ND2 N 15 112.133 0.500 . . . . . . B 1776 ASN ND2 . 19610 1 1093 . 2 . 2 57 57 GLY H H 1 8.000 0.050 . . . . . . B 1777 GLY H . 19610 1 1094 . 2 . 2 57 57 GLY HA2 H 1 3.939 0.050 . . . . . . B 1777 GLY HA2 . 19610 1 1095 . 2 . 2 57 57 GLY C C 13 175.206 0.500 . . . . . . B 1777 GLY C . 19610 1 1096 . 2 . 2 57 57 GLY CA C 13 45.845 0.500 . . . . . . B 1777 GLY CA . 19610 1 1097 . 2 . 2 57 57 GLY N N 15 107.457 0.500 . . . . . . B 1777 GLY N . 19610 1 1098 . 2 . 2 58 58 GLY H H 1 7.766 0.050 . . . . . . B 1778 GLY H . 19610 1 1099 . 2 . 2 58 58 GLY HA2 H 1 3.940 0.050 . . . . . . B 1778 GLY HA2 . 19610 1 1100 . 2 . 2 58 58 GLY HA3 H 1 3.853 0.050 . . . . . . B 1778 GLY HA3 . 19610 1 1101 . 2 . 2 58 58 GLY C C 13 173.083 0.500 . . . . . . B 1778 GLY C . 19610 1 1102 . 2 . 2 58 58 GLY CA C 13 45.510 0.500 . . . . . . B 1778 GLY CA . 19610 1 1103 . 2 . 2 58 58 GLY N N 15 106.945 0.500 . . . . . . B 1778 GLY N . 19610 1 1104 . 2 . 2 59 59 CYS H H 1 8.063 0.050 . . . . . . B 1779 CYS H . 19610 1 1105 . 2 . 2 59 59 CYS HA H 1 4.800 0.050 . . . . . . B 1779 CYS HA . 19610 1 1106 . 2 . 2 59 59 CYS HB2 H 1 2.593 0.050 . . . . . . B 1779 CYS HB2 . 19610 1 1107 . 2 . 2 59 59 CYS HB3 H 1 2.901 0.050 . . . . . . B 1779 CYS HB3 . 19610 1 1108 . 2 . 2 59 59 CYS CA C 13 55.404 0.500 . . . . . . B 1779 CYS CA . 19610 1 1109 . 2 . 2 59 59 CYS CB C 13 30.843 0.500 . . . . . . B 1779 CYS CB . 19610 1 1110 . 2 . 2 59 59 CYS N N 15 122.464 0.500 . . . . . . B 1779 CYS N . 19610 1 1111 . 2 . 2 60 60 PRO HA H 1 4.293 0.050 . . . . . . B 1780 PRO HA . 19610 1 1112 . 2 . 2 60 60 PRO HB2 H 1 2.351 0.050 . . . . . . B 1780 PRO HB2 . 19610 1 1113 . 2 . 2 60 60 PRO HB3 H 1 1.946 0.050 . . . . . . B 1780 PRO HB3 . 19610 1 1114 . 2 . 2 60 60 PRO HG2 H 1 2.026 0.050 . . . . . . B 1780 PRO HG2 . 19610 1 1115 . 2 . 2 60 60 PRO HG3 H 1 2.100 0.050 . . . . . . B 1780 PRO HG3 . 19610 1 1116 . 2 . 2 60 60 PRO HD2 H 1 4.015 0.050 . . . . . . B 1780 PRO HD2 . 19610 1 1117 . 2 . 2 60 60 PRO C C 13 178.630 0.500 . . . . . . B 1780 PRO C . 19610 1 1118 . 2 . 2 60 60 PRO CA C 13 64.990 0.500 . . . . . . B 1780 PRO CA . 19610 1 1119 . 2 . 2 60 60 PRO CB C 13 32.483 0.500 . . . . . . B 1780 PRO CB . 19610 1 1120 . 2 . 2 60 60 PRO CG C 13 27.435 0.500 . . . . . . B 1780 PRO CG . 19610 1 1121 . 2 . 2 60 60 PRO CD C 13 51.464 0.500 . . . . . . B 1780 PRO CD . 19610 1 1122 . 2 . 2 61 61 ILE H H 1 7.825 0.050 . . . . . . B 1781 ILE H . 19610 1 1123 . 2 . 2 61 61 ILE HA H 1 3.724 0.050 . . . . . . B 1781 ILE HA . 19610 1 1124 . 2 . 2 61 61 ILE HB H 1 1.531 0.050 . . . . . . B 1781 ILE HB . 19610 1 1125 . 2 . 2 61 61 ILE HG12 H 1 0.844 0.050 . . . . . . B 1781 ILE HG12 . 19610 1 1126 . 2 . 2 61 61 ILE HG13 H 1 1.375 0.050 . . . . . . B 1781 ILE HG13 . 19610 1 1127 . 2 . 2 61 61 ILE HG21 H 1 0.672 0.050 . . . . . . B 1781 ILE HG21 . 19610 1 1128 . 2 . 2 61 61 ILE HG22 H 1 0.672 0.050 . . . . . . B 1781 ILE HG22 . 19610 1 1129 . 2 . 2 61 61 ILE HG23 H 1 0.672 0.050 . . . . . . B 1781 ILE HG23 . 19610 1 1130 . 2 . 2 61 61 ILE HD11 H 1 0.437 0.050 . . . . . . B 1781 ILE HD11 . 19610 1 1131 . 2 . 2 61 61 ILE HD12 H 1 0.437 0.050 . . . . . . B 1781 ILE HD12 . 19610 1 1132 . 2 . 2 61 61 ILE HD13 H 1 0.437 0.050 . . . . . . B 1781 ILE HD13 . 19610 1 1133 . 2 . 2 61 61 ILE C C 13 177.953 0.500 . . . . . . B 1781 ILE C . 19610 1 1134 . 2 . 2 61 61 ILE CA C 13 64.490 0.500 . . . . . . B 1781 ILE CA . 19610 1 1135 . 2 . 2 61 61 ILE CB C 13 38.942 0.500 . . . . . . B 1781 ILE CB . 19610 1 1136 . 2 . 2 61 61 ILE CG1 C 13 28.204 0.500 . . . . . . B 1781 ILE CG1 . 19610 1 1137 . 2 . 2 61 61 ILE CG2 C 13 18.284 0.500 . . . . . . B 1781 ILE CG2 . 19610 1 1138 . 2 . 2 61 61 ILE CD1 C 13 13.120 0.500 . . . . . . B 1781 ILE CD1 . 19610 1 1139 . 2 . 2 61 61 ILE N N 15 121.048 0.500 . . . . . . B 1781 ILE N . 19610 1 1140 . 2 . 2 62 62 CYS H H 1 8.888 0.050 . . . . . . B 1782 CYS H . 19610 1 1141 . 2 . 2 62 62 CYS HA H 1 4.047 0.050 . . . . . . B 1782 CYS HA . 19610 1 1142 . 2 . 2 62 62 CYS HB2 H 1 2.726 0.050 . . . . . . B 1782 CYS HB2 . 19610 1 1143 . 2 . 2 62 62 CYS HB3 H 1 2.940 0.050 . . . . . . B 1782 CYS HB3 . 19610 1 1144 . 2 . 2 62 62 CYS C C 13 177.402 0.500 . . . . . . B 1782 CYS C . 19610 1 1145 . 2 . 2 62 62 CYS CA C 13 66.266 0.500 . . . . . . B 1782 CYS CA . 19610 1 1146 . 2 . 2 62 62 CYS CB C 13 29.149 0.500 . . . . . . B 1782 CYS CB . 19610 1 1147 . 2 . 2 62 62 CYS N N 15 123.694 0.500 . . . . . . B 1782 CYS N . 