data_30003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30003 _Entry.Title ; Solution Structure of TAZ2-p53AD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-19 _Entry.Accession_date 2016-01-19 _Entry.Last_release_date 2016-03-14 _Entry.Original_release_date 2016-03-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.99 _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 A. Krois A. S. . . 30003 2 J. Ferreon J. C. . . 30003 3 M. Martinez-Yamout M. A. . . 30003 4 H. Dyson H. J. . . 30003 5 P. Wright P. E. . . 30003 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSFERASE . 30003 'binding motif' . 30003 'intrinsically disordered protein' . 30003 'protein-protein interaction' . 30003 'transcriptional coactivator' . 30003 'tumor suppressor' . 30003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 30003 '15N chemical shifts' 122 30003 '1H chemical shifts' 822 30003 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-03-14 2016-02-23 original BMRB . 30003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30002 'Solution Structure of p53TAD-TAZ1' 30003 BMRB 30004 'Solution Structure of TAZ2-p53TAD' 30003 PDB 5HP0 'BMRB Entry Tracking System' 30003 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30003 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Recognition of the Disordered p53 Transactivation Domain by the Transcriptional Adapter Zinc Finger Domains of CREB-Binding Protein ; _Citation.Status . _Citation.Type . _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Krois A. S. . . 30003 1 2 J. Ferreon J. C. . . 30003 1 3 M. Martinez-Yamout M. A. . . 30003 1 4 H. Dyson H. J. . . 30003 1 5 P. Wright P. E. . . 30003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30003 _Assembly.ID 1 _Assembly.Name 'CREB-binding protein,Cellular tumor antigen p53 (E.C.2.3.1.48)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30003 1 2 'entity_ZN, 1' 2 $entity_ZN B B no . . . . . . 30003 1 3 'entity_ZN, 2' 2 $entity_ZN C C no . . . . . . 30003 1 4 'entity_ZN, 3' 2 $entity_ZN D D no . . . . . . 30003 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 entity_1 1 CYS 23 23 SG . 2 'entity ZN, 1' 2 ZN 1 1 ZN . entity_1 . 1786 CYS SG . 'entity ZN, 1' . 2 ZN ZN 30003 1 2 coordination single . 1 entity_1 1 CYS 28 28 SG . 2 'entity ZN, 1' 2 ZN 1 1 ZN . entity_1 . 1791 CYS SG . 'entity ZN, 1' . 2 ZN ZN 30003 1 3 coordination single . 1 entity_1 1 CYS 33 33 SG . 2 'entity ZN, 1' 2 ZN 1 1 ZN . entity_1 . 1796 CYS SG . 'entity ZN, 1' . 2 ZN ZN 30003 1 4 coordination single . 1 entity_1 1 CYS 46 46 SG . 3 'entity ZN, 2' 2 ZN 1 1 ZN . entity_1 . 1809 CYS SG . 'entity ZN, 2' . 3 ZN ZN 30003 1 5 coordination single . 1 entity_1 1 CYS 54 54 SG . 3 'entity ZN, 2' 2 ZN 1 1 ZN . entity_1 . 1817 CYS SG . 'entity ZN, 2' . 3 ZN ZN 30003 1 6 coordination single . 1 entity_1 1 CYS 57 57 SG . 3 'entity ZN, 2' 2 ZN 1 1 ZN . entity_1 . 1820 CYS SG . 'entity ZN, 2' . 3 ZN ZN 30003 1 7 coordination single . 1 entity_1 1 CYS 71 71 SG . 4 'entity ZN, 3' 2 ZN 1 1 ZN . entity_1 . 1834 CYS SG . 'entity ZN, 3' . 4 ZN ZN 30003 1 8 coordination single . 1 entity_1 1 CYS 76 76 SG . 4 'entity ZN, 3' 2 ZN 1 1 ZN . entity_1 . 1839 CYS SG . 'entity ZN, 3' . 4 ZN ZN 30003 1 9 coordination single . 1 entity_1 1 CYS 81 81 SG . 4 'entity ZN, 3' 2 ZN 1 1 ZN . entity_1 . 1844 CYS SG . 'entity ZN, 3' . 4 ZN ZN 30003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CREB-binding protein,Cellular tumor antigen p53 fusion protein' _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 ; SPQESRRLSIQRCIQSLVHA CQCRNANCSLPSCQKMKRVV QHTKGCKRKTNGGCPVCKQL IALCCYHAKHCQENKCPVPF CLNIKHKLRQQQGSGSGSQA MDDLMLSPDDIEQWFTEDPG PD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'p53AD2, TAZ2 domain of CBP' _Entity.Mutation . _Entity.EC_number 2.3.1.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13707.868 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Antigen NY-CO-13' na 30003 1 'Phosphoprotein p53' na 30003 1 'Tumor suppressor p53' na 30003 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1764 SER . 30003 1 2 1765 PRO . 30003 1 3 1766 GLN . 30003 1 4 1767 GLU . 30003 1 5 1768 SER . 30003 1 6 1769 ARG . 30003 1 7 1770 ARG . 30003 1 8 1771 LEU . 30003 1 9 1772 SER . 30003 1 10 1773 ILE . 30003 1 11 1774 GLN . 30003 1 12 1775 ARG . 30003 1 13 1776 CYS . 30003 1 14 1777 ILE . 30003 1 15 1778 GLN . 30003 1 16 1779 SER . 30003 1 17 1780 LEU . 30003 1 18 1781 VAL . 30003 1 19 1782 HIS . 30003 1 20 1783 ALA . 30003 1 21 1784 CYS . 30003 1 22 1785 GLN . 30003 1 23 1786 CYS . 30003 1 24 1787 ARG . 30003 1 25 1788 ASN . 30003 1 26 1789 ALA . 30003 1 27 1790 ASN . 30003 1 28 1791 CYS . 30003 1 29 1792 SER . 30003 1 30 1793 LEU . 30003 1 31 1794 PRO . 30003 1 32 1795 SER . 30003 1 33 1796 CYS . 30003 1 34 1797 GLN . 30003 1 35 1798 LYS . 30003 1 36 1799 MET . 30003 1 37 1800 LYS . 30003 1 38 1801 ARG . 30003 1 39 1802 VAL . 30003 1 40 1803 VAL . 30003 1 41 1804 GLN . 30003 1 42 1805 HIS . 30003 1 43 1806 THR . 30003 1 44 1807 LYS . 30003 1 45 1808 GLY . 30003 1 46 1809 CYS . 30003 1 47 1810 LYS . 30003 1 48 1811 ARG . 30003 1 49 1812 LYS . 30003 1 50 1813 THR . 30003 1 51 1814 ASN . 30003 1 52 1815 GLY . 30003 1 53 1816 GLY . 30003 1 54 1817 CYS . 30003 1 55 1818 PRO . 30003 1 56 1819 VAL . 30003 1 57 1820 CYS . 30003 1 58 1821 LYS . 30003 1 59 1822 GLN . 30003 1 60 1823 LEU . 30003 1 61 1824 ILE . 30003 1 62 1825 ALA . 30003 1 63 1826 LEU . 30003 1 64 1827 CYS . 30003 1 65 1828 CYS . 30003 1 66 1829 TYR . 30003 1 67 1830 HIS . 30003 1 68 1831 ALA . 30003 1 69 1832 LYS . 30003 1 70 1833 HIS . 30003 1 71 1834 CYS . 30003 1 72 1835 GLN . 30003 1 73 1836 GLU . 30003 1 74 1837 ASN . 30003 1 75 1838 LYS . 30003 1 76 1839 CYS . 30003 1 77 1840 PRO . 30003 1 78 1841 VAL . 30003 1 79 1842 PRO . 30003 1 80 1843 PHE . 30003 1 81 1844 CYS . 30003 1 82 1845 LEU . 30003 1 83 1846 ASN . 30003 1 84 1847 ILE . 30003 1 85 1848 LYS . 30003 1 86 1849 HIS . 30003 1 87 1850 LYS . 30003 1 88 1851 LEU . 30003 1 89 1852 ARG . 30003 1 90 1853 GLN . 30003 1 91 1854 GLN . 30003 1 92 1855 GLN . 30003 1 93 2001 GLY . 30003 1 94 2002 SER . 30003 1 95 2003 GLY . 30003 1 96 2004 SER . 30003 1 97 2005 GLY . 30003 1 98 3037 SER . 30003 1 99 3038 GLN . 30003 1 100 3039 ALA . 30003 1 101 3040 MET . 30003 1 102 3041 ASP . 30003 1 103 3042 ASP . 30003 1 104 3043 LEU . 30003 1 105 3044 MET . 30003 1 106 3045 LEU . 30003 1 107 3046 SER . 30003 1 108 3047 PRO . 30003 1 109 3048 ASP . 30003 1 110 3049 ASP . 30003 1 111 3050 ILE . 30003 1 112 3051 GLU . 30003 1 113 3052 GLN . 30003 1 114 3053 TRP . 30003 1 115 3054 PHE . 30003 1 116 3055 THR . 30003 1 117 3056 GLU . 30003 1 118 3057 ASP . 30003 1 119 3058 PRO . 30003 1 120 3059 GLY . 30003 1 121 3060 PRO . 30003 1 122 3061 ASP . 30003 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 . SER 1 1 30003 1 . PRO 2 2 30003 1 . GLN 3 3 30003 1 . GLU 4 4 30003 1 . SER 5 5 30003 1 . ARG 6 6 30003 1 . ARG 7 7 30003 1 . LEU 8 8 30003 1 . SER 9 9 30003 1 . ILE 10 10 30003 1 . GLN 11 11 30003 1 . ARG 12 12 30003 1 . CYS 13 13 30003 1 . ILE 14 14 30003 1 . GLN 15 15 30003 1 . SER 16 16 30003 1 . LEU 17 17 30003 1 . VAL 18 18 30003 1 . HIS 19 19 30003 1 . ALA 20 20 30003 1 . CYS 21 21 30003 1 . GLN 22 22 30003 1 . CYS 23 23 30003 1 . ARG 24 24 30003 1 . ASN 25 25 30003 1 . ALA 26 26 30003 1 . ASN 27 27 30003 1 . CYS 28 28 30003 1 . SER 29 29 30003 1 . LEU 30 30 30003 1 . PRO 31 31 30003 1 . SER 32 32 30003 1 . CYS 33 33 30003 1 . GLN 34 34 30003 1 . LYS 35 35 30003 1 . MET 36 36 30003 1 . LYS 37 37 30003 1 . ARG 38 38 30003 1 . VAL 39 39 30003 1 . VAL 40 40 30003 1 . GLN 41 41 30003 1 . HIS 42 42 30003 1 . THR 43 43 30003 1 . LYS 44 44 30003 1 . GLY 45 45 30003 1 . CYS 46 46 30003 1 . LYS 47 47 30003 1 . ARG 48 48 30003 1 . LYS 49 49 30003 1 . THR 50 50 30003 1 . ASN 51 51 30003 1 . GLY 52 52 30003 1 . GLY 53 53 30003 1 . CYS 54 54 30003 1 . PRO 55 55 30003 1 . VAL 56 56 30003 1 . CYS 57 57 30003 1 . LYS 58 58 30003 1 . GLN 59 59 30003 1 . LEU 60 60 30003 1 . ILE 61 61 30003 1 . ALA 62 62 30003 1 . LEU 63 63 30003 1 . CYS 64 64 30003 1 . CYS 65 65 30003 1 . TYR 66 66 30003 1 . HIS 67 67 30003 1 . ALA 68 68 30003 1 . LYS 69 69 30003 1 . HIS 70 70 30003 1 . CYS 71 71 30003 1 . GLN 72 72 30003 1 . GLU 73 73 30003 1 . ASN 74 74 30003 1 . LYS 75 75 30003 1 . CYS 76 76 30003 1 . PRO 77 77 30003 1 . VAL 78 78 30003 1 . PRO 79 79 30003 1 . PHE 80 80 30003 1 . CYS 81 81 30003 1 . LEU 82 82 30003 1 . ASN 83 83 30003 1 . ILE 84 84 30003 1 . LYS 85 85 30003 1 . HIS 86 86 30003 1 . LYS 87 87 30003 1 . LEU 88 88 30003 1 . ARG 89 89 30003 1 . GLN 90 90 30003 1 . GLN 91 91 30003 1 . GLN 92 92 30003 1 . GLY 93 93 30003 1 . SER 94 94 30003 1 . GLY 95 95 30003 1 . SER 96 96 30003 1 . GLY 97 97 30003 1 . SER 98 98 30003 1 . GLN 99 99 30003 1 . ALA 100 100 30003 1 . MET 101 101 30003 1 . ASP 102 102 30003 1 . ASP 103 103 30003 1 . LEU 104 104 30003 1 . MET 105 105 30003 1 . LEU 106 106 30003 1 . SER 107 107 30003 1 . PRO 108 108 30003 1 . ASP 109 109 30003 1 . ASP 110 110 30003 1 . ILE 111 111 30003 1 . GLU 112 112 30003 1 . GLN 113 113 30003 1 . TRP 114 114 30003 1 . PHE 115 115 30003 1 . THR 116 116 30003 1 . GLU 117 117 30003 1 . ASP 118 118 30003 1 . PRO 119 119 30003 1 . GLY 120 120 30003 1 . PRO 121 121 30003 1 . ASP 122 122 30003 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30003 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30003 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 30003 2 ZN 'Three letter code' 30003 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 30003 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 30003 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Crebbp, Cbp' . 30003 1 2 1 $entity_1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TP53, P53' . 30003 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 30003 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 (DE3) [DNAY]' . . . . . . . . . 30003 1 2 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 (DE3) [DNAY]' . . . . . . . . . 30003 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 30003 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 30003 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30003 ZN [Zn++] SMILES CACTVS 3.341 30003 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30003 ZN [Zn+2] SMILES ACDLabs 10.04 30003 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30003 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30003 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 30003 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30003 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30003 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30003 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 10 . . % . . . . 30003 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30003 1 3 TAZ2-p53AD2 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30003 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30003 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30003 1 6 H2O [U-2H] . . . . . . 90 . . % . . . . 30003 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30003 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% D2O, 1% H2O' _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 D2O [U-2H] . . . . . . 99 . . % . . . . 30003 2 2 DTT [U-2H] . . . . . . 2 . . mM . . . . 30003 2 3 TAZ2-p53AD2 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30003 2 4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 30003 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30003 2 6 H2O [U-2H] . . . . . . 1 . . % . . . . 30003 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30003 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 5 . . % . . . . 30003 3 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30003 3 3 TAZ2-p53AD2 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30003 3 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30003 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30003 3 6 H2O [U-2H] . . . . . . 95 . . % . . . . 30003 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30003 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-13C] TAZ2, 1 mM p53AD2(38-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 5 % [U-2H] D2O, 99% D2O, 1% H2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% D2O, 1% H2O' _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 D2O [U-2H] . . . . . . 5 . . % . . . . 30003 4 2 DTT [U-2H] . . . . . . 2 . . mM . . . . 30003 4 3 TAZ2 [U-13C] . . 1 $entity_1 . . 1 . . mM . . . . 30003 4 4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 30003 4 5 p53AD2(38-61) 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30003 4 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30003 4 7 H2O [U-2H] . . . . . . 95 . . % . . . . 30003 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30003 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C] p53AD2, 1 mM TAZ2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99% D2O, 1% H2O' _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 D2O [U-2H] . . . . . . 99 . . % . . . . 30003 5 2 DTT [U-2H] . . . . . . 2 . . mM . . . . 30003 5 3 TAZ2 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30003 5 4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 30003 5 5 p53AD2 [U-13C] . . 1 $entity_1 . . 1 . . mM . . . . 30003 5 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30003 5 7 H2O [U-2H] . . . . . . 1 . . % . . . . 30003 5 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 30003 _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' 50 . mM 30003 1 pH 6.8 . pH 30003 1 pressure 1 . atm 30003 1 temperature 305 . K 30003 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30003 _Sample_condition_list.ID 2 _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' 50 . mM 30003 2 pH 6.4 . pD 30003 2 pressure 1 . atm 30003 2 temperature 305 . K 30003 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30003 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . 30003 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30003 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30003 _Software.ID 2 _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' . . 30003 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30003 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30003 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30003 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30003 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30003 _Software.ID 4 _Software.Type . _Software.Name PSVS _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30003 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30003 4 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 30003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 30003 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30003 _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 Bruker Avance . 900 . . . 30003 1 2 spectrometer_2 Bruker DRX . 600 . . . 30003 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 30003 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30003 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30003 1 3 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 30003 1 4 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 30003 1 5 '3D HCCH-COSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 30003 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Referenced using an external DSS sample' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30003 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30003 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30003 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30003 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30003 1 2 '3D 1H-13C NOESY' . . . 30003 1 3 '3D HNCACB' . . . 30003 1 4 '3D HCCH-COSY' . . . 30003 1 5 '3D HCCH-COSY' . . . 30003 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 30003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 SER CA C 13 56.793 . . 1 . . . 1 A 1764 SER CA . 30003 1 2 . 1 1 1 1 SER CB C 13 63.109 . . 1 . . . 1 A 1764 SER CB . 30003 1 3 . 1 1 1 1 SER HA H 1 4.908 . . 1 . . . 1 A 1764 SER HA . 30003 1 4 . 1 1 1 1 SER HB2 H 1 4.055 . . 2 . . . 1 A 1764 SER HB2 . 30003 1 5 . 1 1 1 1 SER HB3 H 1 4.35 . . 2 . . . 1 A 1764 SER HB3 . 30003 1 6 . 1 1 2 2 PRO CA C 13 65.215 . . 1 . . . 1 A 1765 PRO CA . 30003 1 7 . 1 1 2 2 PRO CB C 13 31.7518 . . 1 . . . 1 A 1765 PRO CB . 30003 1 8 . 1 1 2 2 PRO CD C 13 50.9348 . . 1 . . . 1 A 1765 PRO CD . 30003 1 9 . 1 1 2 2 PRO CG C 13 27.5408 . . 1 . . . 1 A 1765 PRO CG . 30003 1 10 . 1 1 2 2 PRO HA H 1 4.433 . . 1 . . . 1 A 1765 PRO HA . 30003 1 11 . 1 1 2 2 PRO HB2 H 1 1.994 . . 2 . . . 1 A 1765 PRO HB2 . 30003 1 12 . 1 1 2 2 PRO HB3 H 1 2.462 . . 2 . . . 1 A 1765 PRO HB3 . 30003 1 13 . 1 1 2 2 PRO HD2 H 1 3.964 . . 2 . . . 1 A 1765 PRO HD2 . 30003 1 14 . 1 1 2 2 PRO HD3 H 1 3.996 . . 2 . . . 1 A 1765 PRO HD3 . 30003 1 15 . 1 1 2 2 PRO HG2 H 1 2.023 . . 2 . . . 1 A 1765 PRO HG2 . 30003 1 16 . 1 1 2 2 PRO HG3 H 1 2.127 . . 2 . . . 1 A 1765 PRO HG3 . 30003 1 17 . 1 1 3 3 GLN CA C 13 59.132 . . 1 . . . 1 A 1766 GLN CA . 30003 1 18 . 1 1 3 3 GLN CB C 13 28.0178 . . 1 . . . 1 A 1766 GLN CB . 30003 1 19 . 1 1 3 3 GLN CG C 13 34.3338 . . 1 . . . 1 A 1766 GLN CG . 30003 1 20 . 1 1 3 3 GLN H H 1 8.436 . . 1 . . . 1 A 1766 GLN H . 30003 1 21 . 1 1 3 3 GLN HA H 1 4.13 . . 1 . . . 1 A 1766 GLN HA . 30003 1 22 . 1 1 3 3 GLN HB2 H 1 2.117 . . 2 . . . 1 A 1766 GLN HB2 . 30003 1 23 . 1 1 3 3 GLN HB3 H 1 2.233 . . 2 . . . 1 A 1766 GLN HB3 . 30003 1 24 . 1 1 3 3 GLN HE21 H 1 6.894 . . 2 . . . 1 A 1766 GLN HE21 . 30003 1 25 . 1 1 3 3 GLN HE22 H 1 7.543 . . 2 . . . 1 A 1766 GLN HE22 . 30003 1 26 . 1 1 3 3 GLN HG2 H 1 2.476 . . 2 . . . 1 A 1766 GLN HG2 . 30003 1 27 . 1 1 3 3 GLN HG3 H 1 2.53 . . 2 . . . 1 A 1766 GLN HG3 . 30003 1 28 . 1 1 3 3 GLN N N 15 117.316 . . 1 . . . 1 A 1766 GLN N . 30003 1 29 . 1 1 3 3 GLN NE2 N 15 111.998 . . 1 . . . 1 A 1766 GLN NE2 . 30003 1 30 . 1 1 4 4 GLU CA C 13 58.664 . . 1 . . . 1 A 1767 GLU CA . 30003 1 31 . 1 1 4 4 GLU CB C 13 29.8888 . . 1 . . . 1 A 1767 GLU CB . 30003 1 32 . 1 1 4 4 GLU CG C 13 36.4398 . . 1 . . . 1 A 1767 GLU CG . 30003 1 33 . 1 1 4 4 GLU H H 1 7.902 . . 1 . . . 1 A 1767 GLU H . 30003 1 34 . 1 1 4 4 GLU HA H 1 4.18 . . 1 . . . 1 A 1767 GLU HA . 30003 1 35 . 1 1 4 4 GLU HB2 H 1 2.105 . . 2 . . . 1 A 1767 GLU HB2 . 30003 1 36 . 1 1 4 4 GLU HB3 H 1 2.18 . . 2 . . . 1 A 1767 GLU HB3 . 30003 1 37 . 1 1 4 4 GLU HG2 H 1 2.364 . . 2 . . . 1 A 1767 GLU HG2 . 30003 1 38 . 1 1 4 4 GLU HG3 H 1 2.364 . . 2 . . . 1 A 1767 GLU HG3 . 30003 1 39 . 1 1 4 4 GLU N N 15 121.605 . . 1 . . . 1 A 1767 GLU N . 30003 1 40 . 1 1 5 5 SER CA C 13 61.238 . . 1 . . . 1 A 1768 SER CA . 30003 1 41 . 1 1 5 5 SER CB C 13 62.642 . . 1 . . . 1 A 1768 SER CB . 30003 1 42 . 1 1 5 5 SER H H 1 8.372 . . 1 . . . 1 A 1768 SER H . 30003 1 43 . 1 1 5 5 SER HA H 1 4.25 . . 1 . . . 1 A 1768 SER HA . 30003 1 44 . 1 1 5 5 SER HB2 H 1 3.965 . . 2 . . . 1 A 1768 SER HB2 . 30003 1 45 . 1 1 5 5 SER HB3 H 1 3.965 . . 2 . . . 1 A 1768 SER HB3 . 30003 1 46 . 1 1 5 5 SER N N 15 115.086 . . 1 . . . 1 A 1768 SER N . 30003 1 47 . 1 1 6 6 ARG CA C 13 58.197 . . 1 . . . 1 A 1769 ARG CA . 30003 1 48 . 1 1 6 6 ARG H H 1 8.086 . . 1 . . . 1 A 1769 ARG H . 30003 1 49 . 1 1 6 6 ARG HA H 1 4.323 . . 1 . . . 1 A 1769 ARG HA . 30003 1 50 . 1 1 6 6 ARG HB2 H 1 1.96 . . 2 . . . 1 A 1769 ARG HB2 . 30003 1 51 . 1 1 6 6 ARG HB3 H 1 1.96 . . 2 . . . 1 A 1769 ARG HB3 . 30003 1 52 . 1 1 6 6 ARG HD2 H 1 2.98 . . 2 . . . 1 A 1769 ARG HD2 . 30003 1 53 . 1 1 6 6 ARG HD3 H 1 3.23 . . 2 . . . 1 A 1769 ARG HD3 . 30003 1 54 . 1 1 6 6 ARG HG2 H 1 1.63 . . 2 . . . 1 A 1769 ARG HG2 . 30003 1 55 . 1 1 6 6 ARG HG3 H 1 1.88 . . 2 . . . 1 A 1769 ARG HG3 . 30003 1 56 . 1 1 6 6 ARG N N 15 122.291 . . 1 . . . 1 A 1769 ARG N . 30003 1 57 . 1 1 7 7 ARG CA C 13 59.834 . . 1 . . . 1 A 1770 ARG CA . 30003 1 58 . 1 1 7 7 ARG CB C 13 30.1228 . . 1 . . . 1 A 1770 ARG CB . 30003 1 59 . 1 1 7 7 ARG CD C 13 43.4578 . . 1 . . . 1 A 1770 ARG CD . 30003 1 60 . 1 1 7 7 ARG CG C 13 27.5498 . . 1 . . . 1 A 1770 ARG CG . 30003 1 61 . 1 1 7 7 ARG H H 1 7.905 . . 1 . . . 1 A 1770 ARG H . 30003 1 62 . 1 1 7 7 ARG HA H 1 3.942 . . 1 . . . 1 A 1770 ARG HA . 30003 1 63 . 1 1 7 7 ARG HB2 H 1 1.983 . . 2 . . . 1 A 1770 ARG HB2 . 30003 1 64 . 1 1 7 7 ARG HB3 H 1 1.983 . . 2 . . . 1 A 1770 ARG HB3 . 30003 1 65 . 1 1 7 7 ARG HD2 H 1 3.253 . . 2 . . . 1 A 1770 ARG HD2 . 30003 1 66 . 1 1 7 7 ARG HD3 H 1 3.253 . . 2 . . . 1 A 1770 ARG HD3 . 30003 1 67 . 1 1 7 7 ARG HG2 H 1 1.61 . . 2 . . . 1 A 1770 ARG HG2 . 30003 1 68 . 1 1 7 7 ARG HG3 H 1 1.802 . . 2 . . . 1 A 1770 ARG HG3 . 30003 1 69 . 1 1 7 7 ARG N N 15 119.375 . . 1 . . . 1 A 1770 ARG N . 30003 1 70 . 1 1 8 8 LEU CA C 13 57.729 . . 1 . . . 1 A 1771 LEU CA . 30003 1 71 . 1 1 8 8 LEU CB C 13 41.5778 . . 1 . . . 1 A 1771 LEU CB . 30003 1 72 . 1 1 8 8 LEU CD1 C 13 23.5546 . . 2 . . . 1 A 1771 LEU CD1 . 30003 1 73 . 1 1 8 8 LEU CD2 C 13 24.9668 . . 2 . . . 1 A 1771 LEU CD2 . 30003 1 74 . 1 1 8 8 LEU CG C 13 27.0728 . . 1 . . . 1 A 1771 LEU CG . 30003 1 75 . 1 1 8 8 LEU H H 1 8.059 . . 1 . . . 1 A 1771 LEU H . 30003 1 76 . 1 1 8 8 LEU HA H 1 4.152 . . 1 . . . 1 A 1771 LEU HA . 30003 1 77 . 1 1 8 8 LEU HB2 H 1 1.641 . . 2 . . . 1 A 1771 LEU HB2 . 30003 1 78 . 1 1 8 8 LEU HB3 H 1 1.864 . . 2 . . . 1 A 1771 LEU HB3 . 30003 1 79 . 1 1 8 8 LEU HD11 H 1 0.912 . . 2 . . . 1 A 1771 LEU HD11 . 30003 1 80 . 1 1 8 8 LEU HD12 H 1 0.912 . . 2 . . . 1 A 1771 LEU HD12 . 30003 1 81 . 1 1 8 8 LEU HD13 H 1 0.912 . . 2 . . . 1 A 1771 LEU HD13 . 30003 1 82 . 1 1 8 8 LEU HD21 H 1 0.967 . . 2 . . . 1 A 1771 LEU HD21 . 30003 1 83 . 1 1 8 8 LEU HD22 H 1 0.967 . . 2 . . . 1 A 1771 LEU HD22 . 30003 1 84 . 1 1 8 8 LEU HD23 H 1 0.967 . . 2 . . . 1 A 1771 LEU HD23 . 30003 1 85 . 1 1 8 8 LEU HG H 1 1.769 . . 1 . . . 1 A 1771 LEU HG . 30003 1 86 . 1 1 8 8 LEU N N 15 119.546 . . 1 . . . 1 A 1771 LEU N . 30003 1 87 . 1 1 9 9 SER CA C 13 61.706 . . 1 . . . 1 A 1772 SER CA . 30003 1 88 . 1 1 9 9 SER CB C 13 62.876 . . 1 . . . 1 A 1772 SER CB . 30003 1 89 . 1 1 9 9 SER H H 1 8.046 . . 1 . . . 1 A 1772 SER H . 30003 1 90 . 1 1 9 9 SER HA H 1 4.218 . . 1 . . . 1 A 1772 SER HA . 30003 1 91 . 1 1 9 9 SER HB2 H 1 3.939 . . 2 . . . 1 A 1772 SER HB2 . 30003 1 92 . 1 1 9 9 SER HB3 H 1 4.059 . . 2 . . . 1 A 1772 SER HB3 . 30003 1 93 . 1 1 9 9 SER N N 15 116.115 . . 1 . . . 1 A 1772 SER N . 30003 1 94 . 1 1 10 10 ILE CA C 13 65.683 . . 1 . . . 1 A 1773 ILE CA . 30003 1 95 . 1 1 10 10 ILE CB C 13 37.8338 . . 1 . . . 1 A 1773 ILE CB . 30003 1 96 . 1 1 10 10 ILE CD1 C 13 13.7286 . . 1 . . . 1 A 1773 ILE CD1 . 30003 1 97 . 1 1 10 10 ILE CG1 C 13 29.6458 . . 1 . . . 1 A 1773 ILE CG1 . 30003 1 98 . 1 1 10 10 ILE CG2 C 13 17.2376 . . 1 . . . 1 A 1773 ILE CG2 . 30003 1 99 . 1 1 10 10 ILE H H 1 8.208 . . 1 . . . 1 A 1773 ILE H . 30003 1 100 . 1 1 10 10 ILE HA H 1 3.449 . . 1 . . . 1 A 1773 ILE HA . 30003 1 101 . 1 1 10 10 ILE HB H 1 1.774 . . 1 . . . 1 A 1773 ILE HB . 30003 1 102 . 1 1 10 10 ILE HD11 H 1 0.557 . . 1 . . . 1 A 1773 ILE HD11 . 30003 1 103 . 1 1 10 10 ILE HD12 H 1 0.557 . . 1 . . . 1 A 1773 ILE HD12 . 30003 1 104 . 1 1 10 10 ILE HD13 H 1 0.557 . . 1 . . . 1 A 1773 ILE HD13 . 30003 1 105 . 1 1 10 10 ILE HG12 H 1 1.601 . . 2 . . . 1 A 1773 ILE HG12 . 30003 1 106 . 1 1 10 10 ILE HG13 H 1 1.601 . . 2 . . . 1 A 1773 ILE HG13 . 30003 1 107 . 1 1 10 10 ILE HG21 H 1 0.49 . . 1 . . . 1 A 1773 ILE HG21 . 30003 1 108 . 1 1 10 10 ILE HG22 H 1 0.49 . . 1 . . . 1 A 1773 ILE HG22 . 30003 1 109 . 1 1 10 10 ILE HG23 H 1 0.49 . . 1 . . . 1 A 1773 ILE HG23 . 30003 1 110 . 1 1 10 10 ILE N N 15 122.634 . . 1 . . . 1 A 1773 ILE N . 30003 1 111 . 1 1 11 11 GLN CA C 13 59.366 . . 1 . . . 1 A 1774 GLN CA . 30003 1 112 . 1 1 11 11 GLN CB C 13 28.0178 . . 1 . . . 1 A 1774 GLN CB . 30003 1 113 . 1 1 11 11 GLN CG C 13 34.0998 . . 1 . . . 1 A 1774 GLN CG . 30003 1 114 . 1 1 11 11 GLN H H 1 8.105 . . 1 . . . 1 A 1774 GLN H . 30003 1 115 . 1 1 11 11 GLN HA H 1 4.027 . . 1 . . . 1 A 1774 GLN HA . 30003 1 116 . 1 1 11 11 GLN HB2 H 1 2.164 . . 2 . . . 1 A 1774 GLN HB2 . 30003 1 117 . 1 1 11 11 GLN HB3 H 1 2.223 . . 2 . . . 1 A 1774 GLN HB3 . 30003 1 118 . 1 1 11 11 GLN HE21 H 1 7.519 . . 2 . . . 1 A 1774 GLN HE21 . 30003 1 119 . 1 1 11 11 GLN HE22 H 1 6.854 . . 2 . . . 1 A 1774 GLN HE22 . 30003 1 120 . 1 1 11 11 GLN HG2 H 1 2.471 . . 2 . . . 1 A 1774 GLN HG2 . 30003 1 121 . 1 1 11 11 GLN HG3 H 1 2.563 . . 2 . . . 1 A 1774 GLN HG3 . 30003 1 122 . 1 1 11 11 GLN N N 15 118.517 . . 1 . . . 1 A 1774 GLN N . 30003 1 123 . 1 1 11 11 GLN NE2 N 15 111.312 . . 1 . . . 1 A 1774 GLN NE2 . 30003 1 124 . 1 1 12 12 ARG CA C 13 58.898 . . 1 . . . 1 A 1775 ARG CA . 30003 1 125 . 1 1 12 12 ARG CB C 13 29.6548 . . 1 . . . 1 A 1775 ARG CB . 30003 1 126 . 1 1 12 12 ARG CD C 13 43.2238 . . 1 . . . 1 A 1775 ARG CD . 30003 1 127 . 1 1 12 12 ARG CG C 13 27.5498 . . 1 . . . 1 A 1775 ARG CG . 30003 1 128 . 1 1 12 12 ARG H H 1 8.263 . . 1 . . . 1 A 1775 ARG H . 30003 1 129 . 1 1 12 12 ARG HA H 1 4.159 . . 1 . . . 1 A 1775 ARG HA . 30003 1 130 . 1 1 12 12 ARG HB2 H 1 1.958 . . 2 . . . 1 A 1775 ARG HB2 . 30003 1 131 . 1 1 12 12 ARG HB3 H 1 1.958 . . 2 . . . 1 A 1775 ARG HB3 . 30003 1 132 . 1 1 12 12 ARG HD2 H 1 3.244 . . 2 . . . 1 A 1775 ARG HD2 . 30003 1 133 . 1 1 12 12 ARG HD3 H 1 3.244 . . 2 . . . 1 A 1775 ARG HD3 . 30003 1 134 . 1 1 12 12 ARG HG2 H 1 1.72 . . 2 . . . 1 A 1775 ARG HG2 . 30003 1 135 . 1 1 12 12 ARG HG3 H 1 1.72 . . 2 . . . 1 A 1775 ARG HG3 . 30003 1 136 . 1 1 12 12 ARG N N 15 119.375 . . 1 . . . 1 A 1775 ARG N . 30003 1 137 . 1 1 13 13 CYS CA C 13 63.343 . . 1 . . . 1 A 1776 CYS CA . 30003 1 138 . 1 1 13 13 CYS CB C 13 26.8478 . . 1 . . . 1 A 1776 CYS CB . 30003 1 139 . 1 1 13 13 CYS H H 1 8.024 . . 1 . . . 1 A 1776 CYS H . 30003 1 140 . 1 1 13 13 CYS HA H 1 4.229 . . 1 . . . 1 A 1776 CYS HA . 30003 1 141 . 1 1 13 13 CYS HB2 H 1 2.813 . . 2 . . . 1 A 1776 CYS HB2 . 30003 1 142 . 1 1 13 13 CYS HB3 H 1 3.164 . . 2 . . . 1 A 1776 CYS HB3 . 30003 1 143 . 1 1 13 13 CYS N N 15 119.889 . . 1 . . . 1 A 1776 CYS N . 30003 1 144 . 1 1 14 14 ILE CA C 13 64.981 . . 1 . . . 1 A 1777 ILE CA . 30003 1 145 . 1 1 14 14 ILE CB C 13 36.8988 . . 1 . . . 1 A 1777 ILE CB . 30003 1 146 . 1 1 14 14 ILE CD1 C 13 13.9626 . . 1 . . . 1 A 1777 ILE CD1 . 30003 1 147 . 1 1 14 14 ILE CG1 C 13 29.6458 . . 1 . . . 1 A 1777 ILE CG1 . 30003 1 148 . 1 1 14 14 ILE CG2 C 13 18.4076 . . 1 . . . 1 A 1777 ILE CG2 . 30003 1 149 . 1 1 14 14 ILE H H 1 8.619 . . 1 . . . 1 A 1777 ILE H . 30003 1 150 . 1 1 14 14 ILE HA H 1 3.77 . . 1 . . . 1 A 1777 ILE HA . 30003 1 151 . 1 1 14 14 ILE HB H 1 2.221 . . 1 . . . 1 A 1777 ILE HB . 30003 1 152 . 1 1 14 14 ILE HD11 H 1 1.041 . . 1 . . . 1 A 1777 ILE HD11 . 30003 1 153 . 1 1 14 14 ILE HD12 H 1 1.041 . . 1 . . . 1 A 1777 ILE HD12 . 30003 1 154 . 1 1 14 14 ILE HD13 H 1 1.041 . . 1 . . . 1 A 1777 ILE HD13 . 30003 1 155 . 1 1 14 14 ILE HG12 H 1 1.31 . . 2 . . . 1 A 1777 ILE HG12 . 30003 1 156 . 1 1 14 14 ILE HG13 H 1 1.924 . . 2 . . . 1 A 1777 ILE HG13 . 30003 1 157 . 1 1 14 14 ILE HG21 H 1 1.14 . . 1 . . . 1 A 1777 ILE HG21 . 30003 1 158 . 1 1 14 14 ILE HG22 H 1 1.14 . . 1 . . . 1 A 1777 ILE HG22 . 30003 1 159 . 1 1 14 14 ILE HG23 H 1 1.14 . . 1 . . . 1 A 1777 ILE HG23 . 30003 1 160 . 1 1 14 14 ILE N N 15 119.889 . . 1 . . . 1 A 1777 ILE N . 30003 1 161 . 1 1 15 15 GLN CA C 13 59.366 . . 1 . . . 1 A 1778 GLN CA . 30003 1 162 . 1 1 15 15 GLN CB C 13 28.0178 . . 1 . . . 1 A 1778 GLN CB . 30003 1 163 . 1 1 15 15 GLN CG C 13 34.3338 . . 1 . . . 1 A 1778 GLN CG . 30003 1 164 . 1 1 15 15 GLN H H 1 8.354 . . 1 . . . 1 A 1778 GLN H . 30003 1 165 . 1 1 15 15 GLN HA H 1 4.118 . . 1 . . . 1 A 1778 GLN HA . 30003 1 166 . 1 1 15 15 GLN HB2 H 1 2.245 . . 2 . . . 1 A 1778 GLN HB2 . 30003 1 167 . 1 1 15 15 GLN HB3 H 1 2.336 . . 2 . . . 1 A 1778 GLN HB3 . 30003 1 168 . 1 1 15 15 GLN HE21 H 1 7.466 . . 2 . . . 1 A 1778 GLN HE21 . 30003 1 169 . 1 1 15 15 GLN HE22 H 1 6.83 . . 2 . . . 1 A 1778 GLN HE22 . 30003 1 170 . 1 1 15 15 GLN HG2 H 1 2.534 . . 2 . . . 1 A 1778 GLN HG2 . 30003 1 171 . 1 1 15 15 GLN HG3 H 1 2.639 . . 2 . . . 1 A 1778 GLN HG3 . 30003 1 172 . 1 1 15 15 GLN N N 15 119.203 . . 1 . . . 1 A 1778 GLN N . 30003 1 173 . 1 1 15 15 GLN NE2 N 15 111.14 . . 1 . . . 1 A 1778 GLN NE2 . 30003 1 174 . 1 1 16 16 SER CA C 13 61.94 . . 1 . . . 1 A 1779 SER CA . 30003 1 175 . 