19610 1 1148 . 2 . 2 63 63 LYS H H 1 8.030 0.050 . . . . . . B 1783 LYS H . 19610 1 1149 . 2 . 2 63 63 LYS HA H 1 3.827 0.050 . . . . . . B 1783 LYS HA . 19610 1 1150 . 2 . 2 63 63 LYS HB2 H 1 1.718 0.050 . . . . . . B 1783 LYS HB2 . 19610 1 1151 . 2 . 2 63 63 LYS HB3 H 1 1.820 0.050 . . . . . . B 1783 LYS HB3 . 19610 1 1152 . 2 . 2 63 63 LYS HG2 H 1 1.310 0.050 . . . . . . B 1783 LYS HG2 . 19610 1 1153 . 2 . 2 63 63 LYS HG3 H 1 1.464 0.050 . . . . . . B 1783 LYS HG3 . 19610 1 1154 . 2 . 2 63 63 LYS HD2 H 1 1.585 0.050 . . . . . . B 1783 LYS HD2 . 19610 1 1155 . 2 . 2 63 63 LYS HE2 H 1 2.862 0.050 . . . . . . B 1783 LYS HE2 . 19610 1 1156 . 2 . 2 63 63 LYS C C 13 179.126 0.500 . . . . . . B 1783 LYS C . 19610 1 1157 . 2 . 2 63 63 LYS CA C 13 60.018 0.500 . . . . . . B 1783 LYS CA . 19610 1 1158 . 2 . 2 63 63 LYS CB C 13 32.670 0.500 . . . . . . B 1783 LYS CB . 19610 1 1159 . 2 . 2 63 63 LYS CG C 13 25.353 0.500 . . . . . . B 1783 LYS CG . 19610 1 1160 . 2 . 2 63 63 LYS CD C 13 29.287 0.500 . . . . . . B 1783 LYS CD . 19610 1 1161 . 2 . 2 63 63 LYS CE C 13 41.906 0.500 . . . . . . B 1783 LYS CE . 19610 1 1162 . 2 . 2 63 63 LYS N N 15 116.948 0.500 . . . . . . B 1783 LYS N . 19610 1 1163 . 2 . 2 64 64 GLN H H 1 7.246 0.050 . . . . . . B 1784 GLN H . 19610 1 1164 . 2 . 2 64 64 GLN HA H 1 4.147 0.050 . . . . . . B 1784 GLN HA . 19610 1 1165 . 2 . 2 64 64 GLN HB3 H 1 2.013 0.050 . . . . . . B 1784 GLN HB3 . 19610 1 1166 . 2 . 2 64 64 GLN HG2 H 1 2.372 0.050 . . . . . . B 1784 GLN HG2 . 19610 1 1167 . 2 . 2 64 64 GLN HG3 H 1 2.246 0.050 . . . . . . B 1784 GLN HG3 . 19610 1 1168 . 2 . 2 64 64 GLN HE21 H 1 7.051 0.050 . . . . . . B 1784 GLN HE21 . 19610 1 1169 . 2 . 2 64 64 GLN HE22 H 1 6.856 0.050 . . . . . . B 1784 GLN HE22 . 19610 1 1170 . 2 . 2 64 64 GLN C C 13 178.058 0.500 . . . . . . B 1784 GLN C . 19610 1 1171 . 2 . 2 64 64 GLN CA C 13 58.305 0.500 . . . . . . B 1784 GLN CA . 19610 1 1172 . 2 . 2 64 64 GLN CB C 13 29.553 0.500 . . . . . . B 1784 GLN CB . 19610 1 1173 . 2 . 2 64 64 GLN CG C 13 34.193 0.500 . . . . . . B 1784 GLN CG . 19610 1 1174 . 2 . 2 64 64 GLN N N 15 117.752 0.500 . . . . . . B 1784 GLN N . 19610 1 1175 . 2 . 2 64 64 GLN NE2 N 15 110.044 0.500 . . . . . . B 1784 GLN NE2 . 19610 1 1176 . 2 . 2 65 65 LEU H H 1 8.091 0.050 . . . . . . B 1785 LEU H . 19610 1 1177 . 2 . 2 65 65 LEU HA H 1 4.140 0.050 . . . . . . B 1785 LEU HA . 19610 1 1178 . 2 . 2 65 65 LEU HB2 H 1 1.946 0.050 . . . . . . B 1785 LEU HB2 . 19610 1 1179 . 2 . 2 65 65 LEU HB3 H 1 1.855 0.050 . . . . . . B 1785 LEU HB3 . 19610 1 1180 . 2 . 2 65 65 LEU HG H 1 1.861 0.050 . . . . . . B 1785 LEU HG . 19610 1 1181 . 2 . 2 65 65 LEU HD11 H 1 0.995 0.050 . . . . . . B 1785 LEU HD11 . 19610 1 1182 . 2 . 2 65 65 LEU HD12 H 1 0.995 0.050 . . . . . . B 1785 LEU HD12 . 19610 1 1183 . 2 . 2 65 65 LEU HD13 H 1 0.995 0.050 . . . . . . B 1785 LEU HD13 . 19610 1 1184 . 2 . 2 65 65 LEU HD21 H 1 0.980 0.050 . . . . . . B 1785 LEU HD21 . 19610 1 1185 . 2 . 2 65 65 LEU HD22 H 1 0.980 0.050 . . . . . . B 1785 LEU HD22 . 19610 1 1186 . 2 . 2 65 65 LEU HD23 H 1 0.980 0.050 . . . . . . B 1785 LEU HD23 . 19610 1 1187 . 2 . 2 65 65 LEU C C 13 178.956 0.500 . . . . . . B 1785 LEU C . 19610 1 1188 . 2 . 2 65 65 LEU CA C 13 57.963 0.500 . . . . . . B 1785 LEU CA . 19610 1 1189 . 2 . 2 65 65 LEU CB C 13 41.689 0.500 . . . . . . B 1785 LEU CB . 19610 1 1190 . 2 . 2 65 65 LEU CG C 13 27.591 0.500 . . . . . . B 1785 LEU CG . 19610 1 1191 . 2 . 2 65 65 LEU CD1 C 13 25.148 0.500 . . . . . . B 1785 LEU CD1 . 19610 1 1192 . 2 . 2 65 65 LEU CD2 C 13 24.833 0.500 . . . . . . B 1785 LEU CD2 . 19610 1 1193 . 2 . 2 65 65 LEU N N 15 120.116 0.500 . . . . . . B 1785 LEU N . 19610 1 1194 . 2 . 2 66 66 ILE H H 1 8.513 0.050 . . . . . . B 1786 ILE H . 19610 1 1195 . 2 . 2 66 66 ILE HA H 1 3.484 0.050 . . . . . . B 1786 ILE HA . 19610 1 1196 . 2 . 2 66 66 ILE HB H 1 1.394 0.050 . . . . . . B 1786 ILE HB . 19610 1 1197 . 2 . 2 66 66 ILE HG12 H 1 1.019 0.050 . . . . . . B 1786 ILE HG12 . 19610 1 1198 . 2 . 2 66 66 ILE HG13 H 1 0.273 0.050 . . . . . . B 1786 ILE HG13 . 19610 1 1199 . 2 . 2 66 66 ILE HG21 H 1 0.738 0.050 . . . . . . B 1786 ILE HG21 . 19610 1 1200 . 2 . 2 66 66 ILE HG22 H 1 0.738 0.050 . . . . . . B 1786 ILE HG22 . 19610 1 1201 . 2 . 2 66 66 ILE HG23 H 1 0.738 0.050 . . . . . . B 1786 ILE HG23 . 19610 1 1202 . 2 . 2 66 66 ILE HD11 H 1 0.367 0.050 . . . . . . B 1786 ILE HD11 . 