1 1 16 16 SER CB C 13 62.876 . . 1 . . . 1 A 1779 SER CB . 30003 1 176 . 1 1 16 16 SER H H 1 8.1 . . 1 . . . 1 A 1779 SER H . 30003 1 177 . 1 1 16 16 SER HA H 1 4.411 . . 1 . . . 1 A 1779 SER HA . 30003 1 178 . 1 1 16 16 SER HB2 H 1 3.915 . . 2 . . . 1 A 1779 SER HB2 . 30003 1 179 . 1 1 16 16 SER HB3 H 1 4.144 . . 2 . . . 1 A 1779 SER HB3 . 30003 1 180 . 1 1 16 16 SER N N 15 116.458 . . 1 . . . 1 A 1779 SER N . 30003 1 181 . 1 1 17 17 LEU CA C 13 58.664 . . 1 . . . 1 A 1780 LEU CA . 30003 1 182 . 1 1 17 17 LEU CB C 13 42.0448 . . 1 . . . 1 A 1780 LEU CB . 30003 1 183 . 1 1 17 17 LEU CD1 C 13 23.3206 . . 2 . . . 1 A 1780 LEU CD1 . 30003 1 184 . 1 1 17 17 LEU CD2 C 13 26.8388 . . 2 . . . 1 A 1780 LEU CD2 . 30003 1 185 . 1 1 17 17 LEU CG C 13 27.3068 . . 1 . . . 1 A 1780 LEU CG . 30003 1 186 . 1 1 17 17 LEU H H 1 8.12 . . 1 . . . 1 A 1780 LEU H . 30003 1 187 . 1 1 17 17 LEU HA H 1 4.086 . . 1 . . . 1 A 1780 LEU HA . 30003 1 188 . 1 1 17 17 LEU HB2 H 1 1.608 . . 2 . . . 1 A 1780 LEU HB2 . 30003 1 189 . 1 1 17 17 LEU HB3 H 1 2.313 . . 2 . . . 1 A 1780 LEU HB3 . 30003 1 190 . 1 1 17 17 LEU HD11 H 1 0.823 . . 2 . . . 1 A 1780 LEU HD11 . 30003 1 191 . 1 1 17 17 LEU HD12 H 1 0.823 . . 2 . . . 1 A 1780 LEU HD12 . 30003 1 192 . 1 1 17 17 LEU HD13 H 1 0.823 . . 2 . . . 1 A 1780 LEU HD13 . 30003 1 193 . 1 1 17 17 LEU HD21 H 1 0.894 . . 2 . . . 1 A 1780 LEU HD21 . 30003 1 194 . 1 1 17 17 LEU HD22 H 1 0.894 . . 2 . . . 1 A 1780 LEU HD22 . 30003 1 195 . 1 1 17 17 LEU HD23 H 1 0.894 . . 2 . . . 1 A 1780 LEU HD23 . 30003 1 196 . 1 1 17 17 LEU HG H 1 1.481 . . 1 . . . 1 A 1780 LEU HG . 30003 1 197 . 1 1 17 17 LEU N N 15 125.208 . . 1 . . . 1 A 1780 LEU N . 30003 1 198 . 1 1 18 18 VAL CA C 13 67.321 . . 1 . . . 1 A 1781 VAL CA . 30003 1 199 . 1 1 18 18 VAL CB C 13 31.7518 . . 1 . . . 1 A 1781 VAL CB . 30003 1 200 . 1 1 18 18 VAL CG1 C 13 20.9806 . . 2 . . . 1 A 1781 VAL CG1 . 30003 1 201 . 1 1 18 18 VAL CG2 C 13 23.0866 . . 2 . . . 1 A 1781 VAL CG2 . 30003 1 202 . 1 1 18 18 VAL H H 1 8.612 . . 1 . . . 1 A 1781 VAL H . 30003 1 203 . 1 1 18 18 VAL HA H 1 3.287 . . 1 . . . 1 A 1781 VAL HA . 30003 1 204 . 1 1 18 18 VAL HB H 1 2.142 . . 1 . . . 1 A 1781 VAL HB . 30003 1 205 . 1 1 18 18 VAL HG11 H 1 0.925 . . 2 . . . 1 A 1781 VAL HG11 . 30003 1 206 . 1 1 18 18 VAL HG12 H 1 0.925 . . 2 . . . 1 A 1781 VAL HG12 . 30003 1 207 . 1 1 18 18 VAL HG13 H 1 0.925 . . 2 . . . 1 A 1781 VAL HG13 . 30003 1 208 . 1 1 18 18 VAL HG21 H 1 0.974 . . 2 . . . 1 A 1781 VAL HG21 . 30003 1 209 . 1 1 18 18 VAL HG22 H 1 0.974 . . 2 . . . 1 A 1781 VAL HG22 . 30003 1 210 . 1 1 18 18 VAL HG23 H 1 0.974 . . 2 . . . 1 A 1781 VAL HG23 . 30003 1 211 . 1 1 18 18 VAL N N 15 119.203 . . 1 . . . 1 A 1781 VAL N . 30003 1 212 . 1 1 19 19 HIS CA C 13 60.068 . . 1 . . . 1 A 1782 HIS CA . 30003 1 213 . 1 1 19 19 HIS CB C 13 27.7838 . . 1 . . . 1 A 1782 HIS CB . 30003 1 214 . 1 1 19 19 HIS CD2 C 13 129.3164 . . . . . . 1 A 1782 HIS CD2 . 30003 1 215 . 1 1 19 19 HIS CE1 C 13 139.1424 . . 1 . . . 1 A 1782 HIS CE1 . 30003 1 216 . 1 1 19 19 HIS H H 1 7.98 . . 1 . . . 1 A 1782 HIS H . 30003 1 217 . 1 1 19 19 HIS HA H 1 4.221 . . 1 . . . 1 A 1782 HIS HA . 30003 1 218 . 1 1 19 19 HIS HB2 H 1 3.299 . . 2 . . . 1 A 1782 HIS HB2 . 30003 1 219 . 1 1 19 19 HIS HB3 H 1 3.376 . . 2 . . . 1 A 1782 HIS HB3 . 30003 1 220 . 1 1 19 19 HIS HD2 H 1 7.31 . . 1 . . . 1 A 1782 HIS HD2 . 30003 1 221 . 1 1 19 19 HIS HE1 H 1 7.976 . . 1 . . . 1 A 1782 HIS HE1 . 30003 1 222 . 1 1 19 19 HIS N N 15 116.115 . . 1 . . . 1 A 1782 HIS N . 30003 1 223 . 1 1 20 20 ALA CA C 13 55.155 . . 1 . . . 1 A 1783 ALA CA . 30003 1 224 . 1 1 20 20 ALA CB C 13 20.0636 . . 1 . . . 1 A 1783 ALA CB . 30003 1 225 . 1 1 20 20 ALA H H 1 8.524 . . 1 . . . 1 A 1783 ALA H . 30003 1 226 . 1 1 20 20 ALA HA H 1 4.297 . . 1 . . . 1 A 1783 ALA HA . 30003 1 227 . 1 1 20 20 ALA HB1 H 1 1.688 . . 1 . . . 1 A 1783 ALA HB1 . 30003 1 228 . 1 1 20 20 ALA HB2 H 1 1.688 . . 1 . . . 1 A 1783 ALA HB2 . 30003 1 229 . 1 1 20 20 ALA HB3 H 1 1.688 . . 1 . . . 1 A 1783 ALA HB3 . 30003 1 230 . 1 1 20 20 ALA N N 15 121.262 . . 1 . . . 1 A 1783 ALA N . 30003 1 231 . 1 1 21 21 CYS CA C 13 62.174 . . 1 . . . 1 A 1784 CYS CA . 30003 1 232 . 1 1 21 21 CYS CB C 13 26.8478 . . 1 . . . 1 A 1784 CYS CB . 30003 1 233 . 1 1 21 21 CYS H H 1 7.833 . . 1 . . . 1 A 1784 CYS H . 30003 1 234 . 1 1 21 21 CYS HA H 1 4.27 . . 1 . . . 1 A 1784 CYS HA . 30003 1 235 . 1 1 21 21 CYS HB2 H 1 2.782 . . 2 . . . 1 A 1784 CYS HB2 . 30003 1 236 . 1 1 21 21 CYS HB3 H 1 2.931 . . 2 . . . 1 A 1784 CYS HB3 . 30003 1 237 . 1 1 21 21 CYS N N 15 111.655 . . 1 . . . 1 A 1784 CYS N . 30003 1 238 . 1 1 22 22 GLN CA C 13 54.921 . . 1 . . . 1 A 1785 GLN CA . 30003 1 239 . 1 1 22 22 GLN CB C 13 30.8248 . . 1 . . . 1 A 1785 GLN CB . 30003 1 240 . 1 1 22 22 GLN CG C 13 33.6318 . . 1 . . . 1 A 1785 GLN CG . 30003 1 241 . 1 1 22 22 GLN H H 1 7.316 . . 1 . . . 1 A 1785 GLN H . 30003 1 242 . 1 1 22 22 GLN HA H 1 4.511 . . 1 . . . 1 A 1785 GLN HA . 30003 1 243 . 1 1 22 22 GLN HB2 H 1 2.033 . . 2 . . . 1 A 1785 GLN HB2 . 30003 1 244 . 1 1 22 22 GLN HB3 H 1 2.11 . . 2 . . . 1 A 1785 GLN HB3 . 30003 1 245 . 1 1 22 22 GLN HE21 H 1 6.92 . . 2 . . . 1 A 1785 GLN HE21 . 30003 1 246 . 1 1 22 22 GLN HE22 H 1 7.294 . . 2 . . . 1 A 1785 GLN HE22 . 30003 1 247 . 1 1 22 22 GLN HG2 H 1 2.276 . . 2 . . . 1 A 1785 GLN HG2 . 30003 1 248 . 1 1 22 22 GLN HG3 H 1 2.483 . . 2 . . . 1 A 1785 GLN HG3 . 30003 1 249 . 1 1 22 22 GLN N N 15 115.772 . . 1 . . . 1 A 1785 GLN N . 30003 1 250 . 1 1 22 22 GLN NE2 N 15 111.998 . . 1 . . . 1 A 1785 GLN NE2 . 30003 1 251 . 1 1 23 23 CYS CA C 13 60.536 . . 1 . . . 1 A 1786 CYS CA . 30003 1 252 . 1 1 23 23 CYS CB C 13 29.1868 . . 1 . . . 1 A 1786 CYS CB . 30003 1 253 . 1 1 23 23 CYS H H 1 7.221 . . 1 . . . 1 A 1786 CYS H . 30003 1 254 . 1 1 23 23 CYS HA H 1 3.932 . . 1 . . . 1 A 1786 CYS HA . 30003 1 255 . 1 1 23 23 CYS HB2 H 1 2.032 . . 2 . . . 1 A 1786 CYS HB2 . 30003 1 256 . 1 1 23 23 CYS HB3 H 1 2.561 . . 2 . . . 1 A 1786 CYS HB3 . 30003 1 257 . 1 1 23 23 CYS N N 15 124.007 . . 1 . . . 1 A 1786 CYS N . 30003 1 258 . 1 1 24 24 ARG CA C 13 54.4538 . . 1 . . . 1 A 1787 ARG CA . 30003 1 259 . 1 1 24 24 ARG CB C 13 29.8888 . . 1 . . . 1 A 1787 ARG CB . 30003 1 260 . 1 1 24 24 ARG CD C 13 42.9898 . . 1 . . . 1 A 1787 ARG CD . 30003 1 261 . 1 1 24 24 ARG CG C 13 26.8478 . . 1 . . . 1 A 1787 ARG CG . 30003 1 262 . 1 1 24 24 ARG H H 1 8.843 . . 1 . . . 1 A 1787 ARG H . 30003 1 263 . 1 1 24 24 ARG HA H 1 4.609 . . 1 . . . 1 A 1787 ARG HA . 30003 1 264 . 1 1 24 24 ARG HB2 H 1 1.645 . . 2 . . . 1 A 1787 ARG HB2 . 30003 1 265 . 1 1 24 24 ARG HB3 H 1 2.156 . . 2 . . . 1 A 1787 ARG HB3 . 30003 1 266 . 1 1 24 24 ARG HD2 H 1 3.192 . . 2 . . . 1 A 1787 ARG HD2 . 30003 1 267 . 1 1 24 24 ARG HD3 H 1 3.192 . . 2 . . . 1 A 1787 ARG HD3 . 30003 1 268 . 1 1 24 24 ARG HG2 H 1 1.592 . . 2 . . . 1 A 1787 ARG HG2 . 30003 1 269 . 1 1 24 24 ARG HG3 H 1 1.676 . . 2 . . . 1 A 1787 ARG HG3 . 30003 1 270 . 1 1 24 24 ARG N N 15 129.153 . . 1 . . . 1 A 1787 ARG N . 30003 1 271 . 1 1 25 25 ASN CA C 13 51.6458 . . 1 . . . 1 A 1788 ASN CA . 30003 1 272 . 1 1 25 25 ASN CB C 13 39.0128 . . 1 . . . 1 A 1788 ASN CB . 30003 1 273 . 1 1 25 25 ASN H H 1 7.881 . . 1 . . . 1 A 1788 ASN H . 30003 1 274 . 1 1 25 25 ASN HA H 1 4.86 . . 1 . . . 1 A 1788 ASN HA . 30003 1 275 . 1 1 25 25 ASN HB2 H 1 2.864 . . 2 . . . 1 A 1788 ASN HB2 . 30003 1 276 . 1 1 25 25 ASN HB3 H 1 3.008 . . 2 . . . 1 A 1788 ASN HB3 . 30003 1 277 . 1 1 25 25 ASN HD21 H 1 7.002 . . 2 . . . 1 A 1788 ASN HD21 . 30003 1 278 . 1 1 25 25 ASN HD22 H 1 7.807 . . 2 . . . 1 A 1788 ASN HD22 . 30003 1 279 . 1 1 25 25 ASN N N 15 120.232 . . 1 . . . 1 A 1788 ASN N . 30003 1 280 . 1 1 25 25 ASN ND2 N 15 111.312 . . 1 . . . 1 A 1788 ASN ND2 . 30003 1 281 . 1 1 26 26 ALA CA C 13 54.2198 . . 1 . . . 1 A 1789 ALA CA . 30003 1 282 . 1 1 26 26 ALA CB C 13 18.4256 . . 1 . . . 1 A 1789 ALA CB . 30003 1 283 . 1 1 26 26 ALA H H 1 9.087 . . 1 . . . 1 A 1789 ALA H . 30003 1 284 . 1 1 26 26 ALA HA H 1 4.116 . . 1 . . . 1 A 1789 ALA HA . 30003 1 285 . 1 1 26 26 ALA HB1 H 1 1.451 . . 1 . . . 1 A 1789 ALA HB1 . 30003 1 286 . 1 1 26 26 ALA HB2 H 1 1.451 . . 1 . . . 1 A 1789 ALA HB2 . 30003 1 287 . 1 1 26 26 ALA HB3 H 1 1.451 . . 1 . . . 1 A 1789 ALA HB3 . 30003 1 288 . 1 1 26 26 ALA N N 15 130.011 . . 1 . . . 1 A 1789 ALA N . 30003 1 289 . 1 1 27 27 ASN CA C 13 51.6458 . . 1 . . . 1 A 1790 ASN CA . 30003 1 290 . 1 1 27 27 ASN CB C 13 38.7788 . . 1 . . . 1 A 1790 ASN CB . 30003 1 291 . 1 1 27 27 ASN H H 1 8.032 . . 1 . . . 1 A 1790 ASN H . 30003 1 292 . 1 1 27 27 ASN HA H 1 4.859 . . 1 . . . 1 A 1790 ASN HA . 30003 1 293 . 1 1 27 27 ASN HB2 H 1 2.626 . . 2 . . . 1 A 1790 ASN HB2 . 30003 1 294 . 1 1 27 27 ASN HB3 H 1 2.97 . . 2 . . . 1 A 1790 ASN HB3 . 30003 1 295 . 1 1 27 27 ASN HD21 H 1 6.87 . . 2 . . . 1 A 1790 ASN HD21 . 30003 1 296 . 1 1 27 27 ASN HD22 H 1 7.595 . . 2 . . . 1 A 1790 ASN HD22 . 30003 1 297 . 1 1 27 27 ASN N N 15 113.885 . . 1 . . . 1 A 1790 ASN N . 30003 1 298 . 1 1 27 27 ASN ND2 N 15 112.856 . . 1 . . . 1 A 1790 ASN ND2 . 30003 1 299 . 1 1 28 28 CYS CA C 13 61.706 . . 1 . . . 1 A 1791 CYS CA . 30003 1 300 . 1 1 28 28 CYS CB C 13 29.8888 . . 1 . . . 1 A 1791 CYS CB . 30003 1 301 . 1 1 28 28 CYS H H 1 7.151 . . 1 . . . 1 A 1791 CYS H . 30003 1 302 . 1 1 28 28 CYS HA H 1 4.05 . . 1 . . . 1 A 1791 CYS HA . 30003 1 303 . 1 1 28 28 CYS HB2 H 1 3.03 . . 2 . . . 1 A 1791 CYS HB2 . 30003 1 304 . 1 1 28 28 CYS HB3 H 1 3.03 . . 2 . . . 1 A 1791 CYS HB3 . 30003 1 305 . 1 1 28 28 CYS N N 15 122.977 . . 1 . . . 1 A 1791 CYS N . 30003 1 306 . 1 1 29 29 SER CA C 13 57.729 . . 1 . . . 1 A 1792 SER CA . 30003 1 307 . 1 1 29 29 SER CB C 13 63.811 . . 1 . . . 1 A 1792 SER CB . 30003 1 308 . 1 1 29 29 SER H H 1 8.75 . . 1 . . . 1 A 1792 SER H . 30003 1 309 . 1 1 29 29 SER HA H 1 4.637 . . 1 . . . 1 A 1792 SER HA . 30003 1 310 . 1 1 29 29 SER HB2 H 1 3.878 . . 2 . . . 1 A 1792 SER HB2 . 30003 1 311 . 1 1 29 29 SER HB3 H 1 4.137 . . 2 . . . 1 A 1792 SER HB3 . 30003 1 312 . 1 1 29 29 SER N N 15 124.178 . . 1 . . . 1 A 1792 SER N . 30003 1 313 . 1 1 30 30 LEU CA C 13 54.2108 . . 1 . . . 1 A 1793 LEU CA . 30003 1 314 . 1 1 30 30 LEU CB C 13 40.6418 . . 1 . . . 1 A 1793 LEU CB . 30003 1 315 . 1 1 30 30 LEU CD1 C 13 24.2566 . . 2 . . . 1 A 1793 LEU CD1 . 30003 1 316 . 1 1 30 30 LEU CD2 C 13 23.0866 . . 2 . . . 1 A 1793 LEU CD2 . 30003 1 317 . 1 1 30 30 LEU CG C 13 27.3068 . . 1 . . . 1 A 1793 LEU CG . 30003 1 318 . 1 1 30 30 LEU H H 1 8.539 . . 1 . . . 1 A 1793 LEU H . 30003 1 319 . 1 1 30 30 LEU HA H 1 4.511 . . 1 . . . 1 A 1793 LEU HA . 30003 1 320 . 1 1 30 30 LEU HB2 H 1 1.417 . . 2 . . . 1 A 1793 LEU HB2 . 30003 1 321 . 1 1 30 30 LEU HB3 H 1 1.637 . . 2 . . . 1 A 1793 LEU HB3 . 30003 1 322 . 1 1 30 30 LEU HD11 H 1 0.58 . . 2 . . . 1 A 1793 LEU HD11 . 30003 1 323 . 1 1 30 30 LEU HD12 H 1 0.58 . . 2 . . . 1 A 1793 LEU HD12 . 30003 1 324 . 1 1 30 30 LEU HD13 H 1 0.58 . . 2 . . . 1 A 1793 LEU HD13 . 30003 1 325 . 1 1 30 30 LEU HD21 H 1 0.651 . . 2 . . . 1 A 1793 LEU HD21 . 30003 1 326 . 1 1 30 30 LEU HD22 H 1 0.651 . . 2 . . . 1 A 1793 LEU HD22 . 30003 1 327 . 1 1 30 30 LEU HD23 H 1 0.651 . . 2 . . . 1 A 1793 LEU HD23 . 30003 1 328 . 1 1 30 30 LEU HG H 1 1.639 . . 1 . . . 1 A 1793 LEU HG . 30003 1 329 . 1 1 30 30 LEU N N 15 128.467 . . 1 . . . 1 A 1793 LEU N . 30003 1 330 . 1 1 31 31 PRO CA C 13 65.215 . . 1 . . . 1 A 1794 PRO CA . 30003 1 331 . 1 1 31 31 PRO CB C 13 31.9858 . . 1 . . . 1 A 1794 PRO CB . 30003 1 332 . 1 1 31 31 PRO CD C 13 50.9348 . . 1 . . . 1 A 1794 PRO CD . 30003 1 333 . 1 1 31 31 PRO CG C 13 27.3068 . . 1 . . . 1 A 1794 PRO CG . 30003 1 334 . 1 1 31 31 PRO HA H 1 4.35 . . 1 . . . 1 A 1794 PRO HA . 30003 1 335 . 1 1 31 31 PRO HB2 H 1 2.01 . . 2 . . . 1 A 1794 PRO HB2 . 30003 1 336 . 1 1 31 31 PRO HB3 H 1 2.416 . . 2 . . . 1 A 1794 PRO HB3 . 30003 1 337 . 1 1 31 31 PRO HD2 H 1 3.767 . . 2 . . . 1 A 1794 PRO HD2 . 30003 1 338 . 1 1 31 31 PRO HD3 H 1 4.198 . . 2 . . . 1 A 1794 PRO HD3 . 30003 1 339 . 1 1 31 31 PRO HG2 H 1 2.095 . . 2 . . . 1 A 1794 PRO HG2 . 30003 1 340 . 1 1 31 31 PRO HG3 H 1 2.19 . . 2 . . . 1 A 1794 PRO HG3 . 30003 1 341 . 1 1 32 32 SER CA C 13 60.536 . . 1 . . . 1 A 1795 SER CA . 30003 1 342 . 1 1 32 32 SER CB C 13 62.642 . . 1 . . . 1 A 1795 SER CB . 30003 1 343 . 1 1 32 32 SER H H 1 8.43 . . 1 . . . 1 A 1795 SER H . 30003 1 344 . 1 1 32 32 SER HA H 1 4.285 . . 1 . . . 1 A 1795 SER HA . 30003 1 345 . 1 1 32 32 SER HB2 H 1 4.016 . . 2 . . . 1 A 1795 SER HB2 . 30003 1 346 . 1 1 32 32 SER HB3 H 1 4.127 . . 2 . . . 1 A 1795 SER HB3 . 30003 1 347 . 1 1 32 32 SER N N 15 111.998 . . 1 . . . 1 A 1795 SER N . 30003 1 348 . 1 1 33 33 CYS CA C 13 64.045 . . 1 . . . 1 A 1796 CYS CA . 30003 1 349 . 1 1 33 33 CYS CB C 13 29.6548 . . 1 . . . 1 A 1796 CYS CB . 30003 1 350 . 1 1 33 33 CYS H H 1 7.534 . . 1 . . . 1 A 1796 CYS H . 30003 1 351 . 1 1 33 33 CYS HA H 1 4.185 . . 1 . . . 1 A 1796 CYS HA . 30003 1 352 . 1 1 33 33 CYS HB2 H 1 2.796 . . 2 . . . 1 A 1796 CYS HB2 . 30003 1 353 . 1 1 33 33 CYS HB3 H 1 3.257 . . 2 . . . 1 A 1796 CYS HB3 . 30003 1 354 . 1 1 33 33 CYS N N 15 125.379 . . 1 . . . 1 A 1796 CYS N . 30003 1 355 . 1 1 34 34 GLN CA C 13 59.6 . . 1 . . . 1 A 1797 GLN CA . 30003 1 356 . 1 1 34 34 GLN CB C 13 28.0178 . . 1 . . . 1 A 1797 GLN CB . 30003 1 357 . 1 1 34 34 GLN CG C 13 34.0998 . . 1 . . . 1 A 1797 GLN CG . 30003 1 358 . 1 1 34 34 GLN H H 1 8.131 . . 1 . . . 1 A 1797 GLN H . 30003 1 359 . 1 1 34 34 GLN HA H 1 3.995 . . 1 . . . 1 A 1797 GLN HA . 30003 1 360 . 1 1 34 34 GLN HB2 H 1 2.174 . . 2 . . . 1 A 1797 GLN HB2 . 30003 1 361 . 1 1 34 34 GLN HB3 H 1 2.226 . . 2 . . . 1 A 1797 GLN HB3 . 30003 1 362 . 1 1 34 34 GLN HE21 H 1 6.795 . . 2 . . . 1 A 1797 GLN HE21 . 30003 1 363 . 1 1 34 34 GLN HE22 H 1 7.407 . . 2 . . . 1 A 1797 GLN HE22 . 30003 1 364 . 1 1 34 34 GLN HG2 H 1 2.506 . . 2 . . . 1 A 1797 GLN HG2 . 30003 1 365 . 1 1 34 34 GLN HG3 H 1 2.572 . . 2 . . . 1 A 1797 GLN HG3 . 30003 1 366 . 1 1 34 34 GLN N N 15 115.6 . . 1 . . . 1 A 1797 GLN N . 30003 1 367 . 1 1 34 34 GLN NE2 N 15 110.797 . . 1 . . . 1 A 1797 GLN NE2 . 30003 1 368 . 1 1 35 35 LYS CA C 13 59.366 . . 1 . . . 1 A 1798 LYS CA . 30003 1 369 . 1 1 35 35 LYS CB C 13 32.4538 . . 1 . . . 