19610 1 1203 . 2 . 2 66 66 ILE HD12 H 1 0.367 0.050 . . . . . . B 1786 ILE HD12 . 19610 1 1204 . 2 . 2 66 66 ILE HD13 H 1 0.367 0.050 . . . . . . B 1786 ILE HD13 . 19610 1 1205 . 2 . 2 66 66 ILE C C 13 177.160 0.500 . . . . . . B 1786 ILE C . 19610 1 1206 . 2 . 2 66 66 ILE CA C 13 65.482 0.500 . . . . . . B 1786 ILE CA . 19610 1 1207 . 2 . 2 66 66 ILE CB C 13 37.532 0.500 . . . . . . B 1786 ILE CB . 19610 1 1208 . 2 . 2 66 66 ILE CG1 C 13 29.957 0.500 . . . . . . B 1786 ILE CG1 . 19610 1 1209 . 2 . 2 66 66 ILE CG2 C 13 16.967 0.500 . . . . . . B 1786 ILE CG2 . 19610 1 1210 . 2 . 2 66 66 ILE CD1 C 13 13.462 0.500 . . . . . . B 1786 ILE CD1 . 19610 1 1211 . 2 . 2 66 66 ILE N N 15 120.386 0.500 . . . . . . B 1786 ILE N . 19610 1 1212 . 2 . 2 67 67 ALA H H 1 7.272 0.050 . . . . . . B 1787 ALA H . 19610 1 1213 . 2 . 2 67 67 ALA HA H 1 4.108 0.050 . . . . . . B 1787 ALA HA . 19610 1 1214 . 2 . 2 67 67 ALA HB1 H 1 1.475 0.050 . . . . . . B 1787 ALA HB1 . 19610 1 1215 . 2 . 2 67 67 ALA HB2 H 1 1.475 0.050 . . . . . . B 1787 ALA HB2 . 19610 1 1216 . 2 . 2 67 67 ALA HB3 H 1 1.475 0.050 . . . . . . B 1787 ALA HB3 . 19610 1 1217 . 2 . 2 67 67 ALA C C 13 180.625 0.500 . . . . . . B 1787 ALA C . 19610 1 1218 . 2 . 2 67 67 ALA CA C 13 55.112 0.500 . . . . . . B 1787 ALA CA . 19610 1 1219 . 2 . 2 67 67 ALA CB C 13 18.024 0.500 . . . . . . B 1787 ALA CB . 19610 1 1220 . 2 . 2 67 67 ALA N N 15 122.337 0.500 . . . . . . B 1787 ALA N . 19610 1 1221 . 2 . 2 68 68 LEU H H 1 7.913 0.050 . . . . . . B 1788 LEU H . 19610 1 1222 . 2 . 2 68 68 LEU HA H 1 4.144 0.050 . . . . . . B 1788 LEU HA . 19610 1 1223 . 2 . 2 68 68 LEU HB2 H 1 1.651 0.050 . . . . . . B 1788 LEU HB2 . 19610 1 1224 . 2 . 2 68 68 LEU HB3 H 1 1.870 0.050 . . . . . . B 1788 LEU HB3 . 19610 1 1225 . 2 . 2 68 68 LEU HG H 1 1.811 0.050 . . . . . . B 1788 LEU HG . 19610 1 1226 . 2 . 2 68 68 LEU HD11 H 1 0.765 0.050 . . . . . . B 1788 LEU HD11 . 19610 1 1227 . 2 . 2 68 68 LEU HD12 H 1 0.765 0.050 . . . . . . B 1788 LEU HD12 . 19610 1 1228 . 2 . 2 68 68 LEU HD13 H 1 0.765 0.050 . . . . . . B 1788 LEU HD13 . 19610 1 1229 . 2 . 2 68 68 LEU HD21 H 1 0.856 0.050 . . . . . . B 1788 LEU HD21 . 19610 1 1230 . 2 . 2 68 68 LEU HD22 H 1 0.856 0.050 . . . . . . B 1788 LEU HD22 . 19610 1 1231 . 2 . 2 68 68 LEU HD23 H 1 0.856 0.050 . . . . . . B 1788 LEU HD23 . 19610 1 1232 . 2 . 2 68 68 LEU C C 13 178.823 0.500 . . . . . . B 1788 LEU C . 19610 1 1233 . 2 . 2 68 68 LEU CA C 13 57.940 0.500 . . . . . . B 1788 LEU CA . 19610 1 1234 . 2 . 2 68 68 LEU CB C 13 42.291 0.500 . . . . . . B 1788 LEU CB . 19610 1 1235 . 2 . 2 68 68 LEU CG C 13 26.819 0.500 . . . . . . B 1788 LEU CG . 19610 1 1236 . 2 . 2 68 68 LEU CD1 C 13 24.683 0.500 . . . . . . B 1788 LEU CD1 . 19610 1 1237 . 2 . 2 68 68 LEU CD2 C 13 25.382 0.500 . . . . . . B 1788 LEU CD2 . 19610 1 1238 . 2 . 2 68 68 LEU N N 15 118.681 0.500 . . . . . . B 1788 LEU N . 19610 1 1239 . 2 . 2 69 69 ALA H H 1 8.869 0.050 . . . . . . B 1789 ALA H . 19610 1 1240 . 2 . 2 69 69 ALA HA H 1 3.894 0.050 . . . . . . B 1789 ALA HA . 19610 1 1241 . 2 . 2 69 69 ALA HB1 H 1 1.629 0.050 . . . . . . B 1789 ALA HB1 . 19610 1 1242 . 2 . 2 69 69 ALA HB2 H 1 1.629 0.050 . . . . . . B 1789 ALA HB2 . 19610 1 1243 . 2 . 2 69 69 ALA HB3 H 1 1.629 0.050 . . . . . . B 1789 ALA HB3 . 19610 1 1244 . 2 . 2 69 69 ALA C C 13 179.423 0.500 . . . . . . B 1789 ALA C . 19610 1 1245 . 2 . 2 69 69 ALA CA C 13 55.687 0.500 . . . . . . B 1789 ALA CA . 19610 1 1246 . 2 . 2 69 69 ALA CB C 13 18.940 0.500 . . . . . . B 1789 ALA CB . 19610 1 1247 . 2 . 2 69 69 ALA N N 15 121.466 0.500 . . . . . . B 1789 ALA N . 19610 1 1248 . 2 . 2 70 70 ALA H H 1 8.498 0.050 . . . . . . B 1790 ALA H . 19610 1 1249 . 2 . 2 70 70 ALA HA H 1 4.088 0.050 . . . . . . B 1790 ALA HA . 19610 1 1250 . 2 . 2 70 70 ALA HB1 H 1 1.468 0.050 . . . . . . B 1790 ALA HB1 . 19610 1 1251 . 2 . 2 70 70 ALA HB2 H 1 1.468 0.050 . . . . . . B 1790 ALA HB2 . 19610 1 1252 . 2 . 2 70 70 ALA HB3 H 1 1.468 0.050 . . . . . . B 1790 ALA HB3 . 19610 1 1253 . 2 . 2 70 70 ALA C C 13 180.108 0.500 . . . . . . B 1790 ALA C . 19610 1 1254 . 2 . 2 70 70 ALA CA C 13 55.335 0.500 . . . . . . B 1790 ALA CA . 19610 1 1255 . 2 . 2 70 70 ALA CB C 13 17.985 0.500 . . . . . . B 1790 ALA CB . 19610 1 1256 . 2 . 2 70 70 ALA N N 15 119.905 0.500 . . . . . . B 1790 ALA N . 19610 1 1257 . 2 . 2 71 71 TYR H H 1 7.663 0.050 . . . . . . B 1791 TYR H . 19610 1 1258 . 