1 A 1798 LYS CB . 30003 1 370 . 1 1 35 35 LYS CD C 13 29.1778 . . 1 . . . 1 A 1798 LYS CD . 30003 1 371 . 1 1 35 35 LYS CE C 13 41.8118 . . 1 . . . 1 A 1798 LYS CE . 30003 1 372 . 1 1 35 35 LYS CG C 13 24.9668 . . 1 . . . 1 A 1798 LYS CG . 30003 1 373 . 1 1 35 35 LYS H H 1 8.01 . . 1 . . . 1 A 1798 LYS H . 30003 1 374 . 1 1 35 35 LYS HA H 1 4.078 . . 1 . . . 1 A 1798 LYS HA . 30003 1 375 . 1 1 35 35 LYS HB2 H 1 1.896 . . 2 . . . 1 A 1798 LYS HB2 . 30003 1 376 . 1 1 35 35 LYS HB3 H 1 1.972 . . 2 . . . 1 A 1798 LYS HB3 . 30003 1 377 . 1 1 35 35 LYS HD2 H 1 1.77 . . 2 . . . 1 A 1798 LYS HD2 . 30003 1 378 . 1 1 35 35 LYS HD3 H 1 1.77 . . 2 . . . 1 A 1798 LYS HD3 . 30003 1 379 . 1 1 35 35 LYS HE2 H 1 3.016 . . 2 . . . 1 A 1798 LYS HE2 . 30003 1 380 . 1 1 35 35 LYS HE3 H 1 3.016 . . 2 . . . 1 A 1798 LYS HE3 . 30003 1 381 . 1 1 35 35 LYS HG2 H 1 1.462 . . 2 . . . 1 A 1798 LYS HG2 . 30003 1 382 . 1 1 35 35 LYS HG3 H 1 1.571 . . 2 . . . 1 A 1798 LYS HG3 . 30003 1 383 . 1 1 35 35 LYS N N 15 117.659 . . 1 . . . 1 A 1798 LYS N . 30003 1 384 . 1 1 36 36 MET CA C 13 57.027 . . 1 . . . 1 A 1799 MET CA . 30003 1 385 . 1 1 36 36 MET CB C 13 31.2838 . . 1 . . . 1 A 1799 MET CB . 30003 1 386 . 1 1 36 36 MET CE C 13 17.2376 . . 1 . . . 1 A 1799 MET CE . 30003 1 387 . 1 1 36 36 MET CG C 13 33.3888 . . 1 . . . 1 A 1799 MET CG . 30003 1 388 . 1 1 36 36 MET H H 1 8.173 . . 1 . . . 1 A 1799 MET H . 30003 1 389 . 1 1 36 36 MET HA H 1 4.475 . . 1 . . . 1 A 1799 MET HA . 30003 1 390 . 1 1 36 36 MET HB2 H 1 1.795 . . 2 . . . 1 A 1799 MET HB2 . 30003 1 391 . 1 1 36 36 MET HB3 H 1 2.338 . . 2 . . . 1 A 1799 MET HB3 . 30003 1 392 . 1 1 36 36 MET HE1 H 1 1.865 . . 1 . . . 1 A 1799 MET HE1 . 30003 1 393 . 1 1 36 36 MET HE2 H 1 1.865 . . 1 . . . 1 A 1799 MET HE2 . 30003 1 394 . 1 1 36 36 MET HE3 H 1 1.865 . . 1 . . . 1 A 1799 MET HE3 . 30003 1 395 . 1 1 36 36 MET HG2 H 1 2.519 . . 2 . . . 1 A 1799 MET HG2 . 30003 1 396 . 1 1 36 36 MET HG3 H 1 2.774 . . 2 . . . 1 A 1799 MET HG3 . 30003 1 397 . 1 1 36 36 MET N N 15 117.316 . . 1 . . . 1 A 1799 MET N . 30003 1 398 . 1 1 37 37 LYS CA C 13 61.238 . . 1 . . . 1 A 1800 LYS CA . 30003 1 399 . 1 1 37 37 LYS CB C 13 33.1548 . . 1 . . . 1 A 1800 LYS CB . 30003 1 400 . 1 1 37 37 LYS CD C 13 30.3478 . . 1 . . . 1 A 1800 LYS CD . 30003 1 401 . 1 1 37 37 LYS CE C 13 42.7468 . . 1 . . . 1 A 1800 LYS CE . 30003 1 402 . 1 1 37 37 LYS CG C 13 27.5408 . . 1 . . . 1 A 1800 LYS CG . 30003 1 403 . 1 1 37 37 LYS H H 1 9.163 . . 1 . . . 1 A 1800 LYS H . 30003 1 404 . 1 1 37 37 LYS HA H 1 3.852 . . 1 . . . 1 A 1800 LYS HA . 30003 1 405 . 1 1 37 37 LYS HB2 H 1 1.841 . . 2 . . . 1 A 1800 LYS HB2 . 30003 1 406 . 1 1 37 37 LYS HB3 H 1 2.087 . . 2 . . . 1 A 1800 LYS HB3 . 30003 1 407 . 1 1 37 37 LYS HD2 H 1 1.695 . . 2 . . . 1 A 1800 LYS HD2 . 30003 1 408 . 1 1 37 37 LYS HD3 H 1 1.695 . . 2 . . . 1 A 1800 LYS HD3 . 30003 1 409 . 1 1 37 37 LYS HE2 H 1 3.176 . . 2 . . . 1 A 1800 LYS HE2 . 30003 1 410 . 1 1 37 37 LYS HE3 H 1 3.329 . . 2 . . . 1 A 1800 LYS HE3 . 30003 1 411 . 1 1 37 37 LYS HG2 H 1 1.351 . . 2 . . . 1 A 1800 LYS HG2 . 30003 1 412 . 1 1 37 37 LYS HG3 H 1 2.022 . . 2 . . . 1 A 1800 LYS HG3 . 30003 1 413 . 1 1 37 37 LYS N N 15 120.576 . . 1 . . . 1 A 1800 LYS N . 30003 1 414 . 1 1 38 38 ARG CA C 13 59.6 . . 1 . . . 1 A 1801 ARG CA . 30003 1 415 . 1 1 38 38 ARG CB C 13 29.8888 . . 1 . . . 1 A 1801 ARG CB . 30003 1 416 . 1 1 38 38 ARG CD C 13 43.4578 . . 1 . . . 1 A 1801 ARG CD . 30003 1 417 . 1 1 38 38 ARG CG C 13 27.7838 . . 1 . . . 1 A 1801 ARG CG . 30003 1 418 . 1 1 38 38 ARG H H 1 7.703 . . 1 . . . 1 A 1801 ARG H . 30003 1 419 . 1 1 38 38 ARG HA H 1 4.172 . . 1 . . . 1 A 1801 ARG HA . 30003 1 420 . 1 1 38 38 ARG HB2 H 1 2.023 . . 2 . . . 1 A 1801 ARG HB2 . 30003 1 421 . 1 1 38 38 ARG HB3 H 1 2.023 . . 2 . . . 1 A 1801 ARG HB3 . 30003 1 422 . 1 1 38 38 ARG HD2 H 1 3.286 . . 2 . . . 1 A 1801 ARG HD2 . 30003 1 423 . 1 1 38 38 ARG HD3 H 1 3.286 . . 2 . . . 1 A 1801 ARG HD3 . 30003 1 424 . 1 1 38 38 ARG HG2 H 1 1.707 . . 2 . . . 1 A 1801 ARG HG2 . 30003 1 425 . 1 1 38 38 ARG HG3 H 1 1.707 . . 2 . . . 1 A 1801 ARG HG3 . 30003 1 426 . 1 1 38 38 ARG N N 15 118.002 . . 1 . . . 1 A 1801 ARG N . 30003 1 427 . 1 1 39 39 VAL CA C 13 66.853 . . 1 . . . 1 A 1802 VAL CA . 30003 1 428 . 1 1 39 39 VAL CB C 13 31.5178 . . 1 . . . 1 A 1802 VAL CB . 30003 1 429 . 1 1 39 39 VAL CG1 C 13 23.0866 . . 2 . . . 1 A 1802 VAL CG1 . 30003 1 430 . 1 1 39 39 VAL CG2 C 13 22.1506 . . 2 . . . 1 A 1802 VAL CG2 . 30003 1 431 . 1 1 39 39 VAL H H 1 7.797 . . 1 . . . 1 A 1802 VAL H . 30003 1 432 . 1 1 39 39 VAL HA H 1 3.74 . . 1 . . . 1 A 1802 VAL HA . 30003 1 433 . 1 1 39 39 VAL HB H 1 2.275 . . 1 . . . 1 A 1802 VAL HB . 30003 1 434 . 1 1 39 39 VAL HG11 H 1 1.015 . . 2 . . . 1 A 1802 VAL HG11 . 30003 1 435 . 1 1 39 39 VAL HG12 H 1 1.015 . . 2 . . . 1 A 1802 VAL HG12 . 30003 1 436 . 1 1 39 39 VAL HG13 H 1 1.015 . . 2 . . . 1 A 1802 VAL HG13 . 30003 1 437 . 1 1 39 39 VAL HG21 H 1 0.91 . . 2 . . . 1 A 1802 VAL HG21 . 30003 1 438 . 1 1 39 39 VAL HG22 H 1 0.91 . . 2 . . . 1 A 1802 VAL HG22 . 30003 1 439 . 1 1 39 39 VAL HG23 H 1 0.91 . . 2 . . . 1 A 1802 VAL HG23 . 30003 1 440 . 1 1 39 39 VAL N N 15 121.605 . . 1 . . . 1 A 1802 VAL N . 30003 1 441 . 1 1 40 40 VAL CA C 13 67.321 . . 1 . . . 1 A 1803 VAL CA . 30003 1 442 . 1 1 40 40 VAL CB C 13 31.7518 . . 1 . . . 1 A 1803 VAL CB . 30003 1 443 . 1 1 40 40 VAL CG1 C 13 21.4486 . . 2 . . . 1 A 1803 VAL CG1 . 30003 1 444 . 1 1 40 40 VAL CG2 C 13 23.5546 . . 2 . . . 1 A 1803 VAL CG2 . 30003 1 445 . 1 1 40 40 VAL H H 1 8.307 . . 1 . . . 1 A 1803 VAL H . 30003 1 446 . 1 1 40 40 VAL HA H 1 3.544 . . 1 . . . 1 A 1803 VAL HA . 30003 1 447 . 1 1 40 40 VAL HB H 1 2.186 . . 1 . . . 1 A 1803 VAL HB . 30003 1 448 . 1 1 40 40 VAL HG11 H 1 0.96 . . 2 . . . 1 A 1803 VAL HG11 . 30003 1 449 . 1 1 40 40 VAL HG12 H 1 0.96 . . 2 . . . 1 A 1803 VAL HG12 . 30003 1 450 . 1 1 40 40 VAL HG13 H 1 0.96 . . 2 . . . 1 A 1803 VAL HG13 . 30003 1 451 . 1 1 40 40 VAL HG21 H 1 0.992 . . 2 . . . 1 A 1803 VAL HG21 . 30003 1 452 . 1 1 40 40 VAL HG22 H 1 0.992 . . 2 . . . 1 A 1803 VAL HG22 . 30003 1 453 . 1 1 40 40 VAL HG23 H 1 0.992 . . 2 . . . 1 A 1803 VAL HG23 . 30003 1 454 . 1 1 40 40 VAL N N 15 120.576 . . 1 . . . 1 A 1803 VAL N . 30003 1 455 . 1 1 41 41 GLN CA C 13 58.664 . . 1 . . . 1 A 1804 GLN CA . 30003 1 456 . 1 1 41 41 GLN CB C 13 28.2518 . . 1 . . . 1 A 1804 GLN CB . 30003 1 457 . 1 1 41 41 GLN H H 1 8.059 . . 1 . . . 1 A 1804 GLN H . 30003 1 458 . 1 1 41 41 GLN HA H 1 4.018 . . 1 . . . 1 A 1804 GLN HA . 30003 1 459 . 1 1 41 41 GLN HB2 H 1 2.076 . . 2 . . . 1 A 1804 GLN HB2 . 30003 1 460 . 1 1 41 41 GLN HB3 H 1 2.143 . . 2 . . . 1 A 1804 GLN HB3 . 30003 1 461 . 1 1 41 41 GLN HE21 H 1 6.859 . . 2 . . . 1 A 1804 GLN HE21 . 30003 1 462 . 1 1 41 41 GLN HE22 H 1 7.468 . . 2 . . . 1 A 1804 GLN HE22 . 30003 1 463 . 1 1 41 41 GLN HG2 H 1 2.47 . . 2 . . . 1 A 1804 GLN HG2 . 30003 1 464 . 1 1 41 41 GLN HG3 H 1 2.47 . . 2 . . . 1 A 1804 GLN HG3 . 30003 1 465 . 1 1 41 41 GLN N N 15 119.546 . . 1 . . . 1 A 1804 GLN N . 30003 1 466 . 1 1 41 41 GLN NE2 N 15 111.655 . . 1 . . . 1 A 1804 GLN NE2 . 30003 1 467 . 1 1 42 42 HIS CA C 13 59.6 . . 1 . . . 1 A 1805 HIS CA . 30003 1 468 . 1 1 42 42 HIS CB C 13 27.3158 . . 1 . . . 1 A 1805 HIS CB . 30003 1 469 . 1 1 42 42 HIS CD2 C 13 129.0824 . . . . . . 1 A 1805 HIS CD2 . 30003 1 470 . 1 1 42 42 HIS CE1 C 13 140.0784 . . 1 . . . 1 A 1805 HIS CE1 . 30003 1 471 . 1 1 42 42 HIS H H 1 8.202 . . 1 . . . 1 A 1805 HIS H . 30003 1 472 . 1 1 42 42 HIS HA H 1 4.281 . . 1 . . . 1 A 1805 HIS HA . 30003 1 473 . 1 1 42 42 HIS HB2 H 1 3.375 . . 2 . . . 1 A 1805 HIS HB2 . 30003 1 474 . 1 1 42 42 HIS HB3 H 1 3.819 . . 2 . . . 1 A 1805 HIS HB3 . 30003 1 475 . 1 1 42 42 HIS HD2 H 1 7.035 . . 1 . . . 1 A 1805 HIS HD2 . 30003 1 476 . 1 1 42 42 HIS HE1 H 1 8.124 . . 1 . . . 1 A 1805 HIS HE1 . 30003 1 477 . 1 1 42 42 HIS N N 15 118.86 . . 1 . . . 1 A 1805 HIS N . 30003 1 478 . 1 1 43 43 THR CA C 13 65.917 . . 1 . . . 1 A 1806 THR CA . 30003 1 479 . 1 1 43 43 THR CB C 13 69.426 . . 1 . . . 1 A 1806 THR CB . 30003 1 480 . 1 1 43 43 THR CG2 C 13 21.2146 . . 1 . . . 1 A 1806 THR CG2 . 30003 1 481 . 1 1 43 43 THR H H 1 8.105 . . 1 . . . 1 A 1806 THR H . 30003 1 482 . 1 1 43 43 THR HA H 1 3.929 . . 1 . . . 1 A 1806 THR HA . 30003 1 483 . 1 1 43 43 THR HB H 1 4.262 . . 1 . . . 1 A 1806 THR HB . 30003 1 484 . 1 1 43 43 THR HG1 H 1 5.52 . . 1 . . . 1 A 1806 THR HG1 . 30003 1 485 . 1 1 43 43 THR HG21 H 1 1.578 . . 1 . . . 1 A 1806 THR HG21 . 30003 1 486 . 1 1 43 43 THR HG22 H 1 1.578 . . 1 . . . 1 A 1806 THR HG22 . 30003 1 487 . 1 1 43 43 THR HG23 H 1 1.578 . . 1 . . . 1 A 1806 THR HG23 . 30003 1 488 . 1 1 43 43 THR N N 15 113.027 . . 1 . . . 1 A 1806 THR N . 30003 1 489 . 1 1 44 44 LYS CA C 13 58.664 . . 1 . . . 1 A 1807 LYS CA . 30003 1 490 . 1 1 44 44 LYS CB C 13 32.2198 . . 1 . . . 1 A 1807 LYS CB . 30003 1 491 . 1 1 44 44 LYS CD C 13 28.9438 . . 1 . . . 1 A 1807 LYS CD . 30003 1 492 . 1 1 44 44 LYS CE C 13 42.0448 . . 1 . . . 1 A 1807 LYS CE . 30003 1 493 . 1 1 44 44 LYS CG C 13 25.4348 . . 1 . . . 1 A 1807 LYS CG . 30003 1 494 . 1 1 44 44 LYS H H 1 7.341 . . 1 . . . 1 A 1807 LYS H . 30003 1 495 . 1 1 44 44 LYS HA H 1 4.087 . . 1 . . . 1 A 1807 LYS HA . 30003 1 496 . 1 1 44 44 LYS HB2 H 1 1.907 . . 2 . . . 1 A 1807 LYS HB2 . 30003 1 497 . 1 1 44 44 LYS HB3 H 1 1.907 . . 2 . . . 1 A 1807 LYS HB3 . 30003 1 498 . 1 1 44 44 LYS HD2 H 1 1.692 . . 2 . . . 1 A 1807 LYS HD2 . 30003 1 499 . 1 1 44 44 LYS HD3 H 1 1.692 . . 2 . . . 1 A 1807 LYS HD3 . 30003 1 500 . 1 1 44 44 LYS HE2 H 1 2.914 . . 2 . . . 1 A 1807 LYS HE2 . 30003 1 501 . 1 1 44 44 LYS HE3 H 1 2.914 . . 2 . . . 1 A 1807 LYS HE3 . 30003 1 502 . 1 1 44 44 LYS HG2 H 1 1.466 . . 2 . . . 1 A 1807 LYS HG2 . 30003 1 503 . 1 1 44 44 LYS HG3 H 1 1.679 . . 2 . . . 1 A 1807 LYS HG3 . 30003 1 504 . 1 1 44 44 LYS N N 15 119.889 . . 1 . . . 1 A 1807 LYS N . 30003 1 505 . 1 1 45 45 GLY CA C 13 44.6278 . . 1 . . . 1 A 1808 GLY CA . 30003 1 506 . 1 1 45 45 GLY H H 1 7.105 . . 1 . . . 1 A 1808 GLY H . 30003 1 507 . 1 1 45 45 GLY HA2 H 1 3.662 . . 2 . . . 1 A 1808 GLY HA2 . 30003 1 508 . 1 1 45 45 GLY HA3 H 1 4.405 . . 2 . . . 1 A 1808 GLY HA3 . 30003 1 509 . 1 1 45 45 GLY N N 15 103.592 . . 1 . . . 1 A 1808 GLY N . 30003 1 510 . 1 1 46 46 CYS CA C 13 61.004 . . 1 . . . 1 A 1809 CYS CA . 30003 1 511 . 1 1 46 46 CYS CB C 13 30.1228 . . 1 . . . 1 A 1809 CYS CB . 30003 1 512 . 1 1 46 46 CYS H H 1 6.905 . . 1 . . . 1 A 1809 CYS H . 30003 1 513 . 1 1 46 46 CYS HA H 1 3.968 . . 1 . . . 1 A 1809 CYS HA . 30003 1 514 . 1 1 46 46 CYS HB2 H 1 2.009 . . 2 . . . 1 A 1809 CYS HB2 . 30003 1 515 . 1 1 46 46 CYS HB3 H 1 2.713 . . 2 . . . 1 A 1809 CYS HB3 . 30003 1 516 . 1 1 46 46 CYS N N 15 122.977 . . 1 . . . 1 A 1809 CYS N . 30003 1 517 . 1 1 47 47 LYS CA C 13 56.559 . . 1 . . . 1 A 1810 LYS CA . 30003 1 518 . 1 1 47 47 LYS CB C 13 33.1548 . . 1 . . . 1 A 1810 LYS CB . 30003 1 519 . 1 1 47 47 LYS CD C 13 28.7098 . . 1 . . . 1 A 1810 LYS CD . 30003 1 520 . 1 1 47 47 LYS CE C 13 42.0448 . . 1 . . . 1 A 1810 LYS CE . 30003 1 521 . 1 1 47 47 LYS CG C 13 25.2008 . . 1 . . . 1 A 1810 LYS CG . 30003 1 522 . 1 1 47 47 LYS H H 1 9.052 . . 1 . . . 1 A 1810 LYS H . 30003 1 523 . 1 1 47 47 LYS HA H 1 4.492 . . 1 . . . 1 A 1810 LYS HA . 30003 1 524 . 1 1 47 47 LYS HB2 H 1 1.864 . . 2 . . . 1 A 1810 LYS HB2 . 30003 1 525 . 1 1 47 47 LYS HB3 H 1 2.05 . . 2 . . . 1 A 1810 LYS HB3 . 30003 1 526 . 1 1 47 47 LYS HD2 H 1 1.744 . . 2 . . . 1 A 1810 LYS HD2 . 30003 1 527 . 1 1 47 47 LYS HD3 H 1 1.744 . . 2 . . . 1 A 1810 LYS HD3 . 30003 1 528 . 1 1 47 47 LYS HE2 H 1 3.075 . . 2 . . . 1 A 1810 LYS HE2 . 30003 1 529 . 1 1 47 47 LYS HE3 H 1 3.075 . . 2 . . . 1 A 1810 LYS HE3 . 30003 1 530 . 1 1 47 47 LYS HG2 H 1 1.561 . . 2 . . . 1 A 1810 LYS HG2 . 30003 1 531 . 1 1 47 47 LYS HG3 H 1 1.652 . . 2 . . . 1 A 1810 LYS HG3 . 30003 1 532 . 1 1 47 47 LYS N N 15 128.12 . . 1 . . . 1 A 1810 LYS N . 30003 1 533 . 1 1 48 48 ARG CA C 13 57.963 . . 1 . . . 1 A 1811 ARG CA . 30003 1 534 . 1 1 48 48 ARG CB C 13 31.7608 . . 1 . . . 1 A 1811 ARG CB . 30003 1 535 . 1 1 48 48 ARG CD C 13 43.6918 . . 1 . . . 1 A 1811 ARG CD . 30003 1 536 . 1 1 48 48 ARG CG C 13 27.7838 . . 1 . . . 1 A 1811 ARG CG . 30003 1 537 . 1 1 48 48 ARG H H 1 8.514 . . 1 . . . 1 A 1811 ARG H . 30003 1 538 . 1 1 48 48 ARG HA H 1 4.38 . . 1 . . . 1 A 1811 ARG HA . 30003 1 539 . 1 1 48 48 ARG HB2 H 1 1.831 . . 2 . . . 1 A 1811 ARG HB2 . 30003 1 540 . 1 1 48 48 ARG HB3 H 1 1.831 . . 2 . . . 1 A 1811 ARG HB3 . 30003 1 541 . 1 1 48 48 ARG HD2 H 1 3.315 . . 2 . . . 1 A 1811 ARG HD2 . 30003 1 542 . 1 1 48 48 ARG HD3 H 1 3.315 . . 2 . . . 1 A 1811 ARG HD3 . 30003 1 543 . 1 1 48 48 ARG HG2 H 1 1.722 . . 2 . . . 1 A 1811 ARG HG2 . 30003 1 544 . 1 1 48 48 ARG HG3 H 1 1.886 . . 2 . . . 1 A 1811 ARG HG3 . 30003 1 545 . 1 1 48 48 ARG N N 15 122.463 . . 1 . . . 1 A 1811 ARG N . 30003 1 546 . 1 1 49 49 LYS CA C 13 57.729 . . 1 . . . 1 A 1812 LYS CA . 30003 1 547 . 1 1 49 49 LYS CB C 13 31.9858 . . 1 . . . 1 A 1812 LYS CB . 30003 1 548 . 1 1 49 49 LYS CD C 13 29.6458 . . 1 . . . 1 A 1812 LYS CD . 30003 1 549 . 1 1 49 49 LYS CE C 13 42.5128 . . 1 . . . 1 A 1812 LYS CE . 30003 1 550 . 1 1 49 49 LYS CG C 13 24.4906 . . 1 . . . 1 A 1812 LYS CG . 30003 1 551 . 1 1 49 49 LYS H H 1 8.441 . . 1 . . . 1 A 1812 LYS H . 30003 1 552 . 1 1 49 49 LYS HA H 1 4.554 . . 1 . . . 1 A 1812 LYS HA . 30003 1 553 . 1 1 49 49 LYS HB2 H 1 2.086 . . 2 . . . 1 A 1812 LYS HB2 . 30003 1 554 . 1 1 49 49 LYS HB3 H 1 2.308 . . 2 . . . 1 A 1812 LYS HB3 . 30003 1 555 . 1 1 49 49 LYS HD2 H 1 1.712 . . 2 . . . 1 A 1812 LYS HD2 . 30003 1 556 . 1 1 49 49 LYS HD3 H 1 2.11 . . 2 . . . 1 A 1812 LYS HD3 . 30003 1 557 . 1 1 49 49 LYS HE2 H 1 3.141 . . 2 . . . 1 A 1812 LYS HE2 . 30003 1 558 . 1 1 49 49 LYS HE3 H 1 3.188 . . 2 . . . 1 A 1812 LYS HE3 . 30003 1 559 . 1 1 49 49 LYS HG2 H 1 1.283 . . 2 . . . 1 A 1812 LYS HG2 . 30003 1 560 . 1 1 49 49 LYS HG3 H 1 1.603 . . 2 . . . 1 A 1812 LYS HG3 . 30003 1 561 . 1 1 49 49 LYS N N 15 118.174 . . 1 . . . 1 A 1812 LYS N . 30003 1 562 . 1 1 50 50 THR CA C 13 64.279 . . 1 . . . 1 A 1813 THR CA . 30003 1 563 . 1 1 50 50 THR CB C 13 68.49 . . 1 . . . 1 A 1813 THR CB . 30003 1 564 . 1 1 50 50 THR CG2 C 13 21.9166 . . 