2 . 2 71 71 TYR HA H 1 4.180 0.050 . . . . . . B 1791 TYR HA . 19610 1 1259 . 2 . 2 71 71 TYR HB2 H 1 3.211 0.050 . . . . . . B 1791 TYR HB2 . 19610 1 1260 . 2 . 2 71 71 TYR HB3 H 1 3.153 0.050 . . . . . . B 1791 TYR HB3 . 19610 1 1261 . 2 . 2 71 71 TYR HD1 H 1 7.156 0.050 . . . . . . B 1791 TYR HD1 . 19610 1 1262 . 2 . 2 71 71 TYR HD2 H 1 7.156 0.050 . . . . . . B 1791 TYR HD2 . 19610 1 1263 . 2 . 2 71 71 TYR HE1 H 1 6.778 0.050 . . . . . . B 1791 TYR HE1 . 19610 1 1264 . 2 . 2 71 71 TYR HE2 H 1 6.778 0.050 . . . . . . B 1791 TYR HE2 . 19610 1 1265 . 2 . 2 71 71 TYR C C 13 178.698 0.500 . . . . . . B 1791 TYR C . 19610 1 1266 . 2 . 2 71 71 TYR CA C 13 61.439 0.500 . . . . . . B 1791 TYR CA . 19610 1 1267 . 2 . 2 71 71 TYR CB C 13 38.419 0.500 . . . . . . B 1791 TYR CB . 19610 1 1268 . 2 . 2 71 71 TYR CD1 C 13 133.206 0.500 . . . . . . B 1791 TYR CD1 . 19610 1 1269 . 2 . 2 71 71 TYR CD2 C 13 133.206 0.500 . . . . . . B 1791 TYR CD2 . 19610 1 1270 . 2 . 2 71 71 TYR CE1 C 13 118.219 0.500 . . . . . . B 1791 TYR CE1 . 19610 1 1271 . 2 . 2 71 71 TYR CE2 C 13 118.219 0.500 . . . . . . B 1791 TYR CE2 . 19610 1 1272 . 2 . 2 71 71 TYR N N 15 118.450 0.500 . . . . . . B 1791 TYR N . 19610 1 1273 . 2 . 2 72 72 HIS H H 1 8.058 0.050 . . . . . . B 1792 HIS H . 19610 1 1274 . 2 . 2 72 72 HIS HA H 1 4.347 0.050 . . . . . . B 1792 HIS HA . 19610 1 1275 . 2 . 2 72 72 HIS HB2 H 1 3.192 0.050 . . . . . . B 1792 HIS HB2 . 19610 1 1276 . 2 . 2 72 72 HIS HB3 H 1 3.521 0.050 . . . . . . B 1792 HIS HB3 . 19610 1 1277 . 2 . 2 72 72 HIS HD2 H 1 7.142 0.050 . . . . . . B 1792 HIS HD2 . 19610 1 1278 . 2 . 2 72 72 HIS HE1 H 1 8.030 0.050 . . . . . . B 1792 HIS HE1 . 19610 1 1279 . 2 . 2 72 72 HIS C C 13 176.692 0.500 . . . . . . B 1792 HIS C . 19610 1 1280 . 2 . 2 72 72 HIS CA C 13 58.770 0.500 . . . . . . B 1792 HIS CA . 19610 1 1281 . 2 . 2 72 72 HIS CB C 13 27.819 0.500 . . . . . . B 1792 HIS CB . 19610 1 1282 . 2 . 2 72 72 HIS CD2 C 13 129.481 0.500 . . . . . . B 1792 HIS CD2 . 19610 1 1283 . 2 . 2 72 72 HIS CE1 C 13 140.145 0.500 . . . . . . B 1792 HIS CE1 . 19610 1 1284 . 2 . 2 72 72 HIS N N 15 118.805 0.500 . . . . . . B 1792 HIS N . 19610 1 1285 . 2 . 2 73 73 ALA H H 1 9.155 0.050 . . . . . . B 1793 ALA H . 19610 1 1286 . 2 . 2 73 73 ALA HA H 1 3.898 0.050 . . . . . . B 1793 ALA HA . 19610 1 1287 . 2 . 2 73 73 ALA HB1 H 1 1.560 0.050 . . . . . . B 1793 ALA HB1 . 19610 1 1288 . 2 . 2 73 73 ALA HB2 H 1 1.560 0.050 . . . . . . B 1793 ALA HB2 . 19610 1 1289 . 2 . 2 73 73 ALA HB3 H 1 1.560 0.050 . . . . . . B 1793 ALA HB3 . 19610 1 1290 . 2 . 2 73 73 ALA C C 13 178.886 0.500 . . . . . . B 1793 ALA C . 19610 1 1291 . 2 . 2 73 73 ALA CA C 13 54.695 0.500 . . . . . . B 1793 ALA CA . 19610 1 1292 . 2 . 2 73 73 ALA CB C 13 19.765 0.500 . . . . . . B 1793 ALA CB . 19610 1 1293 . 2 . 2 73 73 ALA N N 15 121.865 0.500 . . . . . . B 1793 ALA N . 19610 1 1294 . 2 . 2 74 74 LYS H H 1 6.946 0.050 . . . . . . B 1794 LYS H . 19610 1 1295 . 2 . 2 74 74 LYS HA H 1 3.813 0.050 . . . . . . B 1794 LYS HA . 19610 1 1296 . 2 . 2 74 74 LYS HB2 H 1 1.539 0.050 . . . . . . B 1794 LYS HB2 . 19610 1 1297 . 2 . 2 74 74 LYS HB3 H 1 1.381 0.050 . . . . . . B 1794 LYS HB3 . 19610 1 1298 . 2 . 2 74 74 LYS HG2 H 1 1.116 0.050 . . . . . . B 1794 LYS HG2 . 19610 1 1299 . 2 . 2 74 74 LYS HG3 H 1 1.242 0.050 . . . . . . B 1794 LYS HG3 . 19610 1 1300 . 2 . 2 74 74 LYS HD2 H 1 1.525 0.050 . . . . . . B 1794 LYS HD2 . 19610 1 1301 . 2 . 2 74 74 LYS HE2 H 1 2.848 0.050 . . . . . . B 1794 LYS HE2 . 19610 1 1302 . 2 . 2 74 74 LYS C C 13 176.598 0.500 . . . . . . B 1794 LYS C . 19610 1 1303 . 2 . 2 74 74 LYS CA C 13 58.086 0.500 . . . . . . B 1794 LYS CA . 19610 1 1304 . 2 . 2 74 74 LYS CB C 13 32.421 0.500 . . . . . . B 1794 LYS CB . 19610 1 1305 . 2 . 2 74 74 LYS CG C 13 24.476 0.500 . . . . . . B 1794 LYS CG . 19610 1 1306 . 2 . 2 74 74 LYS CD C 13 28.902 0.500 . . . . . . B 1794 LYS CD . 19610 1 1307 . 2 . 2 74 74 LYS CE C 13 41.995 0.500 . . . . . . B 1794 LYS CE . 19610 1 1308 . 2 . 2 74 74 LYS N N 15 114.506 0.500 . . . . . . B 1794 LYS N . 19610 1 1309 . 2 . 2 75 75 HIS H H 1 7.054 0.050 . . . . . . B 1795 HIS H . 19610 1 1310 . 2 . 2 75 75 HIS HA H 1 4.753 0.050 . . . . . . B 1795 HIS HA . 19610 1 1311 . 2 . 2 75 75 HIS HB2 H 1 3.351 0.050 . . . . . . B 1795 HIS HB2 . 19610 1 1312 . 2 . 2 75 75 HIS HB3 H 1 2.816 0.050 . . . . . . B 1795 HIS HB3 . 19610 1 1313 . 2 . 