1 . . . 1 A 1813 THR CG2 . 30003 1 565 . 1 1 50 50 THR H H 1 7.685 . . 1 . . . 1 A 1813 THR H . 30003 1 566 . 1 1 50 50 THR HA H 1 4.092 . . 1 . . . 1 A 1813 THR HA . 30003 1 567 . 1 1 50 50 THR HB H 1 4.22 . . 1 . . . 1 A 1813 THR HB . 30003 1 568 . 1 1 50 50 THR HG21 H 1 1.23 . . 1 . . . 1 A 1813 THR HG21 . 30003 1 569 . 1 1 50 50 THR HG22 H 1 1.23 . . 1 . . . 1 A 1813 THR HG22 . 30003 1 570 . 1 1 50 50 THR HG23 H 1 1.23 . . 1 . . . 1 A 1813 THR HG23 . 30003 1 571 . 1 1 50 50 THR N N 15 113.889 . . 1 . . . 1 A 1813 THR N . 30003 1 572 . 1 1 51 51 ASN CA C 13 53.5178 . . 1 . . . 1 A 1814 ASN CA . 30003 1 573 . 1 1 51 51 ASN CB C 13 38.0768 . . 1 . . . 1 A 1814 ASN CB . 30003 1 574 . 1 1 51 51 ASN H H 1 8.165 . . 1 . . . 1 A 1814 ASN H . 30003 1 575 . 1 1 51 51 ASN HA H 1 4.789 . . 1 . . . 1 A 1814 ASN HA . 30003 1 576 . 1 1 51 51 ASN HB2 H 1 2.878 . . 2 . . . 1 A 1814 ASN HB2 . 30003 1 577 . 1 1 51 51 ASN HB3 H 1 2.878 . . 2 . . . 1 A 1814 ASN HB3 . 30003 1 578 . 1 1 51 51 ASN HD21 H 1 6.783 . . 2 . . . 1 A 1814 ASN HD21 . 30003 1 579 . 1 1 51 51 ASN HD22 H 1 7.571 . . 2 . . . 1 A 1814 ASN HD22 . 30003 1 580 . 1 1 51 51 ASN ND2 N 15 111.998 . . 1 . . . 1 A 1814 ASN ND2 . 30003 1 581 . 1 1 52 52 GLY CA C 13 45.7978 . . 1 . . . 1 A 1815 GLY CA . 30003 1 582 . 1 1 52 52 GLY H H 1 7.878 . . 1 . . . 1 A 1815 GLY H . 30003 1 583 . 1 1 52 52 GLY HA2 H 1 4.005 . . 2 . . . 1 A 1815 GLY HA2 . 30003 1 584 . 1 1 52 52 GLY HA3 H 1 4.005 . . 2 . . . 1 A 1815 GLY HA3 . 30003 1 585 . 1 1 52 52 GLY N N 15 107.1938 . . 1 . . . 1 A 1815 GLY N . 30003 1 586 . 1 1 53 53 GLY CA C 13 45.3298 . . 1 . . . 1 A 1816 GLY CA . 30003 1 587 . 1 1 53 53 GLY H H 1 7.71 . . 1 . . . 1 A 1816 GLY H . 30003 1 588 . 1 1 53 53 GLY HA2 H 1 3.918 . . 2 . . . 1 A 1816 GLY HA2 . 30003 1 589 . 1 1 53 53 GLY HA3 H 1 4.023 . . 2 . . . 1 A 1816 GLY HA3 . 30003 1 590 . 1 1 53 53 GLY N N 15 106.680 . . 1 . . . 1 A 1816 GLY N . 30003 1 591 . 1 1 54 54 CYS CA C 13 55.389 . . 1 . . . 1 A 1817 CYS CA . 30003 1 592 . 1 1 54 54 CYS CB C 13 30.8248 . . 1 . . . 1 A 1817 CYS CB . 30003 1 593 . 1 1 54 54 CYS H H 1 7.933 . . 1 . . . 1 A 1817 CYS H . 30003 1 594 . 1 1 54 54 CYS HA H 1 4.849 . . 1 . . . 1 A 1817 CYS HA . 30003 1 595 . 1 1 54 54 CYS HB2 H 1 2.606 . . 2 . . . 1 A 1817 CYS HB2 . 30003 1 596 . 1 1 54 54 CYS HB3 H 1 2.909 . . 2 . . . 1 A 1817 CYS HB3 . 30003 1 597 . 1 1 54 54 CYS N N 15 122.12 . . 1 . . . 1 A 1817 CYS N . 30003 1 598 . 1 1 55 55 PRO CA C 13 65.215 . . 1 . . . 1 A 1818 PRO CA . 30003 1 599 . 1 1 55 55 PRO CB C 13 32.4538 . . 1 . . . 1 A 1818 PRO CB . 30003 1 600 . 1 1 55 55 PRO CD C 13 51.6368 . . 1 . . . 1 A 1818 PRO CD . 30003 1 601 . 1 1 55 55 PRO CG C 13 27.3068 . . 1 . . . 1 A 1818 PRO CG . 30003 1 602 . 1 1 55 55 PRO HA H 1 4.259 . . 1 . . . 1 A 1818 PRO HA . 30003 1 603 . 1 1 55 55 PRO HB2 H 1 1.965 . . 2 . . . 1 A 1818 PRO HB2 . 30003 1 604 . 1 1 55 55 PRO HB3 H 1 2.347 . . 2 . . . 1 A 1818 PRO HB3 . 30003 1 605 . 1 1 55 55 PRO HD2 H 1 4.042 . . 2 . . . 1 A 1818 PRO HD2 . 30003 1 606 . 1 1 55 55 PRO HD3 H 1 4.076 . . 2 . . . 1 A 1818 PRO HD3 . 30003 1 607 . 1 1 55 55 PRO HG2 H 1 2.111 . . 2 . . . 1 A 1818 PRO HG2 . 30003 1 608 . 1 1 55 55 PRO HG3 H 1 2.111 . . 2 . . . 1 A 1818 PRO HG3 . 30003 1 609 . 1 1 56 56 VAL CA C 13 65.917 . . 1 . . . 1 A 1819 VAL CA . 30003 1 610 . 1 1 56 56 VAL CB C 13 32.6878 . . 1 . . . 1 A 1819 VAL CB . 30003 1 611 . 1 1 56 56 VAL CG1 C 13 22.1506 . . 2 . . . 1 A 1819 VAL CG1 . 30003 1 612 . 1 1 56 56 VAL CG2 C 13 22.1506 . . 2 . . . 1 A 1819 VAL CG2 . 30003 1 613 . 1 1 56 56 VAL H H 1 7.579 . . 1 . . . 1 A 1819 VAL H . 30003 1 614 . 1 1 56 56 VAL HA H 1 3.767 . . 1 . . . 1 A 1819 VAL HA . 30003 1 615 . 1 1 56 56 VAL HB H 1 1.781 . . 1 . . . 1 A 1819 VAL HB . 30003 1 616 . 1 1 56 56 VAL HG11 H 1 0.877 . . 2 . . . 1 A 1819 VAL HG11 . 30003 1 617 . 1 1 56 56 VAL HG12 H 1 0.877 . . 2 . . . 1 A 1819 VAL HG12 . 30003 1 618 . 1 1 56 56 VAL HG13 H 1 0.877 . . 2 . . . 1 A 1819 VAL HG13 . 30003 1 619 . 1 1 56 56 VAL HG21 H 1 0.835 . . 2 . . . 1 A 1819 VAL HG21 . 30003 1 620 . 1 1 56 56 VAL HG22 H 1 0.835 . . 2 . . . 1 A 1819 VAL HG22 . 30003 1 621 . 1 1 56 56 VAL HG23 H 1 0.835 . . 2 . . . 1 A 1819 VAL HG23 . 30003 1 622 . 1 1 56 56 VAL N N 15 120.576 . . 1 . . . 1 A 1819 VAL N . 30003 1 623 . 1 1 57 57 CYS CA C 13 66.151 . . 1 . . . 1 A 1820 CYS CA . 30003 1 624 . 1 1 57 57 CYS CB C 13 29.1868 . . 1 . . . 1 A 1820 CYS CB . 30003 1 625 . 1 1 57 57 CYS H H 1 8.774 . . 1 . . . 1 A 1820 CYS H . 30003 1 626 . 1 1 57 57 CYS HA H 1 4.134 . . 1 . . . 1 A 1820 CYS HA . 30003 1 627 . 1 1 57 57 CYS HB2 H 1 2.751 . . 2 . . . 1 A 1820 CYS HB2 . 30003 1 628 . 1 1 57 57 CYS HB3 H 1 2.936 . . 2 . . . 1 A 1820 CYS HB3 . 30003 1 629 . 1 1 57 57 CYS N N 15 123.049 . . 1 . . . 1 A 1820 CYS N . 30003 1 630 . 1 1 58 58 LYS CA C 13 60.068 . . 1 . . . 1 A 1821 LYS CA . 30003 1 631 . 1 1 58 58 LYS CB C 13 32.6878 . . 1 . . . 1 A 1821 LYS CB . 30003 1 632 . 1 1 58 58 LYS CD C 13 29.4118 . . 1 . . . 1 A 1821 LYS CD . 30003 1 633 . 1 1 58 58 LYS CE C 13 41.5778 . . 1 . . . 1 A 1821 LYS CE . 30003 1 634 . 1 1 58 58 LYS CG C 13 25.4348 . . 1 . . . 1 A 1821 LYS CG . 30003 1 635 . 1 1 58 58 LYS H H 1 7.898 . . 1 . . . 1 A 1821 LYS H . 30003 1 636 . 1 1 58 58 LYS HA H 1 3.891 . . 1 . . . 1 A 1821 LYS HA . 30003 1 637 . 1 1 58 58 LYS HB2 H 1 1.767 . . 2 . . . 1 A 1821 LYS HB2 . 30003 1 638 . 1 1 58 58 LYS HB3 H 1 1.834 . . 2 . . . 1 A 1821 LYS HB3 . 30003 1 639 . 1 1 58 58 LYS HD2 H 1 1.625 . . 2 . . . 1 A 1821 LYS HD2 . 30003 1 640 . 1 1 58 58 LYS HD3 H 1 1.625 . . 2 . . . 1 A 1821 LYS HD3 . 30003 1 641 . 1 1 58 58 LYS HE2 H 1 2.887 . . 2 . . . 1 A 1821 LYS HE2 . 30003 1 642 . 1 1 58 58 LYS HE3 H 1 2.887 . . 2 . . . 1 A 1821 LYS HE3 . 30003 1 643 . 1 1 58 58 LYS HG2 H 1 1.303 . . 2 . . . 1 A 1821 LYS HG2 . 30003 1 644 . 1 1 58 58 LYS HG3 H 1 1.526 . . 2 . . . 1 A 1821 LYS HG3 . 30003 1 645 . 1 1 58 58 LYS N N 15 117.488 . . 1 . . . 1 A 1821 LYS N . 30003 1 646 . 1 1 59 59 GLN CA C 13 58.664 . . 1 . . . 1 A 1822 GLN CA . 30003 1 647 . 1 1 59 59 GLN CB C 13 28.2518 . . 1 . . . 1 A 1822 GLN CB . 30003 1 648 . 1 1 59 59 GLN H H 1 7.337 . . 1 . . . 1 A 1822 GLN H . 30003 1 649 . 1 1 59 59 GLN HA H 1 3.827 . . 1 . . . 1 A 1822 GLN HA . 30003 1 650 . 1 1 59 59 GLN HB2 H 1 2.098 . . 2 . . . 1 A 1822 GLN HB2 . 30003 1 651 . 1 1 59 59 GLN HB3 H 1 2.098 . . 2 . . . 1 A 1822 GLN HB3 . 30003 1 652 . 1 1 59 59 GLN HG2 H 1 2.51 . . 2 . . . 1 A 1822 GLN HG2 . 30003 1 653 . 1 1 59 59 GLN HG3 H 1 2.51 . . 2 . . . 1 A 1822 GLN HG3 . 30003 1 654 . 1 1 59 59 GLN N N 15 118.345 . . 1 . . . 1 A 1822 GLN N . 30003 1 655 . 1 1 60 60 LEU CA C 13 58.197 . . 1 . . . 1 A 1823 LEU CA . 30003 1 656 . 1 1 60 60 LEU CB C 13 41.3438 . . 1 . . . 1 A 1823 LEU CB . 30003 1 657 . 1 1 60 60 LEU CD1 C 13 24.0226 . . 2 . . . 1 A 1823 LEU CD1 . 30003 1 658 . 1 1 60 60 LEU CD2 C 13 26.1368 . . 2 . . . 1 A 1823 LEU CD2 . 30003 1 659 . 1 1 60 60 LEU CG C 13 27.3068 . . 1 . . . 1 A 1823 LEU CG . 30003 1 660 . 1 1 60 60 LEU H H 1 8.219 . . 1 . . . 1 A 1823 LEU H . 30003 1 661 . 1 1 60 60 LEU HA H 1 4.323 . . 1 . . . 1 A 1823 LEU HA . 30003 1 662 . 1 1 60 60 LEU HB2 H 1 1.687 . . 2 . . . 1 A 1823 LEU HB2 . 30003 1 663 . 1 1 60 60 LEU HB3 H 1 2.144 . . 2 . . . 1 A 1823 LEU HB3 . 30003 1 664 . 1 1 60 60 LEU HD11 H 1 0.98 . . 2 . . . 1 A 1823 LEU HD11 . 30003 1 665 . 1 1 60 60 LEU HD12 H 1 0.98 . . 2 . . . 1 A 1823 LEU HD12 . 30003 1 666 . 1 1 60 60 LEU HD13 H 1 0.98 . . 2 . . . 1 A 1823 LEU HD13 . 30003 1 667 . 1 1 60 60 LEU HD21 H 1 1.077 . . 2 . . . 1 A 1823 LEU HD21 . 30003 1 668 . 1 1 60 60 LEU HD22 H 1 1.077 . . 2 . . . 1 A 1823 LEU HD22 . 30003 1 669 . 1 1 60 60 LEU HD23 H 1 1.077 . . 2 . . . 1 A 1823 LEU HD23 . 30003 1 670 . 1 1 60 60 LEU HG H 1 1.877 . . 1 . . . 1 A 1823 LEU HG . 30003 1 671 . 1 1 60 60 LEU N N 15 119.375 . . 1 . . . 1 A 1823 LEU N . 30003 1 672 . 1 1 61 61 ILE CA C 13 64.981 . . 1 . . . 1 A 1824 ILE CA . 30003 1 673 . 1 1 61 61 ILE CB C 13 36.8988 . . 1 . . . 1 A 1824 ILE CB . 30003 1 674 . 1 1 61 61 ILE CD1 C 13 12.3246 . . 1 . . . 1 A 1824 ILE CD1 . 30003 1 675 . 1 1 61 61 ILE CG1 C 13 30.1138 . . 1 . . . 1 A 1824 ILE CG1 . 30003 1 676 . 1 1 61 61 ILE CG2 C 13 17.7056 . . 1 . . . 1 A 1824 ILE CG2 . 30003 1 677 . 1 1 61 61 ILE H H 1 8.738 . . 1 . . . 1 A 1824 ILE H . 30003 1 678 . 1 1 61 61 ILE HA H 1 3.625 . . 1 . . . 1 A 1824 ILE HA . 30003 1 679 . 1 1 61 61 ILE HB H 1 1.855 . . 1 . . . 1 A 1824 ILE HB . 30003 1 680 . 1 1 61 61 ILE HD11 H 1 0.529 . . 1 . . . 1 A 1824 ILE HD11 . 30003 1 681 . 1 1 61 61 ILE HD12 H 1 0.529 . . 1 . . . 1 A 1824 ILE HD12 . 30003 1 682 . 1 1 61 61 ILE HD13 H 1 0.529 . . 1 . . . 1 A 1824 ILE HD13 . 30003 1 683 . 1 1 61 61 ILE HG12 H 1 0.855 . . 2 . . . 1 A 1824 ILE HG12 . 30003 1 684 . 1 1 61 61 ILE HG13 H 1 1.447 . . 2 . . . 1 A 1824 ILE HG13 . 30003 1 685 . 1 1 61 61 ILE HG21 H 1 0.852 . . 1 . . . 1 A 1824 ILE HG21 . 30003 1 686 . 1 1 61 61 ILE HG22 H 1 0.852 . . 1 . . . 1 A 1824 ILE HG22 . 30003 1 687 . 1 1 61 61 ILE HG23 H 1 0.852 . . 1 . . . 1 A 1824 ILE HG23 . 30003 1 688 . 1 1 61 61 ILE N N 15 119.375 . . 1 . . . 1 A 1824 ILE N . 30003 1 689 . 1 1 62 62 ALA CA C 13 55.857 . . 1 . . . 1 A 1825 ALA CA . 30003 1 690 . 1 1 62 62 ALA CB C 13 18.4256 . . 1 . . . 1 A 1825 ALA CB . 30003 1 691 . 1 1 62 62 ALA H H 1 7.814 . . 1 . . . 1 A 1825 ALA H . 30003 1 692 . 1 1 62 62 ALA HA H 1 4.213 . . 1 . . . 1 A 1825 ALA HA . 30003 1 693 . 1 1 62 62 ALA HB1 H 1 1.656 . . 1 . . . 1 A 1825 ALA HB1 . 30003 1 694 . 1 1 62 62 ALA HB2 H 1 1.656 . . 1 . . . 1 A 1825 ALA HB2 . 30003 1 695 . 1 1 62 62 ALA HB3 H 1 1.656 . . 1 . . . 1 A 1825 ALA HB3 . 30003 1 696 . 1 1 62 62 ALA N N 15 122.806 . . 1 . . . 1 A 1825 ALA N . 30003 1 697 . 1 1 63 63 LEU CA C 13 58.197 . . 1 . . . 1 A 1826 LEU CA . 30003 1 698 . 1 1 63 63 LEU CB C 13 42.5128 . . 1 . . . 1 A 1826 LEU CB . 30003 1 699 . 1 1 63 63 LEU CD1 C 13 25.4348 . . 2 . . . 1 A 1826 LEU CD1 . 30003 1 700 . 1 1 63 63 LEU CD2 C 13 25.6688 . . 2 . . . 1 A 1826 LEU CD2 . 30003 1 701 . 1 1 63 63 LEU CG C 13 27.3068 . . 1 . . . 1 A 1826 LEU CG . 30003 1 702 . 1 1 63 63 LEU H H 1 8.018 . . 1 . . . 1 A 1826 LEU H . 30003 1 703 . 1 1 63 63 LEU HA H 1 4.223 . . 1 . . . 1 A 1826 LEU HA . 30003 1 704 . 1 1 63 63 LEU HB2 H 1 1.966 . . 2 . . . 1 A 1826 LEU HB2 . 30003 1 705 . 1 1 63 63 LEU HB3 H 1 2.154 . . 2 . . . 1 A 1826 LEU HB3 . 30003 1 706 . 1 1 63 63 LEU HD11 H 1 0.944 . . 2 . . . 1 A 1826 LEU HD11 . 30003 1 707 . 1 1 63 63 LEU HD12 H 1 0.944 . . 2 . . . 1 A 1826 LEU HD12 . 30003 1 708 . 1 1 63 63 LEU HD13 H 1 0.944 . . 2 . . . 1 A 1826 LEU HD13 . 30003 1 709 . 1 1 63 63 LEU HD21 H 1 1.068 . . 2 . . . 1 A 1826 LEU HD21 . 30003 1 710 . 1 1 63 63 LEU HD22 H 1 1.068 . . 2 . . . 1 A 1826 LEU HD22 . 30003 1 711 . 1 1 63 63 LEU HD23 H 1 1.068 . . 2 . . . 1 A 1826 LEU HD23 . 30003 1 712 . 1 1 63 63 LEU HG H 1 1.667 . . 1 . . . 1 A 1826 LEU HG . 30003 1 713 . 1 1 63 63 LEU N N 15 118.688 . . 1 . . . 1 A 1826 LEU N . 30003 1 714 . 1 1 64 64 CYS CA C 13 64.513 . . 1 . . . 1 A 1827 CYS CA . 30003 1 715 . 1 1 64 64 CYS CB C 13 26.3798 . . 1 . . . 1 A 1827 CYS CB . 30003 1 716 . 1 1 64 64 CYS H H 1 8.82 . . 1 . . . 1 A 1827 CYS H . 30003 1 717 . 1 1 64 64 CYS HA H 1 4.08 . . 1 . . . 1 A 1827 CYS HA . 30003 1 718 . 1 1 64 64 CYS HB2 H 1 3.021 . . 2 . . . 1 A 1827 CYS HB2 . 30003 1 719 . 1 1 64 64 CYS HB3 H 1 3.269 . . 2 . . . 1 A 1827 CYS HB3 . 30003 1 720 . 1 1 64 64 CYS N N 15 118.002 . . 1 . . . 1 A 1827 CYS N . 30003 1 721 . 1 1 65 65 CYS CA C 13 63.811 . . 1 . . . 1 A 1828 CYS CA . 30003 1 722 . 1 1 65 65 CYS CB C 13 26.6138 . . 1 . . . 1 A 1828 CYS CB . 30003 1 723 . 1 1 65 65 CYS H H 1 8.867 . . 1 . . . 1 A 1828 CYS H . 30003 1 724 . 1 1 65 65 CYS HA H 1 4.242 . . 1 . . . 1 A 1828 CYS HA . 30003 1 725 . 1 1 65 65 CYS HB2 H 1 2.985 . . 2 . . . 1 A 1828 CYS HB2 . 30003 1 726 . 1 1 65 65 CYS HB3 H 1 3.233 . . 2 . . . 1 A 1828 CYS HB3 . 30003 1 727 . 1 1 65 65 CYS N N 15 119.375 . . 1 . . . 1 A 1828 CYS N . 30003 1 728 . 1 1 66 66 TYR CA C 13 61.94 . . 1 . . . 1 A 1829 TYR CA . 30003 1 729 . 1 1 66 66 TYR CB C 13 38.3018 . . 1 . . . 1 A 1829 TYR CB . 30003 1 730 . 1 1 66 66 TYR CD1 C 13 133.3114 . . 3 . . . 1 A 1829 TYR CD1 . 30003 1 731 . 1 1 66 66 TYR CE1 C 13 118.1054 . . 1 . . . 1 A 1829 TYR CE1 . 30003 1 732 . 1 1 66 66 TYR H H 1 7.834 . . 1 . . . 1 A 1829 TYR H . 30003 1 733 . 1 1 66 66 TYR HA H 1 4.144 . . 1 . . . 1 A 1829 TYR HA . 30003 1 734 . 1 1 66 66 TYR HB2 H 1 3.219 . . 2 . . . 1 A 1829 TYR HB2 . 30003 1 735 . 1 1 66 66 TYR HB3 H 1 3.276 . . 2 . . . 1 A 1829 TYR HB3 . 30003 1 736 . 1 1 66 66 TYR HD1 H 1 7.209 . . 3 . . . 1 A 1829 TYR HD1 . 30003 1 737 . 1 1 66 66 TYR HD2 H 1 7.209 . . 3 . . . 1 A 1829 TYR HD2 . 30003 1 738 . 1 1 66 66 TYR HE1 H 1 6.849 . . 3 . . . 1 A 1829 TYR HE1 . 30003 1 739 . 1 1 66 66 TYR HE2 H 1 6.849 . . 3 . . . 1 A 1829 TYR HE2 . 30003 1 740 . 1 1 66 66 TYR N N 15 119.546 . . 1 . . . 1 A 1829 TYR N . 30003 1 741 . 1 1 67 67 HIS CA C 13 59.132 . . 1 . . . 1 A 1830 HIS CA . 30003 1 742 . 1 1 67 67 HIS CB C 13 27.7838 . . 1 . . . 1 A 1830 HIS CB . 30003 1 743 . 1 1 67 67 HIS CD2 C 13 129.7844 . . . . . . 1 A 1830 HIS CD2 . 30003 1 744 . 1 1 67 67 HIS CE1 C 13 140.3124 . . 1 . . . 1 A 1830 HIS CE1 . 30003 1 745 . 1 1 67 67 HIS H H 1 8.265 . . 1 . . . 1 A 1830 HIS H . 30003 1 746 . 1 1 67 67 HIS HA H 1 4.367 . . 1 . . . 1 A 1830 HIS HA . 30003 1 747 . 1 1 67 67 HIS HB2 H 1 3.226 . . 2 . . . 1 A 1830 HIS HB2 . 30003 1 748 . 1 1 67 67 HIS HB3 H 1 3.639 . . 2 . . . 1 A 1830 HIS HB3 . 30003 1 749 . 1 1 67 67 HIS HD2 H 1 7.204 . . 1 . . . 1 A 1830 HIS HD2 . 30003 1 750 . 1 1 67 67 HIS HE1 H 1 8.084 . . 1 . . . 1 A 1830 HIS HE1 . 30003 1 751 . 1 1 67 67 HIS N N 15 116.801 . . 1 . . . 1 A 1830 HIS N . 30003 1 752 . 1 1 68 68 ALA CA C 13 54.921 . . 1 . . . 1 A 1831 ALA CA . 30003 1 753 . 1 1 68 68 ALA CB C 13 20.0636 . . 1 . . . 1 A 1831 ALA CB . 30003 1 754 . 1 1 68 68 ALA H H 1 8.799 . . 1 . . . 1 A 1831 ALA H . 30003 1 755 . 1 1 68 68 ALA HA H 1 4.046 . . 1 . . . 1 A 1831 ALA HA . 30003 1 756 . 1 1 68 68 ALA HB1 H 1 1.659 . . 1 . . . 1 A 1831 ALA HB1 . 30003 1 757 . 1 1 68 68 ALA HB2 H 1 1.659 . . 1 . . . 1 A 1831 ALA HB2 . 30003 1 758 . 1 1 68 68 ALA HB3 H 1 1.659 . . 1 . . . 1 A 1831 ALA HB3 . 30003 1 759 . 1 1 68 68 ALA N N 15 121.948 . . 1 . . . 1 A 1831 ALA N . 30003 1 760 . 1 1 69 69 LYS CA C 13 58.197 . . 1 . . . 1 A 1832 LYS CA . 30003 1 761 . 1 1 69 69 LYS CB C 13 32.4538 . . 1 . . . 1 A 1832 LYS CB . 30003 1 762 . 1 1 69 69 LYS CD C 13 29.4118 . . 1 . . . 1 A 1832 LYS CD . 30003 1 763 . 1 1 69 69 LYS CE C 13 42.0448 . . 1 . . . 1 A 1832 LYS CE . 30003 1 764 . 1 1 69 69 LYS CG C 13 25.2008 . . 1 . . . 1 A 1832 LYS CG . 30003 1 765 . 1 1 69 69 LYS H H 1 7.229 . . 1 . . . 1 A 1832 LYS H . 30003 1 766 . 1 1 69 69 LYS HA H 1 3.75 . . 1 . . . 1 A 1832 LYS HA . 30003 1 767 . 1 1 69 69 LYS HB2 H 1 1.439 . . 2 . . . 1 A 1832 LYS HB2 . 30003 1 768 . 1 1 69 69 LYS HB3 H 1 1.585 . . 2 . . . 1 A 1832 LYS HB3 . 30003 1 769 . 1 1 69 69 LYS HD2 H 1 1.552 . . 2 . . . 1 A 1832 LYS HD2 . 30003 1 770 . 1 1 69 69 LYS HD3 H 1 1.552 . . 2 . . . 1 A 1832 LYS HD3 . 30003 1 771 . 1 1 69 69 LYS HE2 H 1 2.856 . . 2 . . . 1 A 1832 LYS HE2 . 30003 1 772 . 1 1 69 69 LYS HE3 H 1 2.856 . . 2 . . . 1 A 1832 LYS HE3 . 30003 1 773 . 1 1 69 69 LYS HG2 H 1 1.164 . . 2 . . . 1 A 1832 LYS HG2 . 30003 1 774 . 1 1 69 69 LYS HG3 H 1 1.357 . . 2 . . . 1 A 1832 LYS HG3 . 30003 1 775 . 1 1 69 69 LYS N N 15 113.885 . . 1 . . . 1 A 1832 LYS N . 30003 1 776 . 1 1 70 70 HIS CA C 13 54.921 . . 1 . . . 1 A 1833 HIS CA . 30003 1 777 . 1 1 70 70 HIS CB C 13 30.5908 . . 1 . . . 1 A 1833 HIS CB . 30003 1 778 . 1 1 70 70 HIS CD2 C 13 121.5964 . . . . . . 1 A 1833 HIS CD2 . 30003 1 779 . 1 1 70 70 HIS CE1 C 13 137.2704 . . 1 . . . 1 A 1833 HIS CE1 . 30003 1 780 . 1 1 70 70 HIS H H 1 7.01 . . 1 . . . 1 A 1833 HIS H . 30003 1 781 . 1 1 70 70 HIS HA H 1 4.718 . . 1 . . . 1 A 1833 HIS HA . 30003 1 782 . 1 1 70 70 HIS HB2 H 1 2.811 . . 2 . . . 1 A 1833 HIS HB2 . 30003 1 783 . 1 1 70 70 HIS HB3 H 1 3.397 . . 2 . . . 1 A 1833 HIS HB3 . 30003 1 784 . 1 1 70 70 HIS HD2 H 1 6.975 . . 1 . . . 1 A 1833 HIS HD2 . 30003 1 785 . 1 1 70 70 HIS HE1 H 1 7.796 . . 1 . . . 1 A 1833 HIS HE1 . 30003 1 786 . 1 1 70 70 HIS N N 15 113.37 . . 1 . . . 1 A 1833 HIS N . 30003 1 787 . 1 1 71 71 CYS CA C 13 60.068 . . 1 . . . 1 A 1834 CYS CA . 30003 1 788 . 1 1 71 71 CYS CB C 13 30.1228 . . 1 . . . 1 A 1834 CYS CB . 30003 1 789 . 1 1 71 71 CYS H H 1 6.962 . . 1 . . . 1 A 1834 CYS H . 30003 1 790 . 1 1 71 71 CYS HA H 1 4.093 . . 1 . . . 1 A 1834 CYS HA . 30003 1 791 . 1 1 71 71 CYS HB2 H 1 1.811 . . 2 . . . 1 A 1834 CYS HB2 . 30003 1 792 . 1 1 71 71 CYS HB3 H 1 2.466 . . 2 . . . 1 A 1834 CYS HB3 . 30003 1 793 . 1 1 71 71 CYS N N 15 123.664 . . 1 . . . 1 A 1834 CYS N . 30003 1 794 . 1 1 72 72 GLN CA C 13 54.4538 . . 1 . . . 1 A 1835 GLN CA . 30003 1 795 . 1 1 72 72 GLN CB C 13 29.1868 . . 1 . . . 1 A 1835 GLN CB . 30003 1 796 . 1 1 72 72 GLN CG C 13 33.3978 . . 1 . . . 1 A 1835 GLN CG . 30003 1 797 . 1 1 72 72 GLN H H 1 9.067 . . 1 . . . 1 A 1835 GLN H . 30003 1 798 . 1 1 72 72 GLN HA H 1 4.672 . . 1 . . . 1 A 1835 GLN HA . 30003 1 799 . 1 1 72 72 GLN HB2 H 1 1.851 . . 2 . . . 1 A 1835 GLN HB2 . 30003 1 800 . 1 1 72 72 GLN HB3 H 1 2.451 . . 2 . . . 1 A 1835 GLN HB3 . 30003 1 801 . 1 1 72 72 GLN HE21 H 1 6.733 . . 2 . . . 1 A 1835 GLN HE21 . 30003 1 802 . 1 1 72 72 GLN HE22 H 1 7.305 . . 2 . . . 1 A 1835 GLN HE22 . 30003 1 803 . 1 1 72 72 GLN HG2 H 1 2.329 . . 2 . . . 1 A 1835 GLN HG2 . 30003 1 804 . 1 1 72 72 GLN HG3 H 1 2.382 . . 2 . . . 1 A 1835 GLN HG3 . 30003 1 805 . 1 1 72 72 GLN N N 15 128.124 . . 1 . . . 1 A 1835 GLN N . 30003 1 806 . 1 1 72 72 GLN NE2 N 15 112.169 . . 1 . . . 1 A 1835 GLN NE2 . 30003 1 807 . 1 1 73 73 GLU CA C 13 55.623 . . 1 . . . 1 A 1836 GLU CA . 30003 1 808 . 1 1 73 73 GLU CB C 13 30.5908 . . 1 . . . 1 A 1836 GLU CB . 30003 1 809 . 1 1 73 73 GLU CG C 13 35.7378 . . 1 . . . 1 A 1836 GLU CG . 30003 1 810 . 1 1 73 73 GLU H H 1 8.312 . . 1 . . . 1 A 1836 GLU H . 30003 1 811 . 1 1 73 73 GLU HA H 1 4.406 . . 1 . . . 1 A 1836 GLU HA . 30003 1 812 . 1 1 73 73 GLU HB2 H 1 1.954 . . 2 . . . 1 A 1836 GLU HB2 . 30003 1 813 . 1 1 73 73 GLU HB3 H 1 2.035 . . 2 . . . 1 A 1836 GLU HB3 . 30003 1 814 . 1 1 73 73 GLU HG2 H 1 2.33 . . 2 . . . 1 A 1836 GLU HG2 . 30003 1 815 . 1 1 73 73 GLU HG3 H 1 2.408 . . 2 . . . 1 A 1836 GLU HG3 . 30003 1 816 . 1 1 73 73 GLU N N 15 123.149 . . 1 . . . 1 A 1836 GLU N . 30003 1 817 . 1 1 74 74 ASN CA C 13 54.921 . . 1 . . . 1 A 1837 ASN CA . 30003 1 818 . 1 1 74 74 ASN CB C 13 38.5448 . . 1 . . . 1 A 1837 ASN CB . 30003 1 819 . 1 1 74 74 ASN H H 1 8.78 . . 1 . . . 1 A 1837 ASN H . 30003 1 820 . 1 1 74 74 ASN HA H 1 4.555 . . 1 . . . 1 A 1837 ASN HA . 30003 1 821 . 1 1 74 74 ASN HB2 H 1 2.84 . . 2 . . . 1 A 1837 ASN HB2 . 30003 1 822 . 1 1 74 74 ASN HB3 H 1 2.84 . . 2 . . . 1 A 1837 ASN HB3 . 30003 1 823 . 1 1 74 74 ASN HD21 H 1 6.943 . . 2 . . . 1 A 1837 ASN HD21 . 30003 1 824 . 1 1 74 74 ASN HD22 H 1 7.579 . . 2 . . . 1 A 1837 ASN HD22 . 30003 1 825 . 1 1 74 74 ASN N N 15 124.178 . . 1 . . . 1 A 1837 ASN N . 30003 1 826 . 1 1 74 74 ASN ND2 N 15 112.684 . . 1 . . . 1 A 1837 ASN ND2 . 30003 1 827 . 1 1 75 75 LYS CA C 13 54.6788 . . 1 . . . 1 A 1838 LYS CA . 30003 1 828 . 1 1 75 75 LYS CB C 13 31.0498 . . 1 . . . 1 A 1838 LYS CB . 30003 1 829 . 1 1 75 75 LYS CD C 13 29.1778 . . 1 . . . 1 A 1838 LYS CD . 30003 1 830 . 1 1 75 75 LYS CE C 13 42.0448 . . 1 . . . 1 A 1838 LYS CE . 30003 1 831 . 1 1 75 75 LYS CG C 13 24.7246 . . 1 . . . 1 A 1838 LYS CG . 30003 1 832 . 1 1 75 75 LYS H H 1 8.724 . . 1 . . . 1 A 1838 LYS H . 30003 1 833 . 1 1 75 75 LYS HA H 1 4.463 . . 1 . . . 1 A 1838 LYS HA . 30003 1 834 . 1 1 75 75 LYS HB2 H 1 1.663 . . 2 . . . 1 A 1838 LYS HB2 . 30003 1 835 . 1 1 75 75 LYS HB3 H 1 1.912 . . 2 . . . 1 A 1838 LYS HB3 . 30003 1 836 . 1 1 75 75 LYS HD2 H 1 1.691 . . 2 . . . 1 A 1838 LYS HD2 . 30003 1 837 . 1 1 75 75 LYS HD3 H 1 1.691 . . 2 . . . 1 A 1838 LYS HD3 . 30003 1 838 . 1 1 75 75 LYS HE2 H 1 3.002 . . 2 . . . 1 A 1838 LYS HE2 . 30003 1 839 . 1 1 75 75 LYS HE3 H 1 3.002 . . 2 . . . 1 A 1838 LYS HE3 . 30003 1 840 . 1 1 75 75 LYS HG2 H 1 1.338 . . 2 . . . 1 A 1838 LYS HG2 . 30003 1 841 . 1 1 75 75 LYS HG3 H 1 1.384 . . 2 . . . 1 A 1838 LYS HG3 . 30003 1 842 . 1 1 75 75 LYS N N 15 121.262 . . 1 . . . 1 A 1838 LYS N . 30003 1 843 . 1 1 76 76 CYS CA C 13 57.495 . . 1 . . . 1 A 1839 CYS CA . 30003 1 844 . 1 1 76 76 CYS CB C 13 30.8248 . . 1 . . . 1 A 1839 CYS CB . 30003 1 845 . 1 1 76 76 CYS H H 1 7.154 . . 1 . . . 1 A 1839 CYS H . 30003 1 846 . 1 1 76 76 CYS HA H 1 4.419 . . 1 . . . 1 A 1839 CYS HA . 30003 1 847 . 1 1 76 76 CYS HB2 H 1 2.876 . . 2 . . . 1 A 1839 CYS HB2 . 30003 1 848 . 1 1 76 76 CYS HB3 H 1 2.957 . . 2 . . . 1 A 1839 CYS HB3 . 30003 1 849 . 1 1 76 76 CYS N N 15 124.35 . . 1 . . . 1 A 1839 CYS N . 30003 1 850 . 1 1 77 77 PRO CA C 13 63.109 . . 1 . . . 1 A 1840 PRO CA . 30003 1 851 . 1 1 77 77 PRO CB C 13 32.2198 . . 1 . . . 1 A 1840 PRO CB . 30003 1 852 . 1 1 77 77 PRO CD C 13 51.4028 . . 1 . . . 1 A 1840 PRO CD . 30003 1 853 . 1 1 77 77 PRO CG C 13 26.3708 . . 1 . . . 1 A 1840 PRO CG . 30003 1 854 . 1 1 77 77 PRO HA H 1 4.669 . . 1 . . . 1 A 1840 PRO HA . 30003 1 855 . 1 1 77 77 PRO HB2 H 1 2.043 . . 2 . . . 1 A 1840 PRO HB2 . 30003 1 856 . 1 1 77 77 PRO HB3 H 1 2.143 . . 2 . . . 1 A 1840 PRO HB3 . 30003 1 857 . 1 1 77 77 PRO HD2 H 1 3.839 . . 2 . . . 1 A 1840 PRO HD2 . 30003 1 858 . 1 1 77 77 PRO HD3 H 1 4.274 . . 2 . . . 1 A 1840 PRO HD3 . 30003 1 859 . 1 1 77 77 PRO HG2 H 1 1.723 . . 2 . . . 1 A 1840 PRO HG2 . 30003 1 860 . 1 1 77 77 PRO HG3 H 1 2.048 . . 2 . . . 1 A 1840 PRO HG3 . 30003 1 861 . 1 1 78 78 VAL CA C 13 61.94 . . 1 . . . 1 A 1841 VAL CA . 30003 1 862 . 1 1 78 78 VAL CB C 13 31.7518 . . 1 . . . 1 A 1841 VAL CB . 30003 1 863 . 1 1 78 78 VAL CG1 C 13 23.0866 . . 2 . . . 1 A 1841 VAL CG1 . 30003 1 864 . 1 1 78 78 VAL CG2 C 13 20.9806 . . 2 . . . 1 A 1841 VAL CG2 . 30003 1 865 . 1 1 78 78 VAL H H 1 8.904 . . 1 . . . 1 A 1841 VAL H . 30003 1 866 . 1 1 78 78 VAL HA H 1 4.186 . . 1 . . . 1 A 1841 VAL HA . 30003 1 867 . 1 1 78 78 VAL HB H 1 2.21 . . 1 . . . 1 A 1841 VAL HB . 30003 1 868 . 1 1 78 78 VAL HG11 H 1 0.448 . . 2 . . . 1 A 1841 VAL HG11 . 30003 1 869 . 1 1 78 78 VAL HG12 H 1 0.448 . . 2 . . . 1 A 1841 VAL HG12 . 30003 1 870 . 1 1 78 78 VAL HG13 H 1 0.448 . . 2 . . . 1 A 1841 VAL HG13 . 30003 1 871 . 1 1 78 78 VAL HG21 H 1 0.845 . . 2 . . . 1 A 1841 VAL HG21 . 30003 1 872 . 1 1 78 78 VAL HG22 H 1 0.845 . . 2 . . . 1 A 1841 VAL HG22 . 30003 1 873 . 1 1 78 78 VAL HG23 H 1 0.845 . . 2 . . . 1 A 1841 VAL HG23 . 30003 1 874 . 1 1 78 78 VAL N N 15 127.952 . . 1 . . . 1 A 1841 VAL N . 30003 1 875 . 1 1 79 79 PRO CA C 13 64.279 . . 1 . . . 1 A 1842 PRO CA . 30003 1 876 . 1 1 79 79 PRO CB C 13 31.2838 . . 1 . . . 1 A 1842 PRO CB . 30003 1 877 . 1 1 79 79 PRO CD C 13 51.4028 . . 1 . . . 1 A 1842 PRO CD . 30003 1 878 . 1 1 79 79 PRO CG C 13 28.0088 . . 1 . . . 1 A 1842 PRO CG . 30003 1 879 . 1 1 79 79 PRO HA H 1 3.974 . . 1 . . . 1 A 1842 PRO HA . 30003 1 880 . 1 1 79 79 PRO HB2 H 1 1.566 . . 2 . . . 1 A 1842 PRO HB2 . 30003 1 881 . 1 1 79 79 PRO HB3 H 1 1.802 . . 2 . . . 1 A 1842 PRO HB3 . 30003 1 882 . 1 1 79 79 PRO HD2 H 1 3.483 . . 2 . . . 1 A 1842 PRO HD2 . 30003 1 883 . 1 1 79 79 PRO HD3 H 1 4.151 . . 2 . . . 1 A 1842 PRO HD3 . 30003 1 884 . 1 1 79 79 PRO HG2 H 1 1.83 . . 2 . . . 1 A 1842 PRO HG2 . 30003 1 885 . 1 1 79 79 PRO HG3 H 1 1.928 . . 2 . . . 1 A 1842 PRO HG3 . 30003 1 886 . 1 1 80 80 PHE CA C 13 59.6 . . 1 . . . 1 A 1843 PHE CA . 30003 1 887 . 1 1 80 80 PHE CB C 13 37.8338 . . 1 . . . 1 A 1843 PHE CB . 30003 1 888 . 1 1 80 80 PHE CD1 C 13 132.3754 . . 3 . . . 1 A 1843 PHE CD1 . 30003 1 889 . 1 1 80 80 PHE CE1 C 13 130.9724 . . 3 . . . 1 A 1843 PHE CE1 . 30003 1 890 . 1 1 80 80 PHE HA H 1 4.33 . . 1 . . . 1 A 1843 PHE HA . 30003 1 891 . 1 1 80 80 PHE HB2 H 1 3.398 . . 2 . . . 1 A 1843 PHE HB2 . 30003 1 892 . 1 1 80 80 PHE HB3 H 1 3.471 . . 2 . . . 1 A 1843 PHE HB3 . 30003 1 893 . 1 1 80 80 PHE HD1 H 1 7.276 . . 3 . . . 1 A 1843 PHE HD1 . 30003 1 894 . 1 1 80 80 PHE HD2 H 1 7.276 . . 3 . . . 1 A 1843 PHE HD2 . 30003 1 895 . 1 1 80 80 PHE HE1 H 1 7.324 . . 3 . . . 1 A 1843 PHE HE1 . 30003 1 896 . 1 1 80 80 PHE HE2 H 1 7.324 . . 3 . . . 1 A 1843 PHE HE2 . 30003 1 897 . 1 1 80 80 PHE HZ H 1 7.15 . . 1 . . . 1 A 1843 PHE HZ . 30003 1 898 . 1 1 81 81 CYS CA C 13 64.981 . . 1 . . . 1 A 1844 CYS CA . 30003 1 899 . 1 1 81 81 CYS CB C 13 29.8888 . . 1 . . . 1 A 1844 CYS CB . 30003 1 900 . 1 1 81 81 CYS H H 1 7.646 . . 1 . . . 1 A 1844 CYS H . 30003 1 901 . 1 1 81 81 CYS HA H 1 4.021 . . 1 . . . 1 A 1844 CYS HA . 30003 1 902 . 1 1 81 81 CYS HB2 H 1 2.872 . . 2 . . . 1 A 1844 CYS HB2 . 30003 1 903 . 1 1 81 81 CYS HB3 H 1 3.197 . . 2 . . . 1 A 1844 CYS HB3 . 30003 1 904 . 1 1 81 81 CYS N N 15 123.664 . . 1 . . . 1 A 1844 CYS N . 30003 1 905 . 1 1 82 82 LEU CA C 13 58.664 . . 1 . . . 1 A 1845 LEU CA . 30003 1 906 . 1 1 82 82 LEU CB C 13 41.1098 . . 1 . . . 1 A 1845 LEU CB . 30003 1 907 . 1 1 82 82 LEU CD1 C 13 24.4906 . . 2 . . . 1 A 1845 LEU CD1 . 30003 1 908 . 1 1 82 82 LEU CD2 C 13 24.7246 . . 2 . . . 1 A 1845 LEU CD2 . 30003 1 909 . 1 1 82 82 LEU CG C 13 27.0728 . . 1 . . . 1 A 1845 LEU CG . 30003 1 910 . 1 1 82 82 LEU H H 1 8.145 . . 1 . . . 1 A 1845 LEU H . 30003 1 911 . 1 1 82 82 LEU HA H 1 4.025 . . 1 . . . 1 A 1845 LEU HA . 30003 1 912 . 1 1 82 82 LEU HB2 H 1 1.607 . . 2 . . . 1 A 1845 LEU HB2 . 30003 1 913 . 1 1 82 82 LEU HB3 H 1 1.796 . . 2 . . . 1 A 1845 LEU HB3 . 30003 1 914 . 1 1 82 82 LEU HD11 H 1 0.984 . . 2 . . . 1 A 1845 LEU HD11 . 30003 1 915 . 1 1 82 82 LEU HD12 H 1 0.984 . . 2 . . . 1 A 1845 LEU HD12 . 30003 1 916 . 1 1 82 82 LEU HD13 H 1 0.984 . . 2 . . . 1 A 1845 LEU HD13 . 30003 1 917 . 1 1 82 82 LEU HD21 H 1 1 . . 2 . . . 1 A 1845 LEU HD21 . 30003 1 918 . 1 1 82 82 LEU HD22 H 1 1 . . 2 . . . 1 A 1845 LEU HD22 . 30003 1 919 . 1 1 82 82 LEU HD23 H 1 1 . . 2 . . . 1 A 1845 LEU HD23 . 30003 1 920 . 1 1 82 82 LEU HG H 1 1.721 . . 1 . . . 1 A 1845 LEU HG . 30003 1 921 . 1 1 82 82 LEU N N 15 114.914 . . 1 . . . 1 A 1845 LEU N . 30003 1 922 . 1 1 83 83 ASN CA C 13 56.325 . . 1 . . . 1 A 1846 ASN CA . 30003 1 923 . 1 1 83 83 ASN CB C 13 38.7788 . . 1 . . . 1 A 1846 ASN CB . 30003 1 924 . 1 1 83 83 ASN H H 1 7.831 . . 1 . . . 1 A 1846 ASN H . 30003 1 925 . 1 1 83 83 ASN HA H 1 4.488 . . 1 . . . 1 A 1846 ASN HA . 30003 1 926 . 1 1 83 83 ASN HB2 H 1 2.935 . . 2 . . . 1 A 1846 ASN HB2 . 30003 1 927 . 1 1 83 83 ASN HB3 H 1 2.935 . . 2 . . . 1 A 1846 ASN HB3 . 30003 1 928 . 1 1 83 83 ASN HD21 H 1 7.677 . . 2 . . . 1 A 1846 ASN HD21 . 30003 1 929 . 1 1 83 83 ASN HD22 H 1 7.007 . . 2 . . . 1 A 1846 ASN HD22 . 30003 1 930 . 1 1 83 83 ASN N N 15 116.115 . . 1 . . . 1 A 1846 ASN N . 30003 1 931 . 1 1 83 83 ASN ND2 N 15 111.655 . . 1 . . . 1 A 1846 ASN ND2 . 30003 1 932 . 1 1 84 84 ILE CA C 13 65.215 . . 1 . . . 1 A 1847 ILE CA . 30003 1 933 . 1 1 84 84 ILE CB C 13 37.8338 . . 1 . . . 1 A 1847 ILE CB . 30003 1 934 . 1 1 84 84 ILE CD1 C 13 14.6646 . . 1 . . . 1 A 1847 ILE CD1 . 30003 1 935 . 1 1 84 84 ILE CG1 C 13 29.1778 . . 1 . . . 1 A 1847 ILE CG1 . 30003 1 936 . 1 1 84 84 ILE CG2 C 13 18.8756 . . 1 . . . 1 A 1847 ILE CG2 . 30003 1 937 . 1 1 84 84 ILE H H 1 8.677 . . 1 . . . 1 A 1847 ILE H . 30003 1 938 . 1 1 84 84 ILE HA H 1 3.739 . . 1 . . . 1 A 1847 ILE HA . 30003 1 939 . 1 1 84 84 ILE HB H 1 2.011 . . 1 . . . 1 A 1847 ILE HB . 30003 1 940 . 1 1 84 84 ILE HD11 H 1 0.895 . . 1 . . . 1 A 1847 ILE HD11 . 30003 1 941 . 1 1 84 84 ILE HD12 H 1 0.895 . . 1 . . . 1 A 1847 ILE HD12 . 30003 1 942 . 1 1 84 84 ILE HD13 H 1 0.895 . . 1 . . . 1 A 1847 ILE HD13 . 30003 1 943 . 1 1 84 84 ILE HG12 H 1 1.129 . . 2 . . . 1 A 1847 ILE HG12 . 30003 1 944 . 1 1 84 84 ILE HG13 H 1 1.949 . . 2 . . . 1 A 1847 ILE HG13 . 30003 1 945 . 1 1 84 84 ILE HG21 H 1 0.981 . . 1 . . . 1 A 1847 ILE HG21 . 30003 1 946 . 1 1 84 84 ILE HG22 H 1 0.981 . . 1 . . . 1 A 1847 ILE HG22 . 30003 1 947 . 1 1 84 84 ILE HG23 H 1 0.981 . . 1 . . . 1 A 1847 ILE HG23 . 30003 1 948 . 1 1 84 84 ILE N N 15 121.605 . . 1 . . . 1 A 1847 ILE N . 30003 1 949 . 1 1 85 85 LYS CA C 13 61.238 . . 1 . . . 1 A 1848 LYS CA . 30003 1 950 . 1 1 85 85 LYS CB C 13 32.4538 . . 1 . . . 1 A 1848 LYS CB . 30003 1 951 . 1 1 85 85 LYS CD C 13 30.3478 . . 1 . . . 1 A 1848 LYS CD . 30003 1 952 . 1 1 85 85 LYS CE C 13 42.2788 . . 1 . . . 