2 75 75 HIS HD2 H 1 6.979 0.050 . . . . . . B 1795 HIS HD2 . 19610 1 1314 . 2 . 2 75 75 HIS HE1 H 1 7.890 0.050 . . . . . . B 1795 HIS HE1 . 19610 1 1315 . 2 . 2 75 75 HIS C C 13 173.647 0.500 . . . . . . B 1795 HIS C . 19610 1 1316 . 2 . 2 75 75 HIS CA C 13 54.472 0.500 . . . . . . B 1795 HIS CA . 19610 1 1317 . 2 . 2 75 75 HIS CB C 13 30.436 0.500 . . . . . . B 1795 HIS CB . 19610 1 1318 . 2 . 2 75 75 HIS CD2 C 13 121.173 0.500 . . . . . . B 1795 HIS CD2 . 19610 1 1319 . 2 . 2 75 75 HIS CE1 C 13 137.583 0.500 . . . . . . B 1795 HIS CE1 . 19610 1 1320 . 2 . 2 75 75 HIS N N 15 112.933 0.500 . . . . . . B 1795 HIS N . 19610 1 1321 . 2 . 2 76 76 CYS H H 1 6.992 0.050 . . . . . . B 1796 CYS H . 19610 1 1322 . 2 . 2 76 76 CYS HA H 1 4.057 0.050 . . . . . . B 1796 CYS HA . 19610 1 1323 . 2 . 2 76 76 CYS HB2 H 1 2.420 0.050 . . . . . . B 1796 CYS HB2 . 19610 1 1324 . 2 . 2 76 76 CYS HB3 H 1 1.737 0.050 . . . . . . B 1796 CYS HB3 . 19610 1 1325 . 2 . 2 76 76 CYS C C 13 175.998 0.500 . . . . . . B 1796 CYS C . 19610 1 1326 . 2 . 2 76 76 CYS CA C 13 60.186 0.500 . . . . . . B 1796 CYS CA . 19610 1 1327 . 2 . 2 76 76 CYS CB C 13 30.030 0.500 . . . . . . B 1796 CYS CB . 19610 1 1328 . 2 . 2 76 76 CYS N N 15 123.471 0.500 . . . . . . B 1796 CYS N . 19610 1 1329 . 2 . 2 77 77 GLN H H 1 9.150 0.050 . . . . . . B 1797 GLN H . 19610 1 1330 . 2 . 2 77 77 GLN HA H 1 4.629 0.050 . . . . . . B 1797 GLN HA . 19610 1 1331 . 2 . 2 77 77 GLN HB2 H 1 2.384 0.050 . . . . . . B 1797 GLN HB2 . 19610 1 1332 . 2 . 2 77 77 GLN HB3 H 1 1.781 0.050 . . . . . . B 1797 GLN HB3 . 19610 1 1333 . 2 . 2 77 77 GLN HG2 H 1 2.294 0.050 . . . . . . B 1797 GLN HG2 . 19610 1 1334 . 2 . 2 77 77 GLN HE21 H 1 7.414 0.050 . . . . . . B 1797 GLN HE21 . 19610 1 1335 . 2 . 2 77 77 GLN HE22 H 1 6.814 0.050 . . . . . . B 1797 GLN HE22 . 19610 1 1336 . 2 . 2 77 77 GLN C C 13 175.498 0.500 . . . . . . B 1797 GLN C . 19610 1 1337 . 2 . 2 77 77 GLN CA C 13 54.578 0.500 . . . . . . B 1797 GLN CA . 19610 1 1338 . 2 . 2 77 77 GLN CB C 13 29.324 0.500 . . . . . . B 1797 GLN CB . 19610 1 1339 . 2 . 2 77 77 GLN CG C 13 33.653 0.500 . . . . . . B 1797 GLN CG . 19610 1 1340 . 2 . 2 77 77 GLN N N 15 128.412 0.500 . . . . . . B 1797 GLN N . 19610 1 1341 . 2 . 2 77 77 GLN NE2 N 15 112.494 0.500 . . . . . . B 1797 GLN NE2 . 19610 1 1342 . 2 . 2 78 78 GLU H H 1 8.260 0.050 . . . . . . B 1798 GLU H . 19610 1 1343 . 2 . 2 78 78 GLU HA H 1 4.326 0.050 . . . . . . B 1798 GLU HA . 19610 1 1344 . 2 . 2 78 78 GLU HB2 H 1 1.896 0.050 . . . . . . B 1798 GLU HB2 . 19610 1 1345 . 2 . 2 78 78 GLU HB3 H 1 1.959 0.050 . . . . . . B 1798 GLU HB3 . 19610 1 1346 . 2 . 2 78 78 GLU HG2 H 1 2.343 0.050 . . . . . . B 1798 GLU HG2 . 19610 1 1347 . 2 . 2 78 78 GLU C C 13 176.553 0.500 . . . . . . B 1798 GLU C . 19610 1 1348 . 2 . 2 78 78 GLU CA C 13 55.835 0.500 . . . . . . B 1798 GLU CA . 19610 1 1349 . 2 . 2 78 78 GLU CB C 13 30.326 0.500 . . . . . . B 1798 GLU CB . 19610 1 1350 . 2 . 2 78 78 GLU CG C 13 35.798 0.500 . . . . . . B 1798 GLU CG . 19610 1 1351 . 2 . 2 78 78 GLU N N 15 122.866 0.500 . . . . . . B 1798 GLU N . 19610 1 1352 . 2 . 2 79 79 ASN H H 1 8.951 0.050 . . . . . . B 1799 ASN H . 19610 1 1353 . 2 . 2 79 79 ASN HA H 1 4.458 0.050 . . . . . . B 1799 ASN HA . 19610 1 1354 . 2 . 2 79 79 ASN HB2 H 1 2.806 0.050 . . . . . . B 1799 ASN HB2 . 19610 1 1355 . 2 . 2 79 79 ASN HB3 H 1 2.751 0.050 . . . . . . B 1799 ASN HB3 . 19610 1 1356 . 2 . 2 79 79 ASN HD21 H 1 6.992 0.050 . . . . . . B 1799 ASN HD21 . 19610 1 1357 . 2 . 2 79 79 ASN HD22 H 1 7.642 0.050 . . . . . . B 1799 ASN HD22 . 19610 1 1358 . 2 . 2 79 79 ASN C C 13 175.663 0.500 . . . . . . B 1799 ASN C . 19610 1 1359 . 2 . 2 79 79 ASN CA C 13 54.953 0.500 . . . . . . B 1799 ASN CA . 19610 1 1360 . 2 . 2 79 79 ASN CB C 13 38.501 0.500 . . . . . . B 1799 ASN CB . 19610 1 1361 . 2 . 2 79 79 ASN N N 15 125.605 0.500 . . . . . . B 1799 ASN N . 19610 1 1362 . 2 . 2 79 79 ASN ND2 N 15 112.472 0.500 . . . . . . B 1799 ASN ND2 . 19610 1 1363 . 2 . 2 80 80 LYS H H 1 8.772 0.050 . . . . . . B 1800 LYS H . 19610 1 1364 . 2 . 2 80 80 LYS HA H 1 4.329 0.050 . . . . . . B 1800 LYS HA . 19610 1 1365 . 2 . 2 80 80 LYS HB2 H 1 1.860 0.050 . . . . . . B 1800 LYS HB2 . 19610 1 1366 . 2 . 2 80 80 LYS HB3 H 1 1.596 0.050 . . . . . . B 1800 LYS HB3 . 19610 1 1367 . 2 . 2 80 80 LYS HG2 H 1 1.255 0.050 . . . . . . B 1800 LYS HG2 . 19610 1 1368 . 2 . 2 80 80 LYS HG3 H 1 1.317 0.050 . . . . . . B 1800 LYS HG3 . 19610 1 1369 . 2 . 2 80 80 LYS HD2 H 1 1.635 0.050 . . . . . . B 1800 LYS HD2 . 19610 1 1370 . 2 . 2 80 80 LYS HD3 H 1 1.591 0.050 . . . . . . B 1800 LYS HD3 . 19610 1 1371 . 2 . 2 80 80 LYS HE2 H 1 2.925 0.050 . . . . . . B 1800 LYS HE2 . 19610 1 1372 . 2 . 2 80 80 LYS C C 13 174.878 0.500 . . . . . . B 1800 LYS C . 19610 1 1373 . 2 . 2 80 80 LYS CA C 13 54.628 0.500 . . . . . . B 1800 LYS CA . 19610 1 1374 . 2 . 2 80 80 LYS CB C 13 30.812 0.500 . . . . . . B 1800 LYS CB . 19610 1 1375 . 2 . 2 80 80 LYS CG C 13 24.692 0.500 . . . . . . B 1800 LYS CG . 19610 1 1376 . 2 . 2 80 80 LYS CD C 13 29.091 0.500 . . . . . . B 1800 LYS CD . 19610 1 1377 . 2 . 2 80 80 LYS CE C 13 42.100 0.500 . . . . . . B 1800 LYS CE . 19610 1 1378 . 2 . 2 80 80 LYS N N 15 120.753 0.500 . . . . . . B 1800 LYS N . 19610 1 1379 . 2 . 2 81 81 CYS H H 1 7.072 0.050 . . . . . . B 1801 CYS H . 19610 1 1380 . 2 . 2 81 81 CYS HA H 1 4.221 0.050 . . . . . . B 1801 CYS HA . 19610 1 1381 . 2 . 2 81 81 CYS HB2 H 1 2.791 0.050 . . . . . . B 1801 CYS HB2 . 19610 1 1382 . 2 . 2 81 81 CYS HB3 H 1 2.923 0.050 . . . . . . B 1801 CYS HB3 . 19610 1 1383 . 2 . 2 81 81 CYS CA C 13 57.864 0.500 . . . . . . B 1801 CYS CA . 19610 1 1384 . 2 . 2 81 81 CYS CB C 13 30.595 0.500 . . . . . . B 1801 CYS CB . 19610 1 1385 . 2 . 2 81 81 CYS N N 15 123.856 0.500 . . . . . . B 1801 CYS N . 19610 1 1386 . 2 . 2 82 82 PRO HA H 1 4.632 0.050 . . . . . . B 1802 PRO HA . 19610 1 1387 . 2 . 2 82 82 PRO HB2 H 1 2.334 0.050 . . . . . . B 1802 PRO HB2 . 19610 1 1388 . 2 . 2 82 82 PRO HB3 H 1 2.010 0.050 . . . . . . B 1802 PRO HB3 . 19610 1 1389 . 2 . 2 82 82 PRO HG2 H 1 1.637 0.050 . . . . . . B 1802 PRO HG2 . 19610 1 1390 . 2 . 2 82 82 PRO HG3 H 1 2.002 0.050 . . . . . . B 1802 PRO HG3 . 19610 1 1391 . 2 . 2 82 82 PRO HD2 H 1 3.815 0.050 . . . . . . B 1802 PRO HD2 . 19610 1 1392 . 2 . 2 82 82 PRO HD3 H 1 4.123 0.050 . . . . . . B 1802 PRO HD3 . 19610 1 1393 . 2 . 2 82 82 PRO C C 13 176.736 0.500 . . . . . . B 1802 PRO C . 19610 1 1394 . 2 . 2 82 82 PRO CA C 13 62.869 0.500 . . . . . . B 1802 PRO CA . 19610 1 1395 . 2 . 2 82 82 PRO CB C 13 32.074 0.500 . . . . . . B 1802 PRO CB . 19610 1 1396 . 2 . 2 82 82 PRO CG C 13 26.569 0.500 . . . . . . B 1802 PRO CG . 19610 1 1397 . 2 . 2 82 82 PRO CD C 13 51.291 0.500 . . . . . . B 1802 PRO CD . 19610 1 1398 . 2 . 2 83 83 VAL H H 1 9.042 0.050 . . . . . . B 1803 VAL H . 19610 1 1399 . 2 . 2 83 83 VAL HA H 1 3.491 0.050 . . . . . . B 1803 VAL HA . 19610 1 1400 . 2 . 2 83 83 VAL HB H 1 2.158 0.050 . . . . . . B 1803 VAL HB . 19610 1 1401 . 2 . 2 83 83 VAL HG11 H 1 0.613 0.050 . . . . . . B 1803 VAL HG11 . 19610 1 1402 . 2 . 2 83 83 VAL HG12 H 1 0.613 0.050 . . . . . . B 1803 VAL HG12 . 19610 1 1403 . 2 . 2 83 83 VAL HG13 H 1 0.613 0.050 . . . . . . B 1803 VAL HG13 . 19610 1 1404 . 2 . 2 83 83 VAL HG21 H 1 0.379 0.050 . . . . . . B 1803 VAL HG21 . 19610 1 1405 . 2 . 2 83 83 VAL HG22 H 1 0.379 0.050 . . . . . . B 1803 VAL HG22 . 19610 1 1406 . 2 . 2 83 83 VAL HG23 H 1 0.379 0.050 . . . . . . B 1803 VAL HG23 . 19610 1 1407 . 2 . 2 83 83 VAL CA C 13 62.379 0.500 . . . . . . B 1803 VAL CA . 19610 1 1408 . 2 . 2 83 83 VAL CB C 13 31.476 0.500 . . . . . . B 1803 VAL CB . 19610 1 1409 . 2 . 2 83 83 VAL CG1 C 13 19.741 0.500 . . . . . . B 1803 VAL CG1 . 19610 1 1410 . 2 . 2 83 83 VAL CG2 C 13 24.058 0.500 . . . . . . B 1803 VAL CG2 . 19610 1 1411 . 2 . 2 83 83 VAL N N 15 128.026 0.500 . . . . . . B 1803 VAL N . 19610 1 1412 . 2 . 2 84 84 PRO HA H 1 3.917 0.050 . . . . . . B 1804 PRO HA . 19610 1 1413 . 2 . 2 84 84 PRO HB2 H 1 1.844 0.050 . . . . . . B 1804 PRO HB2 . 19610 1 1414 . 2 . 2 84 84 PRO HB3 H 1 1.647 0.050 . . . . . . B 1804 PRO HB3 . 19610 1 1415 . 2 . 2 84 84 PRO HG3 H 1 1.904 0.050 . . . . . . B 1804 PRO HG3 . 19610 1 1416 . 2 . 2 84 84 PRO HD2 H 1 3.976 0.050 . . . . . . B 1804 PRO HD2 . 19610 1 1417 . 2 . 2 84 84 PRO HD3 H 1 3.363 0.050 . . . . . . B 1804 PRO HD3 . 19610 1 1418 . 2 . 2 84 84 PRO CB C 13 31.605 0.500 . . . . . . B 1804 PRO CB . 19610 1 1419 . 2 . 2 84 84 PRO CG C 13 28.446 0.500 . . . . . . B 1804 PRO CG . 19610 1 1420 . 2 . 2 84 84 PRO CD C 13 50.419 0.500 . . . . . . B 1804 PRO CD . 19610 1 1421 . 2 . 2 85 85 PHE HA H 1 4.163 0.050 . . . . . . B 1805 PHE HA . 19610 1 1422 . 2 . 2 85 85 PHE HB2 H 1 3.198 0.050 . . . . . . B 1805 PHE HB2 . 19610 1 1423 . 2 . 2 85 85 PHE HB3 H 1 3.479 0.050 . . . . . . B 1805 PHE HB3 . 