1 A 1848 LYS CE . 30003 1 953 . 1 1 85 85 LYS CG C 13 26.8388 . . 1 . . . 1 A 1848 LYS CG . 30003 1 954 . 1 1 85 85 LYS H H 1 8.936 . . 1 . . . 1 A 1848 LYS H . 30003 1 955 . 1 1 85 85 LYS HA H 1 3.868 . . 1 . . . 1 A 1848 LYS HA . 30003 1 956 . 1 1 85 85 LYS HB2 H 1 1.778 . . 2 . . . 1 A 1848 LYS HB2 . 30003 1 957 . 1 1 85 85 LYS HB3 H 1 2.043 . . 2 . . . 1 A 1848 LYS HB3 . 30003 1 958 . 1 1 85 85 LYS HD2 H 1 1.692 . . 2 . . . 1 A 1848 LYS HD2 . 30003 1 959 . 1 1 85 85 LYS HD3 H 1 1.692 . . 2 . . . 1 A 1848 LYS HD3 . 30003 1 960 . 1 1 85 85 LYS HE2 H 1 3.193 . . 2 . . . 1 A 1848 LYS HE2 . 30003 1 961 . 1 1 85 85 LYS HE3 H 1 3.379 . . 2 . . . 1 A 1848 LYS HE3 . 30003 1 962 . 1 1 85 85 LYS HG2 H 1 1.399 . . 2 . . . 1 A 1848 LYS HG2 . 30003 1 963 . 1 1 85 85 LYS HG3 H 1 2.05 . . 2 . . . 1 A 1848 LYS HG3 . 30003 1 964 . 1 1 85 85 LYS N N 15 119.889 . . 1 . . . 1 A 1848 LYS N . 30003 1 965 . 1 1 86 86 HIS CA C 13 59.132 . . 1 . . . 1 A 1849 HIS CA . 30003 1 966 . 1 1 86 86 HIS CB C 13 30.1228 . . 1 . . . 1 A 1849 HIS CB . 30003 1 967 . 1 1 86 86 HIS CD2 C 13 119.0224 . . . . . . 1 A 1849 HIS CD2 . 30003 1 968 . 1 1 86 86 HIS CE1 C 13 137.9724 . . 1 . . . 1 A 1849 HIS CE1 . 30003 1 969 . 1 1 86 86 HIS H H 1 7.978 . . 1 . . . 1 A 1849 HIS H . 30003 1 970 . 1 1 86 86 HIS HA H 1 4.41 . . 1 . . . 1 A 1849 HIS HA . 30003 1 971 . 1 1 86 86 HIS HB2 H 1 3.312 . . 2 . . . 1 A 1849 HIS HB2 . 30003 1 972 . 1 1 86 86 HIS HB3 H 1 3.312 . . 2 . . . 1 A 1849 HIS HB3 . 30003 1 973 . 1 1 86 86 HIS HD2 H 1 7.068 . . 1 . . . 1 A 1849 HIS HD2 . 30003 1 974 . 1 1 86 86 HIS HE1 H 1 7.917 . . 1 . . . 1 A 1849 HIS HE1 . 30003 1 975 . 1 1 86 86 HIS N N 15 116.97 . . 1 . . . 1 A 1849 HIS N . 30003 1 976 . 1 1 87 87 LYS CA C 13 58.431 . . 1 . . . 1 A 1850 LYS CA . 30003 1 977 . 1 1 87 87 LYS CB C 13 32.2198 . . 1 . . . 1 A 1850 LYS CB . 30003 1 978 . 1 1 87 87 LYS CD C 13 28.9438 . . 1 . . . 1 A 1850 LYS CD . 30003 1 979 . 1 1 87 87 LYS CE C 13 41.8118 . . 1 . . . 1 A 1850 LYS CE . 30003 1 980 . 1 1 87 87 LYS CG C 13 24.9668 . . 1 . . . 1 A 1850 LYS CG . 30003 1 981 . 1 1 87 87 LYS H H 1 7.721 . . 1 . . . 1 A 1850 LYS H . 30003 1 982 . 1 1 87 87 LYS HA H 1 4.121 . . 1 . . . 1 A 1850 LYS HA . 30003 1 983 . 1 1 87 87 LYS HB2 H 1 2.014 . . 2 . . . 1 A 1850 LYS HB2 . 30003 1 984 . 1 1 87 87 LYS HB3 H 1 2.044 . . 2 . . . 1 A 1850 LYS HB3 . 30003 1 985 . 1 1 87 87 LYS HD2 H 1 1.719 . . 2 . . . 1 A 1850 LYS HD2 . 30003 1 986 . 1 1 87 87 LYS HD3 H 1 1.719 . . 2 . . . 1 A 1850 LYS HD3 . 30003 1 987 . 1 1 87 87 LYS HE2 H 1 3.017 . . 2 . . . 1 A 1850 LYS HE2 . 30003 1 988 . 1 1 87 87 LYS HE3 H 1 3.017 . . 2 . . . 1 A 1850 LYS HE3 . 30003 1 989 . 1 1 87 87 LYS HG2 H 1 1.512 . . 2 . . . 1 A 1850 LYS HG2 . 30003 1 990 . 1 1 87 87 LYS HG3 H 1 1.63 . . 2 . . . 1 A 1850 LYS HG3 . 30003 1 991 . 1 1 87 87 LYS N N 15 119.718 . . 1 . . . 1 A 1850 LYS N . 30003 1 992 . 1 1 88 88 LEU CA C 13 57.027 . . 1 . . . 1 A 1851 LEU CA . 30003 1 993 . 1 1 88 88 LEU CB C 13 41.8118 . . 1 . . . 1 A 1851 LEU CB . 30003 1 994 . 1 1 88 88 LEU CD1 C 13 22.6186 . . 2 . . . 1 A 1851 LEU CD1 . 30003 1 995 . 1 1 88 88 LEU CD2 C 13 25.9028 . . 2 . . . 1 A 1851 LEU CD2 . 30003 1 996 . 1 1 88 88 LEU CG C 13 26.6048 . . 1 . . . 1 A 1851 LEU CG . 30003 1 997 . 1 1 88 88 LEU H H 1 8.456 . . 1 . . . 1 A 1851 LEU H . 30003 1 998 . 1 1 88 88 LEU HA H 1 4.117 . . 1 . . . 1 A 1851 LEU HA . 30003 1 999 . 1 1 88 88 LEU HB2 H 1 1.522 . . 2 . . . 1 A 1851 LEU HB2 . 30003 1 1000 . 1 1 88 88 LEU HB3 H 1 1.898 . . 2 . . . 1 A 1851 LEU HB3 . 30003 1 1001 . 1 1 88 88 LEU HD11 H 1 0.85 . . 2 . . . 1 A 1851 LEU HD11 . 30003 1 1002 . 1 1 88 88 LEU HD12 H 1 0.85 . . 2 . . . 1 A 1851 LEU HD12 . 30003 1 1003 . 1 1 88 88 LEU HD13 H 1 0.85 . . 2 . . . 1 A 1851 LEU HD13 . 30003 1 1004 . 1 1 88 88 LEU HD21 H 1 0.834 . . 2 . . . 1 A 1851 LEU HD21 . 30003 1 1005 . 1 1 88 88 LEU HD22 H 1 0.834 . . 2 . . . 1 A 1851 LEU HD22 . 30003 1 1006 . 1 1 88 88 LEU HD23 H 1 0.834 . . 2 . . . 1 A 1851 LEU HD23 . 30003 1 1007 . 1 1 88 88 LEU HG H 1 1.881 . . 1 . . . 1 A 1851 LEU HG . 30003 1 1008 . 1 1 88 88 LEU N N 15 119.203 . . 1 . . . 1 A 1851 LEU N . 30003 1 1009 . 1 1 89 89 ARG CA C 13 57.729 . . 1 . . . 1 A 1852 ARG CA . 30003 1 1010 . 1 1 89 89 ARG CB C 13 30.1228 . . 1 . . . 1 A 1852 ARG CB . 30003 1 1011 . 1 1 89 89 ARG CD C 13 43.4578 . . 1 . . . 1 A 1852 ARG CD . 30003 1 1012 . 1 1 89 89 ARG CG C 13 27.5498 . . 1 . . . 1 A 1852 ARG CG . 30003 1 1013 . 1 1 89 89 ARG H H 1 7.787 . . 1 . . . 1 A 1852 ARG H . 30003 1 1014 . 1 1 89 89 ARG HA H 1 4.223 . . 1 . . . 1 A 1852 ARG HA . 30003 1 1015 . 1 1 89 89 ARG HB2 H 1 1.929 . . 2 . . . 1 A 1852 ARG HB2 . 30003 1 1016 . 1 1 89 89 ARG HB3 H 1 1.974 . . 2 . . . 1 A 1852 ARG HB3 . 30003 1 1017 . 1 1 89 89 ARG HD2 H 1 3.243 . . 2 . . . 1 A 1852 ARG HD2 . 30003 1 1018 . 1 1 89 89 ARG HD3 H 1 3.243 . . 2 . . . 1 A 1852 ARG HD3 . 30003 1 1019 . 1 1 89 89 ARG HG2 H 1 1.717 . . 2 . . . 1 A 1852 ARG HG2 . 30003 1 1020 . 1 1 89 89 ARG HG3 H 1 1.802 . . 2 . . . 1 A 1852 ARG HG3 . 30003 1 1021 . 1 1 89 89 ARG N N 15 117.831 . . 1 . . . 1 A 1852 ARG N . 30003 1 1022 . 1 1 90 90 GLN CA C 13 56.325 . . 1 . . . 1 A 1853 GLN CA . 30003 1 1023 . 1 1 90 90 GLN CB C 13 29.1868 . . 1 . . . 1 A 1853 GLN CB . 30003 1 1024 . 1 1 90 90 GLN CG C 13 34.0998 . . 1 . . . 1 A 1853 GLN CG . 30003 1 1025 . 1 1 90 90 GLN H H 1 7.971 . . 1 . . . 1 A 1853 GLN H . 30003 1 1026 . 1 1 90 90 GLN HA H 1 4.311 . . 1 . . . 1 A 1853 GLN HA . 30003 1 1027 . 1 1 90 90 GLN HB2 H 1 2.085 . . 2 . . . 1 A 1853 GLN HB2 . 30003 1 1028 . 1 1 90 90 GLN HB3 H 1 2.183 . . 2 . . . 1 A 1853 GLN HB3 . 30003 1 1029 . 1 1 90 90 GLN HE21 H 1 6.778 . . 2 . . . 1 A 1853 GLN HE21 . 30003 1 1030 . 1 1 90 90 GLN HE22 H 1 7.262 . . 2 . . . 1 A 1853 GLN HE22 . 30003 1 1031 . 1 1 90 90 GLN HG2 H 1 2.429 . . 2 . . . 1 A 1853 GLN HG2 . 30003 1 1032 . 1 1 90 90 GLN HG3 H 1 2.429 . . 2 . . . 1 A 1853 GLN HG3 . 30003 1 1033 . 1 1 90 90 GLN N N 15 119.032 . . 1 . . . 1 A 1853 GLN N . 30003 1 1034 . 1 1 90 90 GLN NE2 N 15 111.655 . . 1 . . . 1 A 1853 GLN NE2 . 30003 1 1035 . 1 1 91 91 GLN CA C 13 56.325 . . 1 . . . 1 A 1854 GLN CA . 30003 1 1036 . 1 1 91 91 GLN CB C 13 29.1868 . . 1 . . . 1 A 1854 GLN CB . 30003 1 1037 . 1 1 91 91 GLN CG C 13 34.0998 . . 1 . . . 1 A 1854 GLN CG . 30003 1 1038 . 1 1 91 91 GLN H H 1 8.194 . . 1 . . . 1 A 1854 GLN H . 30003 1 1039 . 1 1 91 91 GLN HA H 1 4.337 . . 1 . . . 1 A 1854 GLN HA . 30003 1 1040 . 1 1 91 91 GLN HB2 H 1 2.073 . . 2 . . . 1 A 1854 GLN HB2 . 30003 1 1041 . 1 1 91 91 GLN HB3 H 1 2.172 . . 2 . . . 1 A 1854 GLN HB3 . 30003 1 1042 . 1 1 91 91 GLN HE21 H 1 6.784 . . 2 . . . 1 A 1854 GLN HE21 . 30003 1 1043 . 1 1 91 91 GLN HE22 H 1 7.447 . . 2 . . . 1 A 1854 GLN HE22 . 30003 1 1044 . 1 1 91 91 GLN HG2 H 1 2.429 . . 2 . . . 1 A 1854 GLN HG2 . 30003 1 1045 . 1 1 91 91 GLN HG3 H 1 2.429 . . 2 . . . 1 A 1854 GLN HG3 . 30003 1 1046 . 1 1 91 91 GLN N N 15 120.404 . . 1 . . . 1 A 1854 GLN N . 30003 1 1047 . 1 1 91 91 GLN NE2 N 15 111.655 . . 1 . . . 1 A 1854 GLN NE2 . 30003 1 1048 . 1 1 92 92 GLN CA C 13 56.559 . . 1 . . . 1 A 1855 GLN CA . 30003 1 1049 . 1 1 92 92 GLN CB C 13 28.9528 . . 1 . . . 1 A 1855 GLN CB . 30003 1 1050 . 1 1 92 92 GLN CG C 13 34.0998 . . 1 . . . 1 A 1855 GLN CG . 30003 1 1051 . 1 1 92 92 GLN H H 1 7.73 . . 1 . . . 1 A 1855 GLN H . 30003 1 1052 . 1 1 92 92 GLN HA H 1 4.256 . . 1 . . . 1 A 1855 GLN HA . 30003 1 1053 . 1 1 92 92 GLN HB2 H 1 2.099 . . 2 . . . 1 A 1855 GLN HB2 . 30003 1 1054 . 1 1 92 92 GLN HB3 H 1 2.185 . . 2 . . . 1 A 1855 GLN HB3 . 30003 1 1055 . 1 1 92 92 GLN HG2 H 1 2.375 . . 2 . . . 1 A 1855 GLN HG2 . 30003 1 1056 . 1 1 92 92 GLN HG3 H 1 2.375 . . 2 . . . 1 A 1855 GLN HG3 . 30003 1 1057 . 1 1 92 92 GLN N N 15 118.002 . . 1 . . . 1 A 1855 GLN N . 30003 1 1058 . 1 1 93 93 GLY CA C 13 45.5638 . . 1 . . . 1 A 2001 GLY CA . 30003 1 1059 . 1 1 93 93 GLY H H 1 8.367 . . 1 . . . 1 A 2001 GLY H . 30003 1 1060 . 1 1 93 93 GLY HA2 H 1 4.027 . . 2 . . . 1 A 2001 GLY HA2 . 30003 1 1061 . 1 1 93 93 GLY HA3 H 1 4.055 . . 2 . . . 1 A 2001 GLY HA3 . 30003 1 1062 . 1 1 93 93 GLY N N 15 109.596 . . 1 . . . 1 A 2001 GLY N . 30003 1 1063 . 1 1 95 95 GLY H H 1 8.42 . . 1 . . . 1 A 2003 GLY H . 30003 1 1064 . 1 1 95 95 GLY N N 15 110.625 . . 1 . . . 1 A 2003 GLY N . 30003 1 1065 . 1 1 97 97 GLY CA C 13 44.1598 . . 1 . . . 1 A 2005 GLY CA . 30003 1 1066 . 1 1 97 97 GLY H H 1 8.483 . . 1 . . . 1 A 2005 GLY H . 30003 1 1067 . 1 1 97 97 GLY HA2 H 1 3.793 . . 2 . . . 1 A 2005 GLY HA2 . 30003 1 1068 . 1 1 97 97 GLY HA3 H 1 4.087 . . 2 . . . 1 A 2005 GLY HA3 . 30003 1 1069 . 1 1 97 97 GLY N N 15 110.797 . . 1 . . . 1 A 2005 GLY N . 30003 1 1070 . 1 1 98 98 SER CA C 13 63.109 . . 1 . . . 1 A 3037 SER CA . 30003 1 1071 . 1 1 98 98 SER HA H 1 4.63 . . 1 . . . 1 A 3037 SER HA . 30003 1 1072 . 1 1 98 98 SER HB2 H 1 3.92 . . 2 . . . 1 A 3037 SER HB2 . 30003 1 1073 . 1 1 98 98 SER HB3 H 1 3.92 . . 2 . . . 1 A 3037 SER HB3 . 30003 1 1074 . 1 1 99 99 GLN CA C 13 56.091 . . 1 . . . 1 A 3038 GLN CA . 30003 1 1075 . 1 1 99 99 GLN CB C 13 29.4208 . . 1 . . . 1 A 3038 GLN CB . 30003 1 1076 . 1 1 99 99 GLN CG C 13 33.8658 . . 1 . . . 1 A 3038 GLN CG . 30003 1 1077 . 1 1 99 99 GLN H H 1 8.39 . . 1 . . . 1 A 3038 GLN H . 30003 1 1078 . 1 1 99 99 GLN HA H 1 4.355 . . 1 . . . 1 A 3038 GLN HA . 30003 1 1079 . 1 1 99 99 GLN HB2 H 1 2.035 . . 2 . . . 1 A 3038 GLN HB2 . 30003 1 1080 . 1 1 99 99 GLN HB3 H 1 2.171 . . 2 . . . 1 A 3038 GLN HB3 . 30003 1 1081 . 1 1 99 99 GLN HE21 H 1 6.781 . . 2 . . . 1 A 3038 GLN HE21 . 30003 1 1082 . 1 1 99 99 GLN HE22 H 1 7.514 . . 2 . . . 1 A 3038 GLN HE22 . 30003 1 1083 . 1 1 99 99 GLN HG2 H 1 2.401 . . 2 . . . 1 A 3038 GLN HG2 . 30003 1 1084 . 1 1 99 99 GLN HG3 H 1 2.401 . . 2 . . . 1 A 3038 GLN HG3 . 30003 1 1085 . 1 1 99 99 GLN N N 15 122.12 . . 1 . . . 1 A 3038 GLN N . 30003 1 1086 . 1 1 99 99 GLN NE2 N 15 112.169 . . 1 . . . 1 A 3038 GLN NE2 . 30003 1 1087 . 1 1 100 100 ALA CA C 13 52.8158 . . 1 . . . 1 A 3039 ALA CA . 30003 1 1088 . 1 1 100 100 ALA CB C 13 19.1276 . . 1 . . . 1 A 3039 ALA CB . 30003 1 1089 . 1 1 100 100 ALA H H 1 8.215 . . 1 . . . 1 A 3039 ALA H . 30003 1 1090 . 1 1 100 100 ALA HA H 1 4.309 . . 1 . . . 1 A 3039 ALA HA . 30003 1 1091 . 1 1 100 100 ALA HB1 H 1 1.419 . . 1 . . . 1 A 3039 ALA HB1 . 30003 1 1092 . 1 1 100 100 ALA HB2 H 1 1.419 . . 1 . . . 1 A 3039 ALA HB2 . 30003 1 1093 . 1 1 100 100 ALA HB3 H 1 1.419 . . 1 . . . 1 A 3039 ALA HB3 . 30003 1 1094 . 1 1 100 100 ALA N N 15 124.178 . . 1 . . . 1 A 3039 ALA N . 30003 1 1095 . 1 1 101 101 MET CA C 13 55.857 . . 1 . . . 1 A 3040 MET CA . 30003 1 1096 . 1 1 101 101 MET CB C 13 32.9218 . . 1 . . . 1 A 3040 MET CB . 30003 1 1097 . 1 1 101 101 MET CE C 13 17.0036 . . 1 . . . 1 A 3040 MET CE . 30003 1 1098 . 1 1 101 101 MET CG C 13 32.2198 . . 1 . . . 1 A 3040 MET CG . 30003 1 1099 . 1 1 101 101 MET H H 1 8.202 . . 1 . . . 1 A 3040 MET H . 30003 1 1100 . 1 1 101 101 MET HA H 1 4.465 . . 1 . . . 1 A 3040 MET HA . 30003 1 1101 . 1 1 101 101 MET HB2 H 1 2.046 . . 2 . . . 1 A 3040 MET HB2 . 30003 1 1102 . 1 1 101 101 MET HB3 H 1 2.129 . . 2 . . . 1 A 3040 MET HB3 . 30003 1 1103 . 1 1 101 101 MET HE1 H 1 2.077 . . 1 . . . 1 A 3040 MET HE1 . 30003 1 1104 . 1 1 101 101 MET HE2 H 1 2.077 . . 1 . . . 1 A 3040 MET HE2 . 30003 1 1105 . 1 1 101 101 MET HE3 H 1 2.077 . . 1 . . . 1 A 3040 MET HE3 . 30003 1 1106 . 1 1 101 101 MET HG2 H 1 2.547 . . 2 . . . 1 A 3040 MET HG2 . 30003 1 1107 . 1 1 101 101 MET HG3 H 1 2.611 . . 2 . . . 1 A 3040 MET HG3 . 30003 1 1108 . 1 1 101 101 MET N N 15 118.174 . . 1 . . . 1 A 3040 MET N . 30003 1 1109 . 1 1 102 102 ASP CA C 13 54.921 . . 1 . . . 1 A 3041 ASP CA . 30003 1 1110 . 1 1 102 102 ASP CB C 13 41.1188 . . 1 . . . 1 A 3041 ASP CB . 30003 1 1111 . 1 1 102 102 ASP H H 1 8.167 . . 1 . . . 1 A 3041 ASP H . 30003 1 1112 . 1 1 102 102 ASP HA H 1 4.555 . . 1 . . . 1 A 3041 ASP HA . 30003 1 1113 . 1 1 102 102 ASP HB2 H 1 2.701 . . 2 . . . 1 A 3041 ASP HB2 . 30003 1 1114 . 1 1 102 102 ASP HB3 H 1 2.701 . . 2 . . . 1 A 3041 ASP HB3 . 30003 1 1115 . 1 1 102 102 ASP N N 15 120.747 . . 1 . . . 1 A 3041 ASP N . 30003 1 1116 . 1 1 103 103 ASP CA C 13 54.4538 . . 1 . . . 1 A 3042 ASP CA . 30003 1 1117 . 1 1 103 103 ASP CB C 13 40.8848 . . 1 . . . 1 A 3042 ASP CB . 30003 1 1118 . 1 1 103 103 ASP H H 1 8.236 . . 1 . . . 1 A 3042 ASP H . 30003 1 1119 . 1 1 103 103 ASP HA H 1 4.542 . . 1 . . . 1 A 3042 ASP HA . 30003 1 1120 . 1 1 103 103 ASP HB2 H 1 2.693 . . 2 . . . 1 A 3042 ASP HB2 . 30003 1 1121 . 1 1 103 103 ASP HB3 H 1 2.739 . . 2 . . . 1 A 3042 ASP HB3 . 30003 1 1122 . 1 1 103 103 ASP N N 15 119.889 . . 1 . . . 1 A 3042 ASP N . 30003 1 1123 . 1 1 104 104 LEU CA C 13 55.857 . . 1 . . . 1 A 3043 LEU CA . 30003 1 1124 . 1 1 104 104 LEU CB C 13 42.7468 . . 1 . . . 1 A 3043 LEU CB . 30003 1 1125 . 1 1 104 104 LEU CD1 C 13 23.5546 . . 2 . . . 1 A 3043 LEU CD1 . 30003 1 1126 . 1 1 104 104 LEU CD2 C 13 25.4348 . . 2 . . . 1 A 3043 LEU CD2 . 30003 1 1127 . 1 1 104 104 LEU CG C 13 27.3068 . . 1 . . . 1 A 3043 LEU CG . 30003 1 1128 . 1 1 104 104 LEU H H 1 8.026 . . 1 . . . 1 A 3043 LEU H . 30003 1 1129 . 1 1 104 104 LEU HA H 1 4.264 . . 1 . . . 1 A 3043 LEU HA . 30003 1 1130 . 1 1 104 104 LEU HB2 H 1 1.601 . . 2 . . . 1 A 3043 LEU HB2 . 30003 1 1131 . 1 1 104 104 LEU HB3 H 1 1.631 . . 2 . . . 1 A 3043 LEU HB3 . 30003 1 1132 . 1 1 104 104 LEU HD11 H 1 0.832 . . 2 . . . 1 A 3043 LEU HD11 . 30003 1 1133 . 1 1 104 104 LEU HD12 H 1 0.832 . . 2 . . . 1 A 3043 LEU HD12 . 30003 1 1134 . 1 1 104 104 LEU HD13 H 1 0.832 . . 2 . . . 1 A 3043 LEU HD13 . 30003 1 1135 . 1 1 104 104 LEU HD21 H 1 0.872 . . 2 . . . 1 A 3043 LEU HD21 . 30003 1 1136 . 1 1 104 104 LEU HD22 H 1 0.872 . . 2 . . . 1 A 3043 LEU HD22 . 30003 1 1137 . 1 1 104 104 LEU HD23 H 1 0.872 . . 2 . . . 1 A 3043 LEU HD23 . 30003 1 1138 . 1 1 104 104 LEU HG H 1 1.603 . . 1 . . . 1 A 3043 LEU HG . 30003 1 1139 . 1 1 104 104 LEU N N 15 121.262 . . 1 . . . 1 A 3043 LEU N . 30003 1 1140 . 1 1 105 105 MET CA C 13 55.623 . . 1 . . . 1 A 3044 MET CA . 30003 1 1141 . 1 1 105 105 MET CB C 13 32.9218 . . 1 . . . 1 A 3044 MET CB . 30003 1 1142 . 1 1 105 105 MET CE C 13 17.0036 . . 1 . . . 1 A 3044 MET CE . 30003 1 1143 . 1 1 105 105 MET CG C 13 32.4538 . . 1 . . . 