19610 1 1424 . 2 . 2 85 85 PHE HD1 H 1 7.042 0.050 . . . . . . B 1805 PHE HD1 . 19610 1 1425 . 2 . 2 85 85 PHE HD2 H 1 7.042 0.050 . . . . . . B 1805 PHE HD2 . 19610 1 1426 . 2 . 2 85 85 PHE HE1 H 1 7.289 0.050 . . . . . . B 1805 PHE HE1 . 19610 1 1427 . 2 . 2 85 85 PHE HE2 H 1 7.289 0.050 . . . . . . B 1805 PHE HE2 . 19610 1 1428 . 2 . 2 85 85 PHE HZ H 1 7.335 0.050 . . . . . . B 1805 PHE HZ . 19610 1 1429 . 2 . 2 85 85 PHE C C 13 175.241 0.500 . . . . . . B 1805 PHE C . 19610 1 1430 . 2 . 2 85 85 PHE CA C 13 60.352 0.500 . . . . . . B 1805 PHE CA . 19610 1 1431 . 2 . 2 85 85 PHE CB C 13 37.130 0.500 . . . . . . B 1805 PHE CB . 19610 1 1432 . 2 . 2 85 85 PHE CD1 C 13 131.898 0.500 . . . . . . B 1805 PHE CD1 . 19610 1 1433 . 2 . 2 85 85 PHE CD2 C 13 131.898 0.500 . . . . . . B 1805 PHE CD2 . 19610 1 1434 . 2 . 2 85 85 PHE CE1 C 13 131.159 0.500 . . . . . . B 1805 PHE CE1 . 19610 1 1435 . 2 . 2 85 85 PHE CE2 C 13 131.159 0.500 . . . . . . B 1805 PHE CE2 . 19610 1 1436 . 2 . 2 85 85 PHE CZ C 13 129.190 0.500 . . . . . . B 1805 PHE CZ . 19610 1 1437 . 2 . 2 86 86 CYS H H 1 7.740 0.050 . . . . . . B 1806 CYS H . 19610 1 1438 . 2 . 2 86 86 CYS HA H 1 3.992 0.050 . . . . . . B 1806 CYS HA . 19610 1 1439 . 2 . 2 86 86 CYS HB2 H 1 3.174 0.050 . . . . . . B 1806 CYS HB2 . 19610 1 1440 . 2 . 2 86 86 CYS HB3 H 1 2.708 0.050 . . . . . . B 1806 CYS HB3 . 19610 1 1441 . 2 . 2 86 86 CYS CA C 13 64.445 0.500 . . . . . . B 1806 CYS CA . 19610 1 1442 . 2 . 2 86 86 CYS CB C 13 29.662 0.500 . . . . . . B 1806 CYS CB . 19610 1 1443 . 2 . 2 86 86 CYS N N 15 124.119 0.500 . . . . . . B 1806 CYS N . 19610 1 1444 . 2 . 2 87 87 LEU H H 1 8.137 0.050 . . . . . . B 1807 LEU H . 19610 1 1445 . 2 . 2 87 87 LEU HA H 1 4.046 0.050 . . . . . . B 1807 LEU HA . 19610 1 1446 . 2 . 2 87 87 LEU HB2 H 1 1.505 0.050 . . . . . . B 1807 LEU HB2 . 19610 1 1447 . 2 . 2 87 87 LEU HB3 H 1 1.693 0.050 . . . . . . B 1807 LEU HB3 . 19610 1 1448 . 2 . 2 87 87 LEU HG H 1 1.709 0.050 . . . . . . B 1807 LEU HG . 19610 1 1449 . 2 . 2 87 87 LEU HD11 H 1 0.881 0.050 . . . . . . B 1807 LEU HD11 . 19610 1 1450 . 2 . 2 87 87 LEU HD12 H 1 0.881 0.050 . . . . . . B 1807 LEU HD12 . 19610 1 1451 . 2 . 2 87 87 LEU HD13 H 1 0.881 0.050 . . . . . . B 1807 LEU HD13 . 19610 1 1452 . 2 . 2 87 87 LEU HD21 H 1 0.895 0.050 . . . . . . B 1807 LEU HD21 . 19610 1 1453 . 2 . 2 87 87 LEU HD22 H 1 0.895 0.050 . . . . . . B 1807 LEU HD22 . 19610 1 1454 . 2 . 2 87 87 LEU HD23 H 1 0.895 0.050 . . . . . . B 1807 LEU HD23 . 19610 1 1455 . 2 . 2 87 87 LEU C C 13 178.697 0.500 . . . . . . B 1807 LEU C . 19610 1 1456 . 2 . 2 87 87 LEU CA C 13 57.678 0.500 . . . . . . B 1807 LEU CA . 19610 1 1457 . 2 . 2 87 87 LEU CB C 13 41.352 0.500 . . . . . . B 1807 LEU CB . 19610 1 1458 . 2 . 2 87 87 LEU CG C 13 27.117 0.500 . . . . . . B 1807 LEU CG . 19610 1 1459 . 2 . 2 87 87 LEU CD1 C 13 23.847 0.500 . . . . . . B 1807 LEU CD1 . 19610 1 1460 . 2 . 2 87 87 LEU CD2 C 13 25.122 0.500 . . . . . . B 1807 LEU CD2 . 19610 1 1461 . 2 . 2 87 87 LEU N N 15 116.071 0.500 . . . . . . B 1807 LEU N . 19610 1 1462 . 2 . 2 88 88 ASN H H 1 7.810 0.050 . . . . . . B 1808 ASN H . 19610 1 1463 . 2 . 2 88 88 ASN HA H 1 4.442 0.050 . . . . . . B 1808 ASN HA . 19610 1 1464 . 2 . 2 88 88 ASN HB2 H 1 2.832 0.050 . . . . . . B 1808 ASN HB2 . 19610 1 1465 . 2 . 2 88 88 ASN HB3 H 1 2.883 0.050 . . . . . . B 1808 ASN HB3 . 19610 1 1466 . 2 . 2 88 88 ASN HD21 H 1 7.746 0.050 . . . . . . B 1808 ASN HD21 . 19610 1 1467 . 2 . 2 88 88 ASN HD22 H 1 7.004 0.050 . . . . . . B 1808 ASN HD22 . 19610 1 1468 . 2 . 2 88 88 ASN C C 13 177.013 0.500 . . . . . . B 1808 ASN C . 19610 1 1469 . 2 . 2 88 88 ASN CA C 13 55.740 0.500 . . . . . . B 1808 ASN CA . 19610 1 1470 . 2 . 2 88 88 ASN CB C 13 38.864 0.500 . . . . . . B 1808 ASN CB . 19610 1 1471 . 2 . 2 88 88 ASN N N 15 115.718 0.500 . . . . . . B 1808 ASN N . 19610 1 1472 . 2 . 2 88 88 ASN ND2 N 15 111.981 0.500 . . . . . . B 1808 ASN ND2 . 19610 1 1473 . 2 . 2 89 89 ILE H H 1 8.212 0.050 . . . . . . B 1809 ILE H . 19610 1 1474 . 2 . 2 89 89 ILE HA H 1 3.845 0.050 . . . . . . B 1809 ILE HA . 19610 1 1475 . 2 . 2 89 89 ILE HB H 1 1.942 0.050 . . . . . . B 1809 ILE HB . 19610 1 1476 . 2 . 2 89 89 ILE HG12 H 1 1.662 0.050 . . . . . . B 1809 ILE HG12 . 19610 1 1477 . 2 . 2 89 89 ILE HG13 H 1 1.159 0.050 . . . . . . B 1809 ILE HG13 . 19610 1 1478 . 2 . 2 89 89 ILE HG21 H 1 0.853 0.050 . . . . . . B 1809 ILE HG21 . 19610 1 1479 . 2 . 2 89 89 ILE HG22 H 1 0.853 0.050 . . . . . . B 1809 ILE HG22 . 19610 1 1480 . 2 . 2 89 89 ILE HG23 H 1 0.853 0.050 . . . . . . B 1809 ILE HG23 . 19610 1 1481 . 2 . 2 89 89 ILE HD11 H 1 0.766 0.050 . . . . . . B 1809 ILE HD11 . 19610 1 1482 . 2 . 2 89 89 ILE HD12 H 1 0.766 0.050 . . . . . . B 1809 ILE HD12 . 19610 1 1483 . 2 . 2 89 89 ILE HD13 H 1 0.766 0.050 . . . . . . B 1809 ILE HD13 . 19610 1 1484 . 2 . 2 89 89 ILE C C 13 177.784 0.500 . . . . . . B 1809 ILE C . 19610 1 1485 . 2 . 2 89 89 ILE CA C 13 63.432 0.500 . . . . . . B 1809 ILE CA . 19610 1 1486 . 2 . 2 89 89 ILE CB C 13 38.375 0.500 . . . . . . B 1809 ILE CB . 19610 1 1487 . 2 . 2 89 89 ILE CG1 C 13 28.533 0.500 . . . . . . B 1809 ILE CG1 . 19610 1 1488 . 2 . 2 89 89 ILE CG2 C 13 17.771 0.500 . . . . . . B 1809 ILE CG2 . 19610 1 1489 . 2 . 2 89 89 ILE CD1 C 13 13.526 0.500 . . . . . . B 1809 ILE CD1 . 19610 1 1490 . 2 . 2 89 89 ILE N N 15 120.413 0.500 . . . . . . B 1809 ILE N . 19610 1 1491 . 2 . 2 90 90 LYS H H 1 8.231 0.050 . . . . . . B 1810 LYS H . 19610 1 1492 . 2 . 2 90 90 LYS HA H 1 4.076 0.050 . . . . . . B 1810 LYS HA . 19610 1 1493 . 2 . 2 90 90 LYS HB2 H 1 1.810 0.050 . . . . . . B 1810 LYS HB2 . 19610 1 1494 . 2 . 2 90 90 LYS HG2 H 1 1.816 0.050 . . . . . . B 1810 LYS HG2 . 19610 1 1495 . 2 . 2 90 90 LYS HG3 H 1 1.419 0.050 . . . . . . B 1810 LYS HG3 . 19610 1 1496 . 2 . 2 90 90 LYS HD2 H 1 1.653 0.050 . . . . . . B 1810 LYS HD2 . 19610 1 1497 . 2 . 2 90 90 LYS HD3 H 1 1.723 0.050 . . . . . . B 1810 LYS HD3 . 19610 1 1498 . 2 . 2 90 90 LYS HE2 H 1 3.298 0.050 . . . . . . B 1810 LYS HE2 . 19610 1 1499 . 2 . 2 90 90 LYS HE3 H 1 3.016 0.050 . . . . . . B 1810 LYS HE3 . 19610 1 1500 . 2 . 2 90 90 LYS C C 13 176.991 0.500 . . . . . . B 1810 LYS C . 19610 1 1501 . 2 . 2 90 90 LYS CA C 13 58.364 0.500 . . . . . . B 1810 LYS CA . 19610 1 1502 . 2 . 2 90 90 LYS CB C 13 32.967 0.500 . . . . . . B 1810 LYS CB . 19610 1 1503 . 2 . 2 90 90 LYS CG C 13 25.448 0.500 . . . . . . B 1810 LYS CG . 19610 1 1504 . 2 . 2 90 90 LYS CD C 13 30.133 0.500 . . . . . . B 1810 LYS CD . 19610 1 1505 . 2 . 2 90 90 LYS CE C 13 42.238 0.500 . . . . . . B 1810 LYS CE . 19610 1 1506 . 2 . 2 90 90 LYS N N 15 120.131 0.500 . . . . . . B 1810 LYS N . 19610 1 1507 . 2 . 2 91 91 GLN H H 1 7.847 0.050 . . . . . . B 1811 GLN H . 19610 1 1508 . 2 . 2 91 91 GLN HA H 1 4.234 0.050 . . . . . . B 1811 GLN HA . 19610 1 1509 . 2 . 2 91 91 GLN HB2 H 1 2.058 0.050 . . . . . . B 1811 GLN HB2 . 19610 1 1510 . 2 . 2 91 91 GLN HB3 H 1 2.137 0.050 . . . . . . B 1811 GLN HB3 . 19610 1 1511 . 2 . 2 91 91 GLN HG2 H 1 2.433 0.050 . . . . . . B 1811 GLN HG2 . 19610 1 1512 . 2 . 2 91 91 GLN HG3 H 1 2.385 0.050 . . . . . . B 1811 GLN HG3 . 19610 1 1513 . 2 . 2 91 91 GLN HE21 H 1 7.612 0.050 . . . . . . B 1811 GLN HE21 . 19610 1 1514 . 2 . 2 91 91 GLN HE22 H 1 6.859 0.050 . . . . . . B 1811 GLN HE22 . 19610 1 1515 . 2 . 2 91 91 GLN C C 13 174.975 0.500 . . . . . . B 1811 GLN C . 19610 1 1516 . 2 . 2 91 91 GLN CA C 13 56.140 0.500 . . . . . . B 1811 GLN CA . 19610 1 1517 . 2 . 2 91 91 GLN CB C 13 28.989 0.500 . . . . . . B 1811 GLN CB . 19610 1 1518 . 2 . 2 91 91 GLN CG C 13 33.996 0.500 . . . . . . B 1811 GLN CG . 19610 1 1519 . 2 . 2 91 91 GLN N N 15 118.978 0.500 . . . . . . B 1811 GLN N . 19610 1 1520 . 2 . 2 91 91 GLN NE2 N 15 112.075 0.500 . . . . . . B 1811 GLN NE2 . 19610 1 1521 . 2 . 2 92 92 LYS H H 1 7.797 0.050 . . . . . . B 1812 LYS H . 19610 1 1522 . 2 . 2 92 92 LYS HA H 1 4.093 0.050 . . . . . . B 1812 LYS HA . 19610 1 1523 . 2 . 2 92 92 LYS HB2 H 1 1.816 0.050 . . . . . . B 1812 LYS HB2 . 19610 1 1524 . 2 . 2 92 92 LYS HB3 H 1 1.727 0.050 . . . . . . B 1812 LYS HB3 . 19610 1 1525 . 2 . 2 92 92 LYS HG2 H 1 1.413 0.050 . . . . . . B 1812 LYS HG2 . 19610 1 1526 . 2 . 2 92 92 LYS HD2 H 1 1.647 0.050 . . . . . . B 1812 LYS HD2 . 19610 1 1527 . 2 . 2 92 92 LYS HE2 H 1 2.965 0.050 . . . . . . B 1812 LYS HE2 . 19610 1 1528 . 2 . 2 92 92 LYS CA C 13 57.860 0.500 . . . . . . B 1812 LYS CA . 19610 1 1529 . 2 . 2 92 92 LYS CB C 13 33.459 0.500 . . . . . . B 1812 LYS CB . 19610 1 1530 . 2 . 2 92 92 LYS CG C 13 24.771 0.500 . . . . . . B 1812 LYS CG . 19610 1 1531 . 2 . 2 92 92 LYS CD C 13 29.116 0.500 . . . . . . B 1812 LYS CD . 19610 1 1532 . 2 . 2 92 92 LYS CE C 13 42.169 0.500 . . . . . . B 1812 LYS CE . 19610 1 1533 . 2 . 2 92 92 LYS N N 15 127.489 0.500 . . . . . . B 1812 LYS N . 19610 1 stop_ save_