1 A 3044 MET CG . 30003 1 1144 . 1 1 105 105 MET H H 1 8.048 . . 1 . . . 1 A 3044 MET H . 30003 1 1145 . 1 1 105 105 MET HA H 1 4.417 . . 1 . . . 1 A 3044 MET HA . 30003 1 1146 . 1 1 105 105 MET HB2 H 1 2.046 . . 2 . . . 1 A 3044 MET HB2 . 30003 1 1147 . 1 1 105 105 MET HB3 H 1 2.13 . . 2 . . . 1 A 3044 MET HB3 . 30003 1 1148 . 1 1 105 105 MET HE1 H 1 2.077 . . 1 . . . 1 A 3044 MET HE1 . 30003 1 1149 . 1 1 105 105 MET HE2 H 1 2.077 . . 1 . . . 1 A 3044 MET HE2 . 30003 1 1150 . 1 1 105 105 MET HE3 H 1 2.077 . . 1 . . . 1 A 3044 MET HE3 . 30003 1 1151 . 1 1 105 105 MET HG2 H 1 2.515 . . 2 . . . 1 A 3044 MET HG2 . 30003 1 1152 . 1 1 105 105 MET HG3 H 1 2.695 . . 2 . . . 1 A 3044 MET HG3 . 30003 1 1153 . 1 1 105 105 MET N N 15 118.174 . . 1 . . . 1 A 3044 MET N . 30003 1 1154 . 1 1 106 106 LEU CA C 13 54.4448 . . 1 . . . 1 A 3045 LEU CA . 30003 1 1155 . 1 1 106 106 LEU CB C 13 42.2788 . . 1 . . . 1 A 3045 LEU CB . 30003 1 1156 . 1 1 106 106 LEU CD1 C 13 24.0226 . . 2 . . . 1 A 3045 LEU CD1 . 30003 1 1157 . 1 1 106 106 LEU CD2 C 13 25.2008 . . 2 . . . 1 A 3045 LEU CD2 . 30003 1 1158 . 1 1 106 106 LEU CG C 13 27.0728 . . 1 . . . 1 A 3045 LEU CG . 30003 1 1159 . 1 1 106 106 LEU HA H 1 4.434 . . 1 . . . 1 A 3045 LEU HA . 30003 1 1160 . 1 1 106 106 LEU HB2 H 1 1.56 . . 2 . . . 1 A 3045 LEU HB2 . 30003 1 1161 . 1 1 106 106 LEU HB3 H 1 1.697 . . 2 . . . 1 A 3045 LEU HB3 . 30003 1 1162 . 1 1 106 106 LEU HD11 H 1 0.85 . . 2 . . . 1 A 3045 LEU HD11 . 30003 1 1163 . 1 1 106 106 LEU HD12 H 1 0.85 . . 2 . . . 1 A 3045 LEU HD12 . 30003 1 1164 . 1 1 106 106 LEU HD13 H 1 0.85 . . 2 . . . 1 A 3045 LEU HD13 . 30003 1 1165 . 1 1 106 106 LEU HD21 H 1 0.899 . . 2 . . . 1 A 3045 LEU HD21 . 30003 1 1166 . 1 1 106 106 LEU HD22 H 1 0.899 . . 2 . . . 1 A 3045 LEU HD22 . 30003 1 1167 . 1 1 106 106 LEU HD23 H 1 0.899 . . 2 . . . 1 A 3045 LEU HD23 . 30003 1 1168 . 1 1 106 106 LEU HG H 1 1.69 . . 1 . . . 1 A 3045 LEU HG . 30003 1 1169 . 1 1 107 107 SER CA C 13 55.857 . . 1 . . . 1 A 3046 SER CA . 30003 1 1170 . 1 1 107 107 SER CB C 13 63.811 . . 1 . . . 1 A 3046 SER CB . 30003 1 1171 . 1 1 107 107 SER HA H 1 4.795 . . 1 . . . 1 A 3046 SER HA . 30003 1 1172 . 1 1 107 107 SER HB2 H 1 3.886 . . 2 . . . 1 A 3046 SER HB2 . 30003 1 1173 . 1 1 107 107 SER HB3 H 1 4.031 . . 2 . . . 1 A 3046 SER HB3 . 30003 1 1174 . 1 1 108 108 PRO CA C 13 64.045 . . 1 . . . 1 A 3047 PRO CA . 30003 1 1175 . 1 1 108 108 PRO CB C 13 31.7518 . . 1 . . . 1 A 3047 PRO CB . 30003 1 1176 . 1 1 108 108 PRO CD C 13 50.4678 . . 1 . . . 1 A 3047 PRO CD . 30003 1 1177 . 1 1 108 108 PRO CG C 13 27.0728 . . 1 . . . 1 A 3047 PRO CG . 30003 1 1178 . 1 1 108 108 PRO HA H 1 4.44 . . 1 . . . 1 A 3047 PRO HA . 30003 1 1179 . 1 1 108 108 PRO HB2 H 1 2.026 . . 2 . . . 1 A 3047 PRO HB2 . 30003 1 1180 . 1 1 108 108 PRO HB3 H 1 2.211 . . 2 . . . 1 A 3047 PRO HB3 . 30003 1 1181 . 1 1 108 108 PRO HD2 H 1 3.81 . . 2 . . . 1 A 3047 PRO HD2 . 30003 1 1182 . 1 1 108 108 PRO HD3 H 1 3.88 . . 2 . . . 1 A 3047 PRO HD3 . 30003 1 1183 . 1 1 108 108 PRO HG2 H 1 1.974 . . 2 . . . 1 A 3047 PRO HG2 . 30003 1 1184 . 1 1 108 108 PRO HG3 H 1 1.974 . . 2 . . . 1 A 3047 PRO HG3 . 30003 1 1185 . 1 1 109 109 ASP CA C 13 55.623 . . 1 . . . 1 A 3048 ASP CA . 30003 1 1186 . 1 1 109 109 ASP CB C 13 41.1188 . . 1 . . . 1 A 3048 ASP CB . 30003 1 1187 . 1 1 109 109 ASP H H 1 8.106 . . 1 . . . 1 A 3048 ASP H . 30003 1 1188 . 1 1 109 109 ASP HA H 1 4.428 . . 1 . . . 1 A 3048 ASP HA . 30003 1 1189 . 1 1 109 109 ASP HB2 H 1 2.51 . . 2 . . . 1 A 3048 ASP HB2 . 30003 1 1190 . 1 1 109 109 ASP HB3 H 1 2.653 . . 2 . . . 1 A 3048 ASP HB3 . 30003 1 1191 . 1 1 109 109 ASP N N 15 118.174 . . 1 . . . 1 A 3048 ASP N . 30003 1 1192 . 1 1 110 110 ASP CA C 13 54.6878 . . 1 . . . 1 A 3049 ASP CA . 30003 1 1193 . 1 1 110 110 ASP CB C 13 41.1188 . . 1 . . . 1 A 3049 ASP CB . 30003 1 1194 . 1 1 110 110 ASP H H 1 8.01 . . 1 . . . 1 A 3049 ASP H . 30003 1 1195 . 1 1 110 110 ASP HA H 1 4.549 . . 1 . . . 1 A 3049 ASP HA . 30003 1 1196 . 1 1 110 110 ASP HB2 H 1 2.701 . . 2 . . . 1 A 3049 ASP HB2 . 30003 1 1197 . 1 1 110 110 ASP HB3 H 1 2.701 . . 2 . . . 1 A 3049 ASP HB3 . 30003 1 1198 . 1 1 110 110 ASP N N 15 119.38 . . 1 . . . 1 A 3049 ASP N . 30003 1 1199 . 1 1 111 111 ILE CB C 13 37.8338 . . 1 . . . 1 A 3050 ILE CB . 30003 1 1200 . 1 1 111 111 ILE CD1 C 13 13.7286 . . 1 . . . 1 A 3050 ILE CD1 . 30003 1 1201 . 1 1 111 111 ILE CG1 C 13 28.0088 . . 1 . . . 1 A 3050 ILE CG1 . 30003 1 1202 . 1 1 111 111 ILE CG2 C 13 17.4716 . . 1 . . . 1 A 3050 ILE CG2 . 30003 1 1203 . 1 1 111 111 ILE H H 1 7.457 . . 1 . . . 1 A 3050 ILE H . 30003 1 1204 . 1 1 111 111 ILE HB H 1 1.504 . . 1 . . . 1 A 3050 ILE HB . 30003 1 1205 . 1 1 111 111 ILE HD11 H 1 0.558 . . 1 . . . 1 A 3050 ILE HD11 . 30003 1 1206 . 1 1 111 111 ILE HD12 H 1 0.558 . . 1 . . . 1 A 3050 ILE HD12 . 30003 1 1207 . 1 1 111 111 ILE HD13 H 1 0.558 . . 1 . . . 1 A 3050 ILE HD13 . 30003 1 1208 . 1 1 111 111 ILE HG12 H 1 0.808 . . 2 . . . 1 A 3050 ILE HG12 . 30003 1 1209 . 1 1 111 111 ILE HG13 H 1 1.082 . . 2 . . . 1 A 3050 ILE HG13 . 30003 1 1210 . 1 1 111 111 ILE HG21 H 1 0.538 . . 1 . . . 1 A 3050 ILE HG21 . 30003 1 1211 . 1 1 111 111 ILE HG22 H 1 0.538 . . 1 . . . 1 A 3050 ILE HG22 . 30003 1 1212 . 1 1 111 111 ILE HG23 H 1 0.538 . . 1 . . . 1 A 3050 ILE HG23 . 30003 1 1213 . 1 1 111 111 ILE N N 15 121.09 . . 1 . . . 1 A 3050 ILE N . 30003 1 1214 . 1 1 112 112 GLU CA C 13 58.664 . . 1 . . . 1 A 3051 GLU CA . 30003 1 1215 . 1 1 112 112 GLU CB C 13 29.4208 . . 1 . . . 1 A 3051 GLU CB . 30003 1 1216 . 1 1 112 112 GLU CG C 13 36.9078 . . 1 . . . 1 A 3051 GLU CG . 30003 1 1217 . 1 1 112 112 GLU H H 1 8.086 . . 1 . . . 1 A 3051 GLU H . 30003 1 1218 . 1 1 112 112 GLU HA H 1 4.005 . . 1 . . . 1 A 3051 GLU HA . 30003 1 1219 . 1 1 112 112 GLU HB2 H 1 1.998 . . 2 . . . 1 A 3051 GLU HB2 . 30003 1 1220 . 1 1 112 112 GLU HB3 H 1 2.065 . . 2 . . . 1 A 3051 GLU HB3 . 30003 1 1221 . 1 1 112 112 GLU HG2 H 1 2.224 . . 2 . . . 1 A 3051 GLU HG2 . 30003 1 1222 . 1 1 112 112 GLU HG3 H 1 2.326 . . 2 . . . 1 A 3051 GLU HG3 . 30003 1 1223 . 1 1 112 112 GLU N N 15 119.375 . . 1 . . . 1 A 3051 GLU N . 30003 1 1224 . 1 1 113 113 GLN CA C 13 56.091 . . 1 . . . 1 A 3052 GLN CA . 30003 1 1225 . 1 1 113 113 GLN CB C 13 28.4858 . . 1 . . . 1 A 3052 GLN CB . 30003 1 1226 . 1 1 113 113 GLN CG C 13 33.6318 . . 1 . . . 1 A 3052 GLN CG . 30003 1 1227 . 1 1 113 113 GLN H H 1 7.695 . . 1 . . . 1 A 3052 GLN H . 30003 1 1228 . 1 1 113 113 GLN HA H 1 4.274 . . 1 . . . 1 A 3052 GLN HA . 30003 1 1229 . 1 1 113 113 GLN HB2 H 1 2.018 . . 2 . . . 1 A 3052 GLN HB2 . 30003 1 1230 . 1 1 113 113 GLN HB3 H 1 2.018 . . 2 . . . 1 A 3052 GLN HB3 . 30003 1 1231 . 1 1 113 113 GLN HE21 H 1 6.701 . . 2 . . . 1 A 3052 GLN HE21 . 30003 1 1232 . 1 1 113 113 GLN HE22 H 1 7.475 . . 2 . . . 1 A 3052 GLN HE22 . 30003 1 1233 . 1 1 113 113 GLN HG2 H 1 2.283 . . 2 . . . 1 A 3052 GLN HG2 . 30003 1 1234 . 1 1 113 113 GLN HG3 H 1 2.314 . . 2 . . . 1 A 3052 GLN HG3 . 30003 1 1235 . 1 1 113 113 GLN N N 15 115.6 . . 1 . . . 1 A 3052 GLN N . 30003 1 1236 . 1 1 113 113 GLN NE2 N 15 111.826 . . 1 . . . 1 A 3052 GLN NE2 . 30003 1 1237 . 1 1 114 114 TRP CA C 13 57.261 . . 1 . . . 1 A 3053 TRP CA . 30003 1 1238 . 1 1 114 114 TRP CB C 13 29.1778 . . 1 . . . 1 A 3053 TRP CB . 30003 1 1239 . 1 1 114 114 TRP CD1 C 13 125.5914 . . . . . . 1 A 3053 TRP CD1 . 30003 1 1240 . 1 1 114 114 TRP CE3 C 13 120.9124 . . 1 . . . 1 A 3053 TRP CE3 . 30003 1 1241 . 1 1 114 114 TRP CH2 C 13 123.9534 . . 1 . . . 1 A 3053 TRP CH2 . 30003 1 1242 . 1 1 114 114 TRP CZ2 C 13 114.3532 . . 1 . . . 1 A 3053 TRP CZ2 . 30003 1 1243 . 1 1 114 114 TRP CZ3 C 13 121.3804 . . 1 . . . 1 A 3053 TRP CZ3 . 30003 1 1244 . 1 1 114 114 TRP H H 1 7.666 . . 1 . . . 1 A 3053 TRP H . 30003 1 1245 . 1 1 114 114 TRP HA H 1 4.47 . . 1 . . . 1 A 3053 TRP HA . 30003 1 1246 . 1 1 114 114 TRP HB2 H 1 3.02 . . 2 . . . 1 A 3053 TRP HB2 . 30003 1 1247 . 1 1 114 114 TRP HB3 H 1 3.02 . . 2 . . . 1 A 3053 TRP HB3 . 30003 1 1248 . 1 1 114 114 TRP HD1 H 1 6.961 . . 1 . . . 1 A 3053 TRP HD1 . 30003 1 1249 . 1 1 114 114 TRP HE1 H 1 9.934 . . 1 . . . 1 A 3053 TRP HE1 . 30003 1 1250 . 1 1 114 114 TRP HE3 H 1 7.328 . . 1 . . . 1 A 3053 TRP HE3 . 30003 1 1251 . 1 1 114 114 TRP HH2 H 1 7.052 . . 1 . . . 1 A 3053 TRP HH2 . 30003 1 1252 . 1 1 114 114 TRP HZ2 H 1 7.372 . . 1 . . . 1 A 3053 TRP HZ2 . 30003 1 1253 . 1 1 114 114 TRP HZ3 H 1 7.038 . . 1 . . . 1 A 3053 TRP HZ3 . 30003 1 1254 . 1 1 114 114 TRP N N 15 120.404 . . 1 . . . 1 A 3053 TRP N . 30003 1 1255 . 1 1 114 114 TRP NE1 N 15 127.781 . . 1 . . . 1 A 3053 TRP NE1 . 30003 1 1256 . 1 1 115 115 PHE CA C 13 57.729 . . 1 . . . 1 A 3054 PHE CA . 30003 1 1257 . 1 1 115 115 PHE CB C 13 37.8338 . . 1 . . . 1 A 3054 PHE CB . 30003 1 1258 . 1 1 115 115 PHE CD1 C 13 132.3754 . . 3 . . . 1 A 3054 PHE CD1 . 30003 1 1259 . 1 1 115 115 PHE CE1 C 13 131.2064 . . 3 . . . 1 A 3054 PHE CE1 . 30003 1 1260 . 1 1 115 115 PHE CZ C 13 128.8664 . . 1 . . . 1 A 3054 PHE CZ . 30003 1 1261 . 1 1 115 115 PHE HA H 1 4.56 . . 1 . . . 1 A 3054 PHE HA . 30003 1 1262 . 1 1 115 115 PHE HB2 H 1 3.133 . . 2 . . . 1 A 3054 PHE HB2 . 30003 1 1263 . 1 1 115 115 PHE HB3 H 1 3.261 . . 2 . . . 1 A 3054 PHE HB3 . 30003 1 1264 . 1 1 115 115 PHE HD1 H 1 7.276 . . 3 . . . 1 A 3054 PHE HD1 . 30003 1 1265 . 1 1 115 115 PHE HD2 H 1 7.276 . . 3 . . . 1 A 3054 PHE HD2 . 30003 1 1266 . 1 1 115 115 PHE HE1 H 1 7.372 . . 3 . . . 1 A 3054 PHE HE1 . 30003 1 1267 . 1 1 115 115 PHE HE2 H 1 7.372 . . 3 . . . 1 A 3054 PHE HE2 . 30003 1 1268 . 1 1 115 115 PHE HZ H 1 7.134 . . 1 . . . 1 A 3054 PHE HZ . 30003 1 1269 . 1 1 116 116 THR CA C 13 62.876 . . 1 . . . 1 A 3055 THR CA . 30003 1 1270 . 1 1 116 116 THR CB C 13 69.66 . . 1 . . . 1 A 3055 THR CB . 30003 1 1271 . 1 1 116 116 THR CG2 C 13 22.1506 . . 1 . . . 1 A 3055 THR CG2 . 30003 1 1272 . 1 1 116 116 THR H H 1 7.762 . . 1 . . . 1 A 3055 THR H . 30003 1 1273 . 1 1 116 116 THR HA H 1 4.244 . . 1 . . . 1 A 3055 THR HA . 30003 1 1274 . 1 1 116 116 THR HB H 1 4.283 . . 1 . . . 1 A 3055 THR HB . 30003 1 1275 . 1 1 116 116 THR HG21 H 1 1.234 . . 1 . . . 1 A 3055 THR HG21 . 30003 1 1276 . 1 1 116 116 THR HG22 H 1 1.234 . . 1 . . . 1 A 3055 THR HG22 . 30003 1 1277 . 1 1 116 116 THR HG23 H 1 1.234 . . 1 . . . 1 A 3055 THR HG23 . 30003 1 1278 . 1 1 116 116 THR N N 15 112.341 . . 1 . . . 1 A 3055 THR N . 30003 1 1279 . 1 1 117 117 GLU CA C 13 55.857 . . 1 . . . 1 A 3056 GLU CA . 30003 1 1280 . 1 1 117 117 GLU CB C 13 30.5908 . . 1 . . . 1 A 3056 GLU CB . 30003 1 1281 . 1 1 117 117 GLU CG C 13 36.2058 . . 1 . . . 1 A 3056 GLU CG . 30003 1 1282 . 1 1 117 117 GLU H H 1 8.152 . . 1 . . . 1 A 3056 GLU H . 30003 1 1283 . 1 1 117 117 GLU HA H 1 4.336 . . 1 . . . 1 A 3056 GLU HA . 30003 1 1284 . 1 1 117 117 GLU HB2 H 1 1.916 . . 2 . . . 1 A 3056 GLU HB2 . 30003 1 1285 . 1 1 117 117 GLU HB3 H 1 2.002 . . 2 . . . 1 A 3056 GLU HB3 . 30003 1 1286 . 1 1 117 117 GLU HG2 H 1 2.233 . . 2 . . . 1 A 3056 GLU HG2 . 30003 1 1287 . 1 1 117 117 GLU HG3 H 1 2.267 . . 2 . . . 1 A 3056 GLU HG3 . 30003 1 1288 . 1 1 117 117 GLU N N 15 121.948 . . 1 . . . 1 A 3056 GLU N . 30003 1 1289 . 1 1 118 118 ASP CA C 13 52.1138 . . 1 . . . 1 A 3057 ASP CA . 30003 1 1290 . 1 1 118 118 ASP CB C 13 41.5868 . . 1 . . . 1 A 3057 ASP CB . 30003 1 1291 . 1 1 118 118 ASP H H 1 8.396 . . 1 . . . 1 A 3057 ASP H . 30003 1 1292 . 1 1 118 118 ASP HA H 1 4.779 . . 1 . . . 1 A 3057 ASP HA . 30003 1 1293 . 1 1 118 118 ASP HB2 H 1 2.542 . . 2 . . . 1 A 3057 ASP HB2 . 30003 1 1294 . 1 1 118 118 ASP HB3 H 1 2.733 . . 2 . . . 1 A 3057 ASP HB3 . 30003 1 1295 . 1 1 118 118 ASP N N 15 122.977 . . 1 . . . 1 A 3057 ASP N . 30003 1 1296 . 1 1 119 119 PRO CA C 13 63.343 . . 1 . . . 1 A 3058 PRO CA . 30003 1 1297 . 1 1 119 119 PRO CB C 13 32.2198 . . 1 . . . 1 A 3058 PRO CB . 30003 1 1298 . 1 1 119 119 PRO CD C 13 50.4678 . . 1 . . . 1 A 3058 PRO CD . 30003 1 1299 . 1 1 119 119 PRO CG C 13 26.8388 . . 1 . . . 1 A 3058 PRO CG . 30003 1 1300 . 1 1 119 119 PRO HA H 1 4.419 . . 1 . . . 1 A 3058 PRO HA . 30003 1 1301 . 1 1 119 119 PRO HB2 H 1 1.903 . . 2 . . . 1 A 3058 PRO HB2 . 30003 1 1302 . 1 1 119 119 PRO HB3 H 1 2.096 . . 2 . . . 1 A 3058 PRO HB3 . 30003 1 1303 . 1 1 119 119 PRO HD2 H 1 3.826 . . 2 . . . 1 A 3058 PRO HD2 . 30003 1 1304 . 1 1 119 119 PRO HD3 H 1 3.826 . . 2 . . . 1 A 3058 PRO HD3 . 30003 1 1305 . 1 1 119 119 PRO HG2 H 1 1.866 . . 2 . . . 1 A 3058 PRO HG2 . 30003 1 1306 . 1 1 119 119 PRO HG3 H 1 1.976 . . 2 . . . 1 A 3058 PRO HG3 . 30003 1 1307 . 1 1 120 120 GLY CA C 13 44.3938 . . 1 . . . 1 A 3059 GLY CA . 30003 1 1308 . 1 1 120 120 GLY H H 1 8.249 . . 1 . . . 1 A 3059 GLY H . 30003 1 1309 . 1 1 120 120 GLY HA2 H 1 4.048 . . 2 . . . 1 A 3059 GLY HA2 . 30003 1 1310 . 1 1 120 120 GLY HA3 H 1 4.178 . . 2 . . . 1 A 3059 GLY HA3 . 30003 1 1311 . 1 1 120 120 GLY N N 15 108.395 . . 1 . . . 1 A 3059 GLY N . 30003 1 1312 . 1 1 121 121 PRO CA C 13 63.343 . . 1 . . . 1 A 3060 PRO CA . 30003 1 1313 . 1 1 121 121 PRO CB C 13 32.2198 . . 1 . . . 1 A 3060 PRO CB . 30003 1 1314 . 1 1 121 121 PRO CD C 13 49.7658 . . 1 . . . 1 A 3060 PRO CD . 30003 1 1315 . 1 1 121 121 PRO CG C 13 26.8388 . . 1 . . . 1 A 3060 PRO CG . 30003 1 1316 . 1 1 121 121 PRO HA H 1 4.511 . . 1 . . . 1 A 3060 PRO HA . 30003 1 1317 . 1 1 121 121 PRO HB2 H 1 2.062 . . 2 . . . 1 A 3060 PRO HB2 . 30003 1 1318 . 1 1 121 121 PRO HB3 H 1 2.238 . . 2 . . . 1 A 3060 PRO HB3 . 30003 1 1319 . 1 1 121 121 PRO HD2 H 1 3.61 . . 2 . . . 1 A 3060 PRO HD2 . 30003 1 1320 . 1 1 121 121 PRO HD3 H 1 3.703 . . 2 . . . 1 A 3060 PRO HD3 . 30003 1 1321 . 1 1 121 121 PRO HG2 H 1 2.029 . . 2 . . . 1 A 3060 PRO HG2 . 30003 1 1322 . 1 1 121 121 PRO HG3 H 1 2.029 . . 2 . . . 1 A 3060 PRO HG3 . 30003 1 1323 . 1 1 122 122 ASP CA C 13 55.857 . . 1 . . . 1 A 3061 ASP CA . 30003 1 1324 . 1 1 122 122 ASP CB C 13 42.2878 . . 1 . . . 1 A 3061 ASP CB . 30003 1 1325 . 1 1 122 122 ASP H H 1 7.912 . . 1 . . . 1 A 3061 ASP H . 30003 1 1326 . 1 1 122 122 ASP HA H 1 4.401 . . 1 . . . 1 A 3061 ASP HA . 30003 1 1327 . 1 1 122 122 ASP HB2 H 1 2.605 . . 2 . . . 1 A 3061 ASP HB2 . 30003 1 1328 . 1 1 122 122 ASP HB3 H 1 2.717 . . 2 . . . 1 A 3061 ASP HB3 . 30003 1 1329 . 1 1 122 122 ASP N N 15 125.379 . . 1 . . . 1 A 3061 ASP N . 30